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(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000006904700 182293993 /nfs/dbraw/zinc/29/39/93/182293993.db2.gz XHQCQIFGYFFVQD-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000006904701 182329551 /nfs/dbraw/zinc/32/95/51/182329551.db2.gz XHQCQIFGYFFVQD-ZJUUUORDSA-N 2 0 211.309 -0.146 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000011754918 346878720 /nfs/dbraw/zinc/87/87/20/346878720.db2.gz XKMJOWXYNYNFMQ-QMMMGPOBSA-N 2 0 219.354 -0.255 20 0 BBADRP C[NH+](C)CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000019477674 633785328 /nfs/dbraw/zinc/78/53/28/633785328.db2.gz TVSVOYQWDCKVNB-SECBINFHSA-N 2 0 235.353 -0.781 20 0 BBADRP C[NH+](C)CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000019477676 633783165 /nfs/dbraw/zinc/78/31/65/633783165.db2.gz TVSVOYQWDCKVNB-VIFPVBQESA-N 2 0 235.353 -0.781 20 0 BBADRP CC[NH+]1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC000019512223 356484317 /nfs/dbraw/zinc/48/43/17/356484317.db2.gz UIBJEYWKQXSMLO-UHFFFAOYSA-N 2 0 240.351 -0.944 20 0 BBADRP C[NH2+]CC(=O)NCC(C)(C)C[NH+](C)C ZINC000019519134 173327725 /nfs/dbraw/zinc/32/77/25/173327725.db2.gz GOMRBZDGRYVZGQ-UHFFFAOYSA-N 2 0 201.314 -0.090 20 0 BBADRP CCN(CC)C(=O)CN1CCN(CC[NH3+])CC1 ZINC000019688098 356483961 /nfs/dbraw/zinc/48/39/61/356483961.db2.gz JFOKVIMCEBOUBF-UHFFFAOYSA-N 2 0 242.367 -0.569 20 0 BBADRP C[N@H+](CCC[NH3+])CCN1CCOCC1 ZINC000019840666 487586900 /nfs/dbraw/zinc/58/69/00/487586900.db2.gz OOGPDSBUYANLLS-UHFFFAOYSA-N 2 0 201.314 -0.401 20 0 BBADRP [NH3+]CC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000019843239 181365455 /nfs/dbraw/zinc/36/54/55/181365455.db2.gz VOPUPUSWIJBYQN-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC1CC[NH+](CCN2CCOCC2)CC1 ZINC000019843257 181364768 /nfs/dbraw/zinc/36/47/68/181364768.db2.gz SILHVSVETJZWLK-UHFFFAOYSA-N 2 0 227.352 -0.011 20 0 BBADRP [NH3+]C[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000019843442 386787054 /nfs/dbraw/zinc/78/70/54/386787054.db2.gz NHLTVVWOUCVWBB-LBPRGKRZSA-N 2 0 227.352 -0.011 20 0 BBADRP [NH3+]C[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000019843443 386787416 /nfs/dbraw/zinc/78/74/16/386787416.db2.gz NHLTVVWOUCVWBB-GFCCVEGCSA-N 2 0 227.352 -0.011 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000020217822 173012073 /nfs/dbraw/zinc/01/20/73/173012073.db2.gz ZXIGMKRNIFWUKD-JTQLQIEISA-N 2 0 211.309 -0.098 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000020217823 173013898 /nfs/dbraw/zinc/01/38/98/173013898.db2.gz ZXIGMKRNIFWUKD-SNVBAGLBSA-N 2 0 211.309 -0.098 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020433858 169778747 /nfs/dbraw/zinc/77/87/47/169778747.db2.gz GCQZZIKOSPBPOY-ZJUUUORDSA-N 2 0 229.324 -0.833 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020433859 343305942 /nfs/dbraw/zinc/30/59/42/343305942.db2.gz GCQZZIKOSPBPOY-NXEZZACHSA-N 2 0 229.324 -0.833 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020433860 343305541 /nfs/dbraw/zinc/30/55/41/343305541.db2.gz GCQZZIKOSPBPOY-UWVGGRQHSA-N 2 0 229.324 -0.833 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020433861 343305740 /nfs/dbraw/zinc/30/57/40/343305740.db2.gz GCQZZIKOSPBPOY-VHSXEESVSA-N 2 0 229.324 -0.833 20 0 BBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020433986 386795045 /nfs/dbraw/zinc/79/50/45/386795045.db2.gz OPKRNCGYZOETQG-ZJUUUORDSA-N 2 0 243.351 -0.587 20 0 BBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020433987 172422427 /nfs/dbraw/zinc/42/24/27/172422427.db2.gz OPKRNCGYZOETQG-NXEZZACHSA-N 2 0 243.351 -0.587 20 0 BBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020433988 386795055 /nfs/dbraw/zinc/79/50/55/386795055.db2.gz OPKRNCGYZOETQG-UWVGGRQHSA-N 2 0 243.351 -0.587 20 0 BBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020433989 386793234 /nfs/dbraw/zinc/79/32/34/386793234.db2.gz OPKRNCGYZOETQG-VHSXEESVSA-N 2 0 243.351 -0.587 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434316 169774174 /nfs/dbraw/zinc/77/41/74/169774174.db2.gz UAKULBBFXRNAQR-MNOVXSKESA-N 2 0 243.351 -0.443 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020434317 357008126 /nfs/dbraw/zinc/00/81/26/357008126.db2.gz UAKULBBFXRNAQR-GHMZBOCLSA-N 2 0 243.351 -0.443 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020434318 357008063 /nfs/dbraw/zinc/00/80/63/357008063.db2.gz UAKULBBFXRNAQR-QWRGUYRKSA-N 2 0 243.351 -0.443 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020434319 357007989 /nfs/dbraw/zinc/00/79/89/357007989.db2.gz UAKULBBFXRNAQR-WDEREUQCSA-N 2 0 243.351 -0.443 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434387 343305954 /nfs/dbraw/zinc/30/59/54/343305954.db2.gz GXIKQGHXZNNABY-MXWKQRLJSA-N 2 0 241.335 -0.690 20 0 BBADRP CC[NH+](CC)CCNC(=O)CN1CC[NH2+]CC1 ZINC000020521291 385218208 /nfs/dbraw/zinc/21/82/08/385218208.db2.gz BSEHAXJJEGAIMS-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP C[N@@H+]1CCCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000020521353 173011324 /nfs/dbraw/zinc/01/13/24/173011324.db2.gz USWTTYGCEZOTAM-UHFFFAOYSA-N 2 0 240.351 -0.944 20 0 BBADRP O[C@H](CN1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000026476057 183176219 /nfs/dbraw/zinc/17/62/19/183176219.db2.gz JJNXUOGCDMFBMI-NSHDSACASA-N 2 0 213.325 -0.652 20 0 BBADRP O[C@@H](CN1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000026476062 183220243 /nfs/dbraw/zinc/22/02/43/183220243.db2.gz JJNXUOGCDMFBMI-LLVKDONJSA-N 2 0 213.325 -0.652 20 0 BBADRP C[NH+]1CCN(c2ccc(NC(=O)C[NH3+])nc2)CC1 ZINC000031961964 641702196 /nfs/dbraw/zinc/70/21/96/641702196.db2.gz KWHSTAZYXUWQKW-UHFFFAOYSA-N 2 0 249.318 -0.269 20 0 BBADRP C[NH+]1CCN(c2ccc(NC(=O)C[NH3+])cn2)CC1 ZINC000031962885 536422797 /nfs/dbraw/zinc/42/27/97/536422797.db2.gz YYMDLPUJNYXPRY-UHFFFAOYSA-N 2 0 249.318 -0.269 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994006 384194113 /nfs/dbraw/zinc/19/41/13/384194113.db2.gz OBQHYWDFFAYVIW-LLVKDONJSA-N 2 0 211.309 -0.240 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994009 172415611 /nfs/dbraw/zinc/41/56/11/172415611.db2.gz OBQHYWDFFAYVIW-NSHDSACASA-N 2 0 211.309 -0.240 20 0 BBADRP CC[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000032010040 343909030 /nfs/dbraw/zinc/90/90/30/343909030.db2.gz LGUOZCMHNLUPOL-UHFFFAOYSA-N 2 0 201.314 -0.401 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000032021282 343141859 /nfs/dbraw/zinc/14/18/59/343141859.db2.gz NBNIWEAVESADQO-MRVPVSSYSA-N 2 0 217.338 -0.501 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000032021284 343141947 /nfs/dbraw/zinc/14/19/47/343141947.db2.gz NBNIWEAVESADQO-QMMMGPOBSA-N 2 0 217.338 -0.501 20 0 BBADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000034268065 387118537 /nfs/dbraw/zinc/11/85/37/387118537.db2.gz KDUJEEDIWUCXHH-GFCCVEGCSA-N 2 0 233.315 -0.012 20 0 BBADRP CS(=O)(=O)NCC[NH+]1CCC(C[NH3+])CC1 ZINC000034556783 386444369 /nfs/dbraw/zinc/44/43/69/386444369.db2.gz WOWBWHAEKZIKSE-UHFFFAOYSA-N 2 0 235.353 -0.794 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])CCSC ZINC000034638913 358451984 /nfs/dbraw/zinc/45/19/84/358451984.db2.gz WZEPJMAPDAJGBD-QMMMGPOBSA-N 2 0 219.354 -0.208 20 0 BBADRP O=C(NCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000035206149 182184594 /nfs/dbraw/zinc/18/45/94/182184594.db2.gz HOIALXZTPARZLK-JTQLQIEISA-N 2 0 211.309 -0.050 20 0 BBADRP O=C(NCC[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000035206150 182185263 /nfs/dbraw/zinc/18/52/63/182185263.db2.gz HOIALXZTPARZLK-SNVBAGLBSA-N 2 0 211.309 -0.050 20 0 BBADRP C[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000035222812 173327781 /nfs/dbraw/zinc/32/77/81/173327781.db2.gz PPSFFVURLAWXFD-UHFFFAOYSA-N 2 0 211.309 -0.051 20 0 BBADRP CCOCC[NH+]1CCN(CCC[NH3+])CC1 ZINC000035358883 357985354 /nfs/dbraw/zinc/98/53/54/357985354.db2.gz VXGIDEOJYVVHFR-UHFFFAOYSA-N 2 0 215.341 -0.011 20 0 BBADRP CCOCC[NH+]1CCN(CC[NH3+])CC1 ZINC000035358885 384410514 /nfs/dbraw/zinc/41/05/14/384410514.db2.gz YYUHPYDCMONPHF-UHFFFAOYSA-N 2 0 201.314 -0.401 20 0 BBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CCO)CC1 ZINC000035609632 171369980 /nfs/dbraw/zinc/36/99/80/171369980.db2.gz DTDVTWQZRCUCSS-WDEREUQCSA-N 2 0 243.351 -0.504 20 0 BBADRP O=C([C@@H]1CCCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000035738385 342891246 /nfs/dbraw/zinc/89/12/46/342891246.db2.gz PAQZKTDJZLBHBG-JTQLQIEISA-N 2 0 211.309 -0.050 20 0 BBADRP O=C([C@H]1CCCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000035738386 342891275 /nfs/dbraw/zinc/89/12/75/342891275.db2.gz PAQZKTDJZLBHBG-SNVBAGLBSA-N 2 0 211.309 -0.050 20 0 BBADRP O=C([C@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000035738387 358948581 /nfs/dbraw/zinc/94/85/81/358948581.db2.gz SANACAWSRJNBMI-JTQLQIEISA-N 2 0 211.309 -0.192 20 0 BBADRP O=C([C@@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000035738388 358948768 /nfs/dbraw/zinc/94/87/68/358948768.db2.gz SANACAWSRJNBMI-SNVBAGLBSA-N 2 0 211.309 -0.192 20 0 BBADRP CN(CCN1C(=O)CCC1=O)C1CC[NH2+]CC1 ZINC000036300348 342809069 /nfs/dbraw/zinc/80/90/69/342809069.db2.gz LXMJLPQTJJTILT-UHFFFAOYSA-N 2 0 239.319 -0.181 20 0 BBADRP CNC(=O)NC(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000036300350 173285926 /nfs/dbraw/zinc/28/59/26/173285926.db2.gz GGXHHNOKXVKHSV-UHFFFAOYSA-N 2 0 242.323 -0.484 20 0 BBADRP C[N@H+](CCC(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000036300354 342809012 /nfs/dbraw/zinc/80/90/12/342809012.db2.gz PEPKZHVJKKDYPO-UHFFFAOYSA-N 2 0 228.296 -0.745 20 0 BBADRP CNC(=O)NC(=O)CC[NH+]1CCC([NH3+])CC1 ZINC000036754360 173286093 /nfs/dbraw/zinc/28/60/93/173286093.db2.gz CBTCLJUEQMOKDL-UHFFFAOYSA-N 2 0 228.296 -0.745 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000036907014 342994086 /nfs/dbraw/zinc/99/40/86/342994086.db2.gz GXIKQGHXZNNABY-VWYCJHECSA-N 2 0 241.335 -0.690 20 0 BBADRP [NH3+]C[C@@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000036964092 387558673 /nfs/dbraw/zinc/55/86/73/387558673.db2.gz SNNAXVJAHFWIQO-LBPRGKRZSA-N 2 0 227.352 -0.011 20 0 BBADRP [NH3+]C[C@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000036964093 385235338 /nfs/dbraw/zinc/23/53/38/385235338.db2.gz SNNAXVJAHFWIQO-GFCCVEGCSA-N 2 0 227.352 -0.011 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023873 173331848 /nfs/dbraw/zinc/33/18/48/173331848.db2.gz XJPRSTSLSDBNDD-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023875 173333095 /nfs/dbraw/zinc/33/30/95/173333095.db2.gz XJPRSTSLSDBNDD-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP COCC[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037838 358063699 /nfs/dbraw/zinc/06/36/99/358063699.db2.gz MWCMOYFMWMYRLR-UHFFFAOYSA-N 2 0 201.314 -0.401 20 0 BBADRP [NH3+]CCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037039581 181391970 /nfs/dbraw/zinc/39/19/70/181391970.db2.gz FIJKRGUQMXUFIJ-LLVKDONJSA-N 2 0 213.325 -0.258 20 0 BBADRP [NH3+]CCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037039582 181392369 /nfs/dbraw/zinc/39/23/69/181392369.db2.gz FIJKRGUQMXUFIJ-NSHDSACASA-N 2 0 213.325 -0.258 20 0 BBADRP CC[NH+]1CCN(CC(=O)N(C)CCC[NH3+])CC1 ZINC000037050045 398300474 /nfs/dbraw/zinc/30/04/74/398300474.db2.gz VBEZFSRSQLQPIS-UHFFFAOYSA-N 2 0 242.367 -0.569 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037267605 342926767 /nfs/dbraw/zinc/92/67/67/342926767.db2.gz CTKOQUCCGNCLFH-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000037267606 342926834 /nfs/dbraw/zinc/92/68/34/342926834.db2.gz CTKOQUCCGNCLFH-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000037267875 172991114 /nfs/dbraw/zinc/99/11/14/172991114.db2.gz UISPCVUCGGDRGZ-UHFFFAOYSA-N 2 0 240.351 -0.898 20 0 BBADRP C[C@H]([NH3+])C(=O)NCCCN1CCOCC1 ZINC000037393605 342930148 /nfs/dbraw/zinc/93/01/48/342930148.db2.gz KWKXITFAGJFTTF-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP C[C@@H]([NH3+])C(=O)NCCCN1CCOCC1 ZINC000037393606 342930035 /nfs/dbraw/zinc/93/00/35/342930035.db2.gz KWKXITFAGJFTTF-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037467267 182166493 /nfs/dbraw/zinc/16/64/93/182166493.db2.gz ZKZMCOPLIWZNMY-QWRGUYRKSA-N 2 0 241.335 -0.689 20 0 BBADRP O=C(NCCC[NH+]1CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037467269 182166479 /nfs/dbraw/zinc/16/64/79/182166479.db2.gz ZKZMCOPLIWZNMY-WDEREUQCSA-N 2 0 241.335 -0.689 20 0 BBADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037467271 182166444 /nfs/dbraw/zinc/16/64/44/182166444.db2.gz ZKZMCOPLIWZNMY-MNOVXSKESA-N 2 0 241.335 -0.689 20 0 BBADRP O=C(NCCC[NH+]1CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037467273 182166452 /nfs/dbraw/zinc/16/64/52/182166452.db2.gz ZKZMCOPLIWZNMY-GHMZBOCLSA-N 2 0 241.335 -0.689 20 0 BBADRP C[N@@H+]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000037476915 173011729 /nfs/dbraw/zinc/01/17/29/173011729.db2.gz VISLHTOKAQBUEU-UHFFFAOYSA-N 2 0 211.309 -0.098 20 0 BBADRP C[NH+]1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000037476949 358071310 /nfs/dbraw/zinc/07/13/10/358071310.db2.gz DGRTVOMARKXCOP-UHFFFAOYSA-N 2 0 211.309 -0.051 20 0 BBADRP O=C(C[NH2+]C1CC1)NCC[NH+]1CCCC1 ZINC000037476961 398327622 /nfs/dbraw/zinc/32/76/22/398327622.db2.gz AJIXRANISWUYJI-UHFFFAOYSA-N 2 0 211.309 -0.050 20 0 BBADRP O=C(CC[NH2+]C1CC1)N1CCC[NH2+]CC1 ZINC000037478339 358071742 /nfs/dbraw/zinc/07/17/42/358071742.db2.gz IZUHQESJAJDIOR-UHFFFAOYSA-N 2 0 211.309 -0.050 20 0 BBADRP O=C(C[NH2+]CC1CC1)N1CCC[NH2+]CC1 ZINC000037478340 342937177 /nfs/dbraw/zinc/93/71/77/342937177.db2.gz LOELFDGBIDDPEH-UHFFFAOYSA-N 2 0 211.309 -0.192 20 0 BBADRP O=C(C[NH2+]C1CCCC1)N1CC[NH2+]CC1 ZINC000037482117 358072718 /nfs/dbraw/zinc/07/27/18/358072718.db2.gz XYZFPIBULIWJEI-UHFFFAOYSA-N 2 0 211.309 -0.050 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CSCN2)C1 ZINC000037484877 173116327 /nfs/dbraw/zinc/11/63/27/173116327.db2.gz XPAMOADRKUVGPW-IUCAKERBSA-N 2 0 229.349 -0.283 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000037484878 173145501 /nfs/dbraw/zinc/14/55/01/173145501.db2.gz KOORCHOBTFNSLO-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000037484879 173114488 /nfs/dbraw/zinc/11/44/88/173114488.db2.gz KOORCHOBTFNSLO-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000037484926 358073211 /nfs/dbraw/zinc/07/32/11/358073211.db2.gz WDUMQEPJPSAGNG-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000037484927 358072526 /nfs/dbraw/zinc/07/25/26/358072526.db2.gz WDUMQEPJPSAGNG-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+]CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485357 181367780 /nfs/dbraw/zinc/36/77/80/181367780.db2.gz CRKOMXACROPLEU-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485358 181367867 /nfs/dbraw/zinc/36/78/67/181367867.db2.gz CRKOMXACROPLEU-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485359 342938008 /nfs/dbraw/zinc/93/80/08/342938008.db2.gz JRWVFUCAPOZWQX-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485360 342937941 /nfs/dbraw/zinc/93/79/41/342937941.db2.gz JRWVFUCAPOZWQX-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485361 342937989 /nfs/dbraw/zinc/93/79/89/342937989.db2.gz JRWVFUCAPOZWQX-DTWKUNHWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485362 342938033 /nfs/dbraw/zinc/93/80/33/342938033.db2.gz JRWVFUCAPOZWQX-RKDXNWHRSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485365 173330614 /nfs/dbraw/zinc/33/06/14/173330614.db2.gz HKKSKAFVSCQWHI-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485366 173329892 /nfs/dbraw/zinc/32/98/92/173329892.db2.gz HKKSKAFVSCQWHI-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037497979 173083359 /nfs/dbraw/zinc/08/33/59/173083359.db2.gz VMBJSYOJHXECEM-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000037497980 173081904 /nfs/dbraw/zinc/08/19/04/173081904.db2.gz VMBJSYOJHXECEM-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP O=C(CN1CC[NH2+]CC1)NCC[NH+]1CCCC1 ZINC000037631220 398333321 /nfs/dbraw/zinc/33/33/21/398333321.db2.gz BHHPOXROXVQFFY-UHFFFAOYSA-N 2 0 240.351 -0.896 20 0 BBADRP CC(C)[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000037632041 358084821 /nfs/dbraw/zinc/08/48/21/358084821.db2.gz MYPKPWNATWLNFM-UHFFFAOYSA-N 2 0 240.395 -0.082 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760027 712754927 /nfs/dbraw/zinc/75/49/27/712754927.db2.gz FICMFSGUNZNSHB-NSHDSACASA-N 2 0 242.367 -0.667 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760063 358477455 /nfs/dbraw/zinc/47/74/55/358477455.db2.gz RVDSSLMKEAHTAF-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000037760064 169389963 /nfs/dbraw/zinc/38/99/63/169389963.db2.gz RVDSSLMKEAHTAF-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP CC(C)[NH2+]CC(=O)NCCN1CC[NH+](C)CC1 ZINC000037760071 167098519 /nfs/dbraw/zinc/09/85/19/167098519.db2.gz BYVILCNRAFVSTQ-UHFFFAOYSA-N 2 0 242.367 -0.652 20 0 BBADRP C[NH+]1CCN(CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000037760072 358093701 /nfs/dbraw/zinc/09/37/01/358093701.db2.gz TWUXJWLDEMVXQS-UHFFFAOYSA-N 2 0 240.351 -0.898 20 0 BBADRP O=C([C@@H]1CSCN1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812569 344590665 /nfs/dbraw/zinc/59/06/65/344590665.db2.gz PMKSUOBZDPXDFK-ZJUUUORDSA-N 2 0 241.360 -0.045 20 0 BBADRP O=C([C@@H]1CSCN1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037812570 344590902 /nfs/dbraw/zinc/59/09/02/344590902.db2.gz PMKSUOBZDPXDFK-UWVGGRQHSA-N 2 0 241.360 -0.045 20 0 BBADRP [NH3+]CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816795 181366694 /nfs/dbraw/zinc/36/66/94/181366694.db2.gz ARZDNPZKODHNQQ-UHFFFAOYSA-N 2 0 211.309 -0.111 20 0 BBADRP C[NH2+]CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816816 173327115 /nfs/dbraw/zinc/32/71/15/173327115.db2.gz KSGICOFQGKSDRG-UHFFFAOYSA-N 2 0 211.309 -0.240 20 0 BBADRP [NH3+]CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000037820616 181348849 /nfs/dbraw/zinc/34/88/49/181348849.db2.gz MIKVFOIPHCYGFL-UHFFFAOYSA-N 2 0 241.335 -0.484 20 0 BBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[NH3+] ZINC000037825465 387567368 /nfs/dbraw/zinc/56/73/68/387567368.db2.gz AHUJYUIQBPOGGM-UHFFFAOYSA-N 3 0 244.383 -0.323 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000037826848 174307087 /nfs/dbraw/zinc/30/70/87/174307087.db2.gz WIOWTYLRMWWTES-UHFFFAOYSA-N 2 0 215.297 -0.874 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000037826856 358095051 /nfs/dbraw/zinc/09/50/51/358095051.db2.gz OJIOBCNCVRPGFZ-UHFFFAOYSA-N 2 0 229.324 -0.484 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000037826861 174306799 /nfs/dbraw/zinc/30/67/99/174306799.db2.gz NOHZCSXWFARZCP-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037826862 174306363 /nfs/dbraw/zinc/30/63/63/174306363.db2.gz NOHZCSXWFARZCP-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000037826870 174307232 /nfs/dbraw/zinc/30/72/32/174307232.db2.gz AYVIDWFHEGHLPT-UHFFFAOYSA-N 2 0 243.351 -0.094 20 0 BBADRP C[NH2+]CC(=O)N1CCC[N@H+](CCOC)CC1 ZINC000037826873 173326445 /nfs/dbraw/zinc/32/64/45/173326445.db2.gz XWPZSROZNARAFW-UHFFFAOYSA-N 2 0 229.324 -0.614 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000037826879 388648036 /nfs/dbraw/zinc/64/80/36/388648036.db2.gz FKQNMKJDLJLQMO-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000037826880 398334777 /nfs/dbraw/zinc/33/47/77/398334777.db2.gz FKQNMKJDLJLQMO-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000037826885 174307207 /nfs/dbraw/zinc/30/72/07/174307207.db2.gz XWKGUBWTXUCYSO-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000037826886 174307324 /nfs/dbraw/zinc/30/73/24/174307324.db2.gz XWKGUBWTXUCYSO-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP CC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859701 370916918 /nfs/dbraw/zinc/91/69/18/370916918.db2.gz NKQMYKBQVJASKU-QWRGUYRKSA-N 2 0 216.325 -0.196 20 0 BBADRP CC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859702 370914537 /nfs/dbraw/zinc/91/45/37/370914537.db2.gz NKQMYKBQVJASKU-MNOVXSKESA-N 2 0 216.325 -0.196 20 0 BBADRP CC[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859703 370914831 /nfs/dbraw/zinc/91/48/31/370914831.db2.gz NKQMYKBQVJASKU-WDEREUQCSA-N 2 0 216.325 -0.196 20 0 BBADRP CC[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859704 370914899 /nfs/dbraw/zinc/91/48/99/370914899.db2.gz NKQMYKBQVJASKU-GHMZBOCLSA-N 2 0 216.325 -0.196 20 0 BBADRP C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859745 358095675 /nfs/dbraw/zinc/09/56/75/358095675.db2.gz KUPBMIIISISFHU-UWVGGRQHSA-N 2 0 202.298 -0.587 20 0 BBADRP C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859746 398334910 /nfs/dbraw/zinc/33/49/10/398334910.db2.gz KUPBMIIISISFHU-ZJUUUORDSA-N 2 0 202.298 -0.587 20 0 BBADRP C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859747 358095587 /nfs/dbraw/zinc/09/55/87/358095587.db2.gz KUPBMIIISISFHU-VHSXEESVSA-N 2 0 202.298 -0.587 20 0 BBADRP C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859748 398335003 /nfs/dbraw/zinc/33/50/03/398335003.db2.gz KUPBMIIISISFHU-NXEZZACHSA-N 2 0 202.298 -0.587 20 0 BBADRP C[NH+](C)C[C@@H](O)CNC1CC[NH+](C)CC1 ZINC000037887412 385322037 /nfs/dbraw/zinc/32/20/37/385322037.db2.gz JFPISVANWBGKRW-NSHDSACASA-N 2 0 215.341 -0.407 20 0 BBADRP C[NH+](C)C[C@H](O)CNC1CC[NH+](C)CC1 ZINC000037887413 384624510 /nfs/dbraw/zinc/62/45/10/384624510.db2.gz JFPISVANWBGKRW-LLVKDONJSA-N 2 0 215.341 -0.407 20 0 BBADRP C[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037888713 357404044 /nfs/dbraw/zinc/40/40/44/357404044.db2.gz SENVEUQZCLENIH-VHSXEESVSA-N 2 0 202.298 -0.587 20 0 BBADRP C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037888714 371207473 /nfs/dbraw/zinc/20/74/73/371207473.db2.gz SENVEUQZCLENIH-NXEZZACHSA-N 2 0 202.298 -0.587 20 0 BBADRP NC(=O)CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904968 343002427 /nfs/dbraw/zinc/00/24/27/343002427.db2.gz AVJXOACIQBPOOW-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904969 358097554 /nfs/dbraw/zinc/09/75/54/358097554.db2.gz AVJXOACIQBPOOW-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1CC1 ZINC000037925609 343008924 /nfs/dbraw/zinc/00/89/24/343008924.db2.gz MMBRULPHDUGVEF-UHFFFAOYSA-N 2 0 211.309 -0.240 20 0 BBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000038030945 350299924 /nfs/dbraw/zinc/29/99/24/350299924.db2.gz CFSOXAGLAYREKY-NSHDSACASA-N 2 0 241.335 -0.614 20 0 BBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000038030946 350300147 /nfs/dbraw/zinc/30/01/47/350300147.db2.gz CFSOXAGLAYREKY-LLVKDONJSA-N 2 0 241.335 -0.614 20 0 BBADRP COCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031394 174215530 /nfs/dbraw/zinc/21/55/30/174215530.db2.gz RGXKFMHSQFYJHQ-UHFFFAOYSA-N 2 0 229.324 -0.614 20 0 BBADRP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(C)(C)O ZINC000038031601 350300188 /nfs/dbraw/zinc/30/01/88/350300188.db2.gz NDIIOZIIGBCQKG-UHFFFAOYSA-N 2 0 229.324 -0.879 20 0 BBADRP O[C@H](C[NH2+]C[C@@H]1COCCO1)C[NH+]1CCCC1 ZINC000038061512 183224357 /nfs/dbraw/zinc/22/43/57/183224357.db2.gz FTGXBCGUQNYHSV-VXGBXAGGSA-N 2 0 244.335 -0.552 20 0 BBADRP O[C@@H](C[NH2+]C[C@@H]1COCCO1)C[NH+]1CCCC1 ZINC000038061513 183178933 /nfs/dbraw/zinc/17/89/33/183178933.db2.gz FTGXBCGUQNYHSV-NWDGAFQWSA-N 2 0 244.335 -0.552 20 0 BBADRP O[C@H](C[NH2+]C[C@H]1COCCO1)C[NH+]1CCCC1 ZINC000038061514 183224509 /nfs/dbraw/zinc/22/45/09/183224509.db2.gz FTGXBCGUQNYHSV-NEPJUHHUSA-N 2 0 244.335 -0.552 20 0 BBADRP O[C@@H](C[NH2+]C[C@H]1COCCO1)C[NH+]1CCCC1 ZINC000038061515 183179742 /nfs/dbraw/zinc/17/97/42/183179742.db2.gz FTGXBCGUQNYHSV-RYUDHWBXSA-N 2 0 244.335 -0.552 20 0 BBADRP O=C(CC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000038075080 387451538 /nfs/dbraw/zinc/45/15/38/387451538.db2.gz NBGMZRKNMAFHNO-UHFFFAOYSA-N 2 0 211.309 -0.192 20 0 BBADRP C[NH+](C)CCNC(=O)NCC[NH+](C)C ZINC000039259477 384910137 /nfs/dbraw/zinc/91/01/37/384910137.db2.gz BRLHUTYQAUOXSB-UHFFFAOYSA-N 2 0 202.302 -0.591 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000040460103 373278369 /nfs/dbraw/zinc/27/83/69/373278369.db2.gz JYPTYKPENCCSJZ-VIFPVBQESA-N 2 0 231.365 -0.111 20 0 BBADRP CNC(=O)NC(=O)CN1CCC[C@@H](C[NH2+]C)C1 ZINC000040599796 173367668 /nfs/dbraw/zinc/36/76/68/173367668.db2.gz VDAHHYMDPFURSJ-VIFPVBQESA-N 2 0 242.323 -0.627 20 0 BBADRP CNC(=O)NC(=O)CN1CCC[C@H](C[NH2+]C)C1 ZINC000040599799 173378545 /nfs/dbraw/zinc/37/85/45/173378545.db2.gz VDAHHYMDPFURSJ-SECBINFHSA-N 2 0 242.323 -0.627 20 0 BBADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000040600335 173368259 /nfs/dbraw/zinc/36/82/59/173368259.db2.gz HYLKHAWOJPMQLG-VIFPVBQESA-N 2 0 242.323 -0.497 20 0 BBADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000040600337 173379172 /nfs/dbraw/zinc/37/91/72/173379172.db2.gz HYLKHAWOJPMQLG-SECBINFHSA-N 2 0 242.323 -0.497 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000040601140 173368141 /nfs/dbraw/zinc/36/81/41/173368141.db2.gz ONUQOBUDTDMYAJ-QMMMGPOBSA-N 2 0 228.296 -0.887 20 0 BBADRP C[NH2+]C[C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC000040601142 173379350 /nfs/dbraw/zinc/37/93/50/173379350.db2.gz ONUQOBUDTDMYAJ-MRVPVSSYSA-N 2 0 228.296 -0.887 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000040629510 344129250 /nfs/dbraw/zinc/12/92/50/344129250.db2.gz MUUUKHGNEUACAL-DTWKUNHWSA-N 2 0 215.297 -0.959 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040629637 358497069 /nfs/dbraw/zinc/49/70/69/358497069.db2.gz NFUJCLKNPKBGSS-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000040630699 174770421 /nfs/dbraw/zinc/77/04/21/174770421.db2.gz BJNNNRUJACHFSI-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000040631109 358244118 /nfs/dbraw/zinc/24/41/18/358244118.db2.gz CUCRVGYTRVEFJN-WDEREUQCSA-N 2 0 241.335 -0.473 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000040631933 358244633 /nfs/dbraw/zinc/24/46/33/358244633.db2.gz BGOKSZBXLFEVGK-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040673623 173044668 /nfs/dbraw/zinc/04/46/68/173044668.db2.gz LIFQPHRHZKMUQR-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040673624 173021457 /nfs/dbraw/zinc/02/14/57/173021457.db2.gz LIFQPHRHZKMUQR-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000040673687 410884992 /nfs/dbraw/zinc/88/49/92/410884992.db2.gz ZUZVLBZMZPWEKG-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000040673688 410886632 /nfs/dbraw/zinc/88/66/32/410886632.db2.gz ZUZVLBZMZPWEKG-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000040673735 173045345 /nfs/dbraw/zinc/04/53/45/173045345.db2.gz AQPBSCQFYNEHAI-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000040673736 173021238 /nfs/dbraw/zinc/02/12/38/173021238.db2.gz AQPBSCQFYNEHAI-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(CC(=O)NC(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747129 358245621 /nfs/dbraw/zinc/24/56/21/358245621.db2.gz DGKVWGQAZJYBLK-JVHMLUBASA-N 2 0 240.307 -0.604 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040807215 172394574 /nfs/dbraw/zinc/39/45/74/172394574.db2.gz DKCRKBHNUHVXIV-IUCAKERBSA-N 2 0 229.324 -0.834 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000040807217 172395610 /nfs/dbraw/zinc/39/56/10/172395610.db2.gz DKCRKBHNUHVXIV-DTWKUNHWSA-N 2 0 229.324 -0.834 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040807219 172395721 /nfs/dbraw/zinc/39/57/21/172395721.db2.gz DKCRKBHNUHVXIV-BDAKNGLRSA-N 2 0 229.324 -0.834 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000040807221 172395193 /nfs/dbraw/zinc/39/51/93/172395193.db2.gz DKCRKBHNUHVXIV-RKDXNWHRSA-N 2 0 229.324 -0.834 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000040807327 358503291 /nfs/dbraw/zinc/50/32/91/358503291.db2.gz LPRAXCTVSRGULQ-VHSXEESVSA-N 2 0 243.351 -0.180 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000040808844 384166460 /nfs/dbraw/zinc/16/64/60/384166460.db2.gz BNSPDROBNZADAF-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000040808846 387584692 /nfs/dbraw/zinc/58/46/92/387584692.db2.gz BNSPDROBNZADAF-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000040832316 181394374 /nfs/dbraw/zinc/39/43/74/181394374.db2.gz PTPSVHSULTZTGA-JTQLQIEISA-N 2 0 207.277 -0.369 20 0 BBADRP [NH3+]CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000040832317 181395764 /nfs/dbraw/zinc/39/57/64/181395764.db2.gz PTPSVHSULTZTGA-SNVBAGLBSA-N 2 0 207.277 -0.369 20 0 BBADRP [NH3+]CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000040832325 181395539 /nfs/dbraw/zinc/39/55/39/181395539.db2.gz IMATZXLRVGZFJV-LLVKDONJSA-N 2 0 219.288 -0.224 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000040832326 181395513 /nfs/dbraw/zinc/39/55/13/181395513.db2.gz IMATZXLRVGZFJV-NSHDSACASA-N 2 0 219.288 -0.224 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000040924194 343411478 /nfs/dbraw/zinc/41/14/78/343411478.db2.gz WGJVXRMWGVTIPB-UHFFFAOYSA-N 2 0 243.351 -0.096 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCOC2)CCO1 ZINC000041059162 386662034 /nfs/dbraw/zinc/66/20/34/386662034.db2.gz LGMDLAXZXJXKPL-VHSXEESVSA-N 2 0 200.282 -0.318 20 0 BBADRP C[NH+](C)CCCCNC(=O)CN1CC[NH2+]CC1 ZINC000041679586 410933363 /nfs/dbraw/zinc/93/33/63/410933363.db2.gz ZWXOKXJFNHFKHG-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCC[NH+](C)C)C1 ZINC000041679593 322836239 /nfs/dbraw/zinc/83/62/39/322836239.db2.gz MRWFAGPITVCTDQ-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH+](C)CCCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000041679636 387605065 /nfs/dbraw/zinc/60/50/65/387605065.db2.gz GKHNGOPBVLPGFD-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH+](C)CCCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000041679637 172428590 /nfs/dbraw/zinc/42/85/90/172428590.db2.gz GKHNGOPBVLPGFD-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000041680151 323215021 /nfs/dbraw/zinc/21/50/21/323215021.db2.gz WHZOEUDJEDRBTH-OUAUKWLOSA-N 2 0 243.351 -0.444 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000041680152 352616084 /nfs/dbraw/zinc/61/60/84/352616084.db2.gz WHZOEUDJEDRBTH-GARJFASQSA-N 2 0 243.351 -0.444 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000041680213 641545221 /nfs/dbraw/zinc/54/52/21/641545221.db2.gz JCBCYXALMZGYAZ-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000041680214 641545540 /nfs/dbraw/zinc/54/55/40/641545540.db2.gz JCBCYXALMZGYAZ-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000041680215 169784576 /nfs/dbraw/zinc/78/45/76/169784576.db2.gz JCBCYXALMZGYAZ-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000041680216 410933940 /nfs/dbraw/zinc/93/39/40/410933940.db2.gz JCBCYXALMZGYAZ-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000041680297 358333852 /nfs/dbraw/zinc/33/38/52/358333852.db2.gz LCUJBYDLEBADQZ-WDEREUQCSA-N 2 0 243.351 -0.491 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000041680326 410933684 /nfs/dbraw/zinc/93/36/84/410933684.db2.gz FJCQWVNVBWCOKM-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000041680327 410934737 /nfs/dbraw/zinc/93/47/37/410934737.db2.gz FJCQWVNVBWCOKM-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000042166112 182026908 /nfs/dbraw/zinc/02/69/08/182026908.db2.gz CTAGCRGQHQQBQI-SNVBAGLBSA-N 2 0 211.309 -0.050 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000042166113 182017448 /nfs/dbraw/zinc/01/74/48/182017448.db2.gz CTAGCRGQHQQBQI-JTQLQIEISA-N 2 0 211.309 -0.050 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)CN1CC[NH2+]CC1 ZINC000042288140 172394835 /nfs/dbraw/zinc/39/48/35/172394835.db2.gz KPTGERRSZHOCPL-UHFFFAOYSA-N 2 0 242.367 -0.652 20 0 BBADRP COCC[NH+](CCOC)CCN1CC[NH2+]CC1 ZINC000042308042 174295989 /nfs/dbraw/zinc/29/59/89/174295989.db2.gz FCTWYOZSFGXKKE-UHFFFAOYSA-N 2 0 245.367 -0.514 20 0 BBADRP COCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000042308552 358346781 /nfs/dbraw/zinc/34/67/81/358346781.db2.gz QTRCCMHFYXZWGJ-UHFFFAOYSA-N 2 0 201.314 -0.530 20 0 BBADRP CN(CCN1CC[NH2+]CC1)Cc1cnn(C)c1 ZINC000042317572 358346673 /nfs/dbraw/zinc/34/66/73/358346673.db2.gz MLYWSPJRBZKQSQ-UHFFFAOYSA-N 2 0 237.351 -0.243 20 0 BBADRP COC[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000042319044 487729108 /nfs/dbraw/zinc/72/91/08/487729108.db2.gz KEWNESYNXSLPBG-NSHDSACASA-N 2 0 215.341 -0.142 20 0 BBADRP COC[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000042319048 487729294 /nfs/dbraw/zinc/72/92/94/487729294.db2.gz KEWNESYNXSLPBG-LLVKDONJSA-N 2 0 215.341 -0.142 20 0 BBADRP CN(C[C@H](O)C[NH3+])C[C@H]1CCCCO1 ZINC000042463871 342998440 /nfs/dbraw/zinc/99/84/40/342998440.db2.gz BWIDRLLHYIVGJH-NXEZZACHSA-N 2 0 202.298 -0.193 20 0 BBADRP COC[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000042518349 352623321 /nfs/dbraw/zinc/62/33/21/352623321.db2.gz NNGVJEORGUFBOY-JTQLQIEISA-N 2 0 229.324 -0.615 20 0 BBADRP COC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000042518350 386685055 /nfs/dbraw/zinc/68/50/55/386685055.db2.gz NNGVJEORGUFBOY-SNVBAGLBSA-N 2 0 229.324 -0.615 20 0 BBADRP O[C@@H](C[NH2+]CCn1ccnc1)C[NH+]1CCCC1 ZINC000042541299 362008240 /nfs/dbraw/zinc/00/82/40/362008240.db2.gz JLJGURNTHYEAII-LBPRGKRZSA-N 2 0 238.335 -0.071 20 0 BBADRP O[C@H](C[NH2+]CCn1ccnc1)C[NH+]1CCCC1 ZINC000042541302 183223906 /nfs/dbraw/zinc/22/39/06/183223906.db2.gz JLJGURNTHYEAII-GFCCVEGCSA-N 2 0 238.335 -0.071 20 0 BBADRP CCC[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC ZINC000043499889 169160073 /nfs/dbraw/zinc/16/00/73/169160073.db2.gz KWXWSGZBBUSYAB-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP NC(=O)[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000043499892 384645546 /nfs/dbraw/zinc/64/55/46/384645546.db2.gz SKRGYWFNUBFVAM-NSHDSACASA-N 2 0 240.351 -0.769 20 0 BBADRP NC(=O)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000043499893 384645657 /nfs/dbraw/zinc/64/56/57/384645657.db2.gz SKRGYWFNUBFVAM-LLVKDONJSA-N 2 0 240.351 -0.769 20 0 BBADRP CC(C)[N@H+](CCN1CC[NH2+]CC1)CC(N)=O ZINC000043499924 358376161 /nfs/dbraw/zinc/37/61/61/358376161.db2.gz VQOHYAUFZJTFLA-UHFFFAOYSA-N 2 0 228.340 -0.913 20 0 BBADRP CCCC[N@H+](CCN1CC[NH2+]CC1)CC(N)=O ZINC000043499931 387653141 /nfs/dbraw/zinc/65/31/41/387653141.db2.gz AEERSTCJJMWINA-UHFFFAOYSA-N 2 0 242.367 -0.521 20 0 BBADRP CC(C)C[N@H+](CCN1CC[NH2+]CC1)CC(N)=O ZINC000043499934 352638370 /nfs/dbraw/zinc/63/83/70/352638370.db2.gz BOOLLEOGADPTKG-UHFFFAOYSA-N 2 0 242.367 -0.665 20 0 BBADRP C[NH2+]CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000043605139 173339640 /nfs/dbraw/zinc/33/96/40/173339640.db2.gz NDQPEQJKEGAZFV-SNVBAGLBSA-N 2 0 211.309 -0.098 20 0 BBADRP C[NH2+]CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000043605140 173339456 /nfs/dbraw/zinc/33/94/56/173339456.db2.gz NDQPEQJKEGAZFV-JTQLQIEISA-N 2 0 211.309 -0.098 20 0 BBADRP C[NH2+]CCC(=O)N1CCC[N@H+](CCOC)CC1 ZINC000043605428 343478990 /nfs/dbraw/zinc/47/89/90/343478990.db2.gz XOIKXQZMIVATNN-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707679 384648940 /nfs/dbraw/zinc/64/89/40/384648940.db2.gz IRKJSMVBPZCURI-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707720 385184194 /nfs/dbraw/zinc/18/41/94/385184194.db2.gz LTVIDAPIYOUFMW-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043707721 385183040 /nfs/dbraw/zinc/18/30/40/385183040.db2.gz LTVIDAPIYOUFMW-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707722 384647945 /nfs/dbraw/zinc/64/79/45/384647945.db2.gz AMKBVVKOKRKWDV-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707723 384649056 /nfs/dbraw/zinc/64/90/56/384649056.db2.gz AMKBVVKOKRKWDV-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043707837 173011103 /nfs/dbraw/zinc/01/11/03/173011103.db2.gz WRBIUEBKGOJYEC-JTQLQIEISA-N 2 0 227.308 -0.861 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043707838 173014766 /nfs/dbraw/zinc/01/47/66/173014766.db2.gz WRBIUEBKGOJYEC-SNVBAGLBSA-N 2 0 227.308 -0.861 20 0 BBADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000043707935 384649403 /nfs/dbraw/zinc/64/94/03/384649403.db2.gz AAPAASASDXFWHC-NSHDSACASA-N 2 0 241.335 -0.423 20 0 BBADRP O=C(NCCC[NH+]1CCCC1)[C@H]1C[NH2+]CCO1 ZINC000043707936 182167560 /nfs/dbraw/zinc/16/75/60/182167560.db2.gz AAPAASASDXFWHC-LLVKDONJSA-N 2 0 241.335 -0.423 20 0 BBADRP O=C(NCC[NH+]1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000043708047 322839942 /nfs/dbraw/zinc/83/99/42/322839942.db2.gz XKGHBPKSQILURH-JTQLQIEISA-N 2 0 227.308 -0.813 20 0 BBADRP O=C(NCC[NH+]1CCCC1)[C@H]1C[NH2+]CCO1 ZINC000043708048 182184631 /nfs/dbraw/zinc/18/46/31/182184631.db2.gz XKGHBPKSQILURH-SNVBAGLBSA-N 2 0 227.308 -0.813 20 0 BBADRP CC(C)N1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043708183 352641723 /nfs/dbraw/zinc/64/17/23/352641723.db2.gz ZSURYMFJKCLCEB-NSHDSACASA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043708185 386712111 /nfs/dbraw/zinc/71/21/11/386712111.db2.gz JJGXVOSDXQLOHW-NSHDSACASA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043708186 386710793 /nfs/dbraw/zinc/71/07/93/386710793.db2.gz JJGXVOSDXQLOHW-LLVKDONJSA-N 2 0 241.335 -0.473 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043709221 384649916 /nfs/dbraw/zinc/64/99/16/384649916.db2.gz QZJRKEOBWBDGEO-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043709222 384648574 /nfs/dbraw/zinc/64/85/74/384648574.db2.gz QZJRKEOBWBDGEO-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043709227 173145129 /nfs/dbraw/zinc/14/51/29/173145129.db2.gz NIGITFQNEIZJFQ-ZJUUUORDSA-N 2 0 227.308 -0.957 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043712088 352642018 /nfs/dbraw/zinc/64/20/18/352642018.db2.gz JJZSITUCUABGKA-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043712092 352641570 /nfs/dbraw/zinc/64/15/70/352641570.db2.gz JJZSITUCUABGKA-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043712248 172420882 /nfs/dbraw/zinc/42/08/82/172420882.db2.gz JGUUDJABLPPODY-JTQLQIEISA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043712250 386711093 /nfs/dbraw/zinc/71/10/93/386711093.db2.gz JGUUDJABLPPODY-SNVBAGLBSA-N 2 0 243.351 -0.321 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000043799678 344532917 /nfs/dbraw/zinc/53/29/17/344532917.db2.gz SBFFWOKZQPYDJV-IUCAKERBSA-N 2 0 215.297 -0.959 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000043799681 344532983 /nfs/dbraw/zinc/53/29/83/344532983.db2.gz SBFFWOKZQPYDJV-BDAKNGLRSA-N 2 0 215.297 -0.959 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000043799684 344533244 /nfs/dbraw/zinc/53/32/44/344533244.db2.gz SBFFWOKZQPYDJV-DTWKUNHWSA-N 2 0 215.297 -0.959 20 0 BBADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000043799687 344533035 /nfs/dbraw/zinc/53/30/35/344533035.db2.gz SBFFWOKZQPYDJV-RKDXNWHRSA-N 2 0 215.297 -0.959 20 0 BBADRP CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000043799720 352639429 /nfs/dbraw/zinc/63/94/29/352639429.db2.gz NHTZQZNOLLNRIG-NSHDSACASA-N 2 0 241.335 -0.425 20 0 BBADRP CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043799722 352639400 /nfs/dbraw/zinc/63/94/00/352639400.db2.gz NHTZQZNOLLNRIG-LLVKDONJSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800459 352639441 /nfs/dbraw/zinc/63/94/41/352639441.db2.gz KOLFBWSSODPGSY-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800461 352639120 /nfs/dbraw/zinc/63/91/20/352639120.db2.gz KOLFBWSSODPGSY-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800495 173046780 /nfs/dbraw/zinc/04/67/80/173046780.db2.gz NNVZCIBRBWQRQI-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043800497 173020318 /nfs/dbraw/zinc/02/03/18/173020318.db2.gz NNVZCIBRBWQRQI-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043800624 384647920 /nfs/dbraw/zinc/64/79/20/384647920.db2.gz MWAVPBGGTWWCBB-VIFPVBQESA-N 2 0 229.324 -0.569 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000043800626 172395052 /nfs/dbraw/zinc/39/50/52/172395052.db2.gz MWAVPBGGTWWCBB-SECBINFHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043801562 358543876 /nfs/dbraw/zinc/54/38/76/358543876.db2.gz MNKSGHMJMMYRHK-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043801564 358544319 /nfs/dbraw/zinc/54/43/19/358544319.db2.gz MNKSGHMJMMYRHK-ZJUUUORDSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043801567 358544122 /nfs/dbraw/zinc/54/41/22/358544122.db2.gz MNKSGHMJMMYRHK-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043801570 358544232 /nfs/dbraw/zinc/54/42/32/358544232.db2.gz MNKSGHMJMMYRHK-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000043801585 182184868 /nfs/dbraw/zinc/18/48/68/182184868.db2.gz PWDIESWWSPUEFY-NSHDSACASA-N 2 0 241.335 -0.423 20 0 BBADRP O=C(NCC[NH+]1CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000043801588 182184172 /nfs/dbraw/zinc/18/41/72/182184172.db2.gz PWDIESWWSPUEFY-LLVKDONJSA-N 2 0 241.335 -0.423 20 0 BBADRP CC[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802006 488207578 /nfs/dbraw/zinc/20/75/78/488207578.db2.gz XNLLVFQOWJJDKV-NSHDSACASA-N 2 0 213.325 -0.388 20 0 BBADRP CC[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000043802009 488207265 /nfs/dbraw/zinc/20/72/65/488207265.db2.gz XNLLVFQOWJJDKV-LLVKDONJSA-N 2 0 213.325 -0.388 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000043802720 488209168 /nfs/dbraw/zinc/20/91/68/488209168.db2.gz RLLSFXZHLGISDI-LBPRGKRZSA-N 2 0 225.336 -0.245 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000043802722 488208128 /nfs/dbraw/zinc/20/81/28/488208128.db2.gz RLLSFXZHLGISDI-GFCCVEGCSA-N 2 0 225.336 -0.245 20 0 BBADRP C[C@@H](CNC[C@H](O)C[NH+]1CCCC1)[NH+](C)C ZINC000044317063 345022314 /nfs/dbraw/zinc/02/23/14/345022314.db2.gz RRHDGAFVRFEYRS-RYUDHWBXSA-N 2 0 229.368 -0.017 20 0 BBADRP C[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)[NH+](C)C ZINC000044317065 345022336 /nfs/dbraw/zinc/02/23/36/345022336.db2.gz RRHDGAFVRFEYRS-NWDGAFQWSA-N 2 0 229.368 -0.017 20 0 BBADRP [NH3+]CCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000044467051 181395336 /nfs/dbraw/zinc/39/53/36/181395336.db2.gz SZEOZVSVZPVLLH-NSHDSACASA-N 2 0 219.288 -0.052 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000044467054 181395612 /nfs/dbraw/zinc/39/56/12/181395612.db2.gz SZEOZVSVZPVLLH-LLVKDONJSA-N 2 0 219.288 -0.052 20 0 BBADRP CNC(=O)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513311 173287069 /nfs/dbraw/zinc/28/70/69/173287069.db2.gz XKCKSWZPUUQLSC-UHFFFAOYSA-N 2 0 228.296 -0.887 20 0 BBADRP [NH3+]CC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000044513545 181365104 /nfs/dbraw/zinc/36/51/04/181365104.db2.gz AETAZNIYKGSKKU-UHFFFAOYSA-N 2 0 239.319 -0.194 20 0 BBADRP CNC(=O)NC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000044513549 173286502 /nfs/dbraw/zinc/28/65/02/173286502.db2.gz OVKBGLAWLYWREG-UHFFFAOYSA-N 2 0 242.323 -0.497 20 0 BBADRP NC(=O)NC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000044513555 181365701 /nfs/dbraw/zinc/36/57/01/181365701.db2.gz HOXQZIWGLDFDFU-UHFFFAOYSA-N 2 0 228.296 -0.758 20 0 BBADRP CCNC(=O)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513750 170076250 /nfs/dbraw/zinc/07/62/50/170076250.db2.gz VNOKPSXOCNLXFZ-UHFFFAOYSA-N 2 0 242.323 -0.497 20 0 BBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514394 173288366 /nfs/dbraw/zinc/28/83/66/173288366.db2.gz ROZWAPXFUZMRJZ-QMMMGPOBSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514396 173287756 /nfs/dbraw/zinc/28/77/56/173287756.db2.gz ROZWAPXFUZMRJZ-MRVPVSSYSA-N 2 0 242.323 -0.499 20 0 BBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C[NH3+])CC1 ZINC000044514402 352653843 /nfs/dbraw/zinc/65/38/43/352653843.db2.gz OJMFBJOSKPETCC-ZETCQYMHSA-N 2 0 228.296 -0.760 20 0 BBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C[NH3+])CC1 ZINC000044514404 176567927 /nfs/dbraw/zinc/56/79/27/176567927.db2.gz OJMFBJOSKPETCC-SSDOTTSWSA-N 2 0 228.296 -0.760 20 0 BBADRP C[NH+]1CCC(C[NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000044518012 172986371 /nfs/dbraw/zinc/98/63/71/172986371.db2.gz ZKLNYQPJBDHPTE-MNOVXSKESA-N 2 0 214.309 -0.323 20 0 BBADRP C[NH+]1CCC(C[NH2+]CCOCCO)CC1 ZINC000044518041 631816309 /nfs/dbraw/zinc/81/63/09/631816309.db2.gz FFCRMCPLEJUXLJ-UHFFFAOYSA-N 2 0 216.325 -0.073 20 0 BBADRP C[NH+]1CCC(C[NH2+]CCS(C)(=O)=O)CC1 ZINC000044518336 640398410 /nfs/dbraw/zinc/39/84/10/640398410.db2.gz XUFZEMHAZWANJJ-UHFFFAOYSA-N 2 0 234.365 -0.038 20 0 BBADRP C[NH+]1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC000044518346 640398331 /nfs/dbraw/zinc/39/83/31/640398331.db2.gz JJUMXIBOABFOHZ-UHFFFAOYSA-N 2 0 240.351 -0.057 20 0 BBADRP C[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000044526609 172985114 /nfs/dbraw/zinc/98/51/14/172985114.db2.gz ZTKGQYOZQJOBMI-NSHDSACASA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH+]1CCC(CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000044526610 352654969 /nfs/dbraw/zinc/65/49/69/352654969.db2.gz ZTKGQYOZQJOBMI-LLVKDONJSA-N 2 0 241.335 -0.567 20 0 BBADRP [NH3+]C[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000044529796 386724200 /nfs/dbraw/zinc/72/42/00/386724200.db2.gz KANPTYOKGXQKMC-SNVBAGLBSA-N 2 0 239.319 -0.194 20 0 BBADRP [NH3+]C[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000044529798 386722150 /nfs/dbraw/zinc/72/21/50/386722150.db2.gz KANPTYOKGXQKMC-JTQLQIEISA-N 2 0 239.319 -0.194 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529804 173286226 /nfs/dbraw/zinc/28/62/26/173286226.db2.gz OWPGEZADSKJMRN-SECBINFHSA-N 2 0 242.323 -0.497 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529806 173286360 /nfs/dbraw/zinc/28/63/60/173286360.db2.gz OWPGEZADSKJMRN-VIFPVBQESA-N 2 0 242.323 -0.497 20 0 BBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529816 386723981 /nfs/dbraw/zinc/72/39/81/386723981.db2.gz JZDQINFFJZIMQJ-MRVPVSSYSA-N 2 0 228.296 -0.758 20 0 BBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529818 386723027 /nfs/dbraw/zinc/72/30/27/386723027.db2.gz JZDQINFFJZIMQJ-QMMMGPOBSA-N 2 0 228.296 -0.758 20 0 BBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000044539022 411137554 /nfs/dbraw/zinc/13/75/54/411137554.db2.gz WQKUTXYDDQANCM-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000044539024 411137416 /nfs/dbraw/zinc/13/74/16/411137416.db2.gz WQKUTXYDDQANCM-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP CC[NH2+]CC(=O)N1CCC[N@H+](CCOC)CC1 ZINC000044650684 640448484 /nfs/dbraw/zinc/44/84/84/640448484.db2.gz JYOJIFSWUYMIGZ-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP CC[NH2+]CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000044651261 640447955 /nfs/dbraw/zinc/44/79/55/640447955.db2.gz MTGAABNRTNLATG-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP COCCOCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000044725593 174355635 /nfs/dbraw/zinc/35/56/35/174355635.db2.gz XFIAQHKLAVNLSX-SNVBAGLBSA-N 2 0 202.298 -0.070 20 0 BBADRP COCCOCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000044725594 174355260 /nfs/dbraw/zinc/35/52/60/174355260.db2.gz XFIAQHKLAVNLSX-JTQLQIEISA-N 2 0 202.298 -0.070 20 0 BBADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726713 173341362 /nfs/dbraw/zinc/34/13/62/173341362.db2.gz GLUJJOXOWBBKGZ-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726714 173341474 /nfs/dbraw/zinc/34/14/74/173341474.db2.gz GLUJJOXOWBBKGZ-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000044726716 182303266 /nfs/dbraw/zinc/30/32/66/182303266.db2.gz HEUAHGLLRXVARH-KOLCDFICSA-N 2 0 239.319 -0.672 20 0 BBADRP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726717 640461116 /nfs/dbraw/zinc/46/11/16/640461116.db2.gz RGLHJHKJAOLGNG-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726718 640462850 /nfs/dbraw/zinc/46/28/50/640462850.db2.gz RGLHJHKJAOLGNG-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000044726812 182303174 /nfs/dbraw/zinc/30/31/74/182303174.db2.gz CPLACDYLIFCCHG-MIMYLULJSA-N 2 0 239.319 -0.938 20 0 BBADRP COCCOCCN1CCC[NH2+]CC1 ZINC000044727840 174353347 /nfs/dbraw/zinc/35/33/47/174353347.db2.gz XJZCXRNEFPTBCI-UHFFFAOYSA-N 2 0 202.298 -0.055 20 0 BBADRP C[NH+](C)CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000044753424 172436540 /nfs/dbraw/zinc/43/65/40/172436540.db2.gz KVVSBIFNPVYBDH-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CC(C)[C@@H](C[NH3+])C(=O)NCC[NH+](C)C ZINC000044795920 167394805 /nfs/dbraw/zinc/39/48/05/167394805.db2.gz RTILZHWTJMYGLG-SECBINFHSA-N 2 0 201.314 -0.105 20 0 BBADRP CC(C)[C@H](C[NH3+])C(=O)NCC[NH+](C)C ZINC000044795923 344547980 /nfs/dbraw/zinc/54/79/80/344547980.db2.gz RTILZHWTJMYGLG-VIFPVBQESA-N 2 0 201.314 -0.105 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044808509 344549099 /nfs/dbraw/zinc/54/90/99/344549099.db2.gz ASLXGTJZILVGPC-RKDXNWHRSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044808510 344549084 /nfs/dbraw/zinc/54/90/84/344549084.db2.gz ASLXGTJZILVGPC-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044808511 344549197 /nfs/dbraw/zinc/54/91/97/344549197.db2.gz ASLXGTJZILVGPC-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP COCC[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000045044489 387704650 /nfs/dbraw/zinc/70/46/50/387704650.db2.gz JBFHVSRQNUYVKO-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP COCC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000045044491 174377978 /nfs/dbraw/zinc/37/79/78/174377978.db2.gz JBFHVSRQNUYVKO-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP COC[C@@H](C)C[NH2+]CC(=O)N1CCN(C)CC1 ZINC000045696746 538993476 /nfs/dbraw/zinc/99/34/76/538993476.db2.gz NDJAGPBCYOGTPA-NSHDSACASA-N 2 0 243.351 -0.368 20 0 BBADRP COC[C@H](C)C[NH2+]CC(=O)N1CCN(C)CC1 ZINC000045696748 538993644 /nfs/dbraw/zinc/99/36/44/538993644.db2.gz NDJAGPBCYOGTPA-LLVKDONJSA-N 2 0 243.351 -0.368 20 0 BBADRP CC(C)OCC[NH+]1CCN(CC[NH3+])CC1 ZINC000049259246 167236068 /nfs/dbraw/zinc/23/60/68/167236068.db2.gz KIPHCVYSEQSBHD-UHFFFAOYSA-N 2 0 215.341 -0.012 20 0 BBADRP COCCCNC(=O)CN(C)CCC[NH3+] ZINC000049282663 411229632 /nfs/dbraw/zinc/22/96/32/411229632.db2.gz VVZFFHHJAYYSTK-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP C[NH+]1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC000049474583 356458358 /nfs/dbraw/zinc/45/83/58/356458358.db2.gz YSQTWCORVXKJMD-UHFFFAOYSA-N 2 0 211.309 -0.240 20 0 BBADRP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000049509032 411240189 /nfs/dbraw/zinc/24/01/89/411240189.db2.gz DYWRDUYWKOQZLU-NWDGAFQWSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000049509034 411241040 /nfs/dbraw/zinc/24/10/40/411241040.db2.gz DYWRDUYWKOQZLU-VXGBXAGGSA-N 2 0 227.352 -0.012 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000049559621 358694671 /nfs/dbraw/zinc/69/46/71/358694671.db2.gz JNOAFKCFBNNYJR-GARJFASQSA-N 2 0 243.351 -0.180 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000049559622 358694186 /nfs/dbraw/zinc/69/41/86/358694186.db2.gz JNOAFKCFBNNYJR-OUAUKWLOSA-N 2 0 243.351 -0.180 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000049559729 134634298 /nfs/dbraw/zinc/63/42/98/134634298.db2.gz MFAIHZALMRBOOF-UTLUCORTSA-N 2 0 229.324 -0.834 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000049559730 323162390 /nfs/dbraw/zinc/16/23/90/323162390.db2.gz MFAIHZALMRBOOF-LPEHRKFASA-N 2 0 229.324 -0.834 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000049559731 358695076 /nfs/dbraw/zinc/69/50/76/358695076.db2.gz MFAIHZALMRBOOF-KXUCPTDWSA-N 2 0 229.324 -0.834 20 0 BBADRP C[NH+](C)CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000049632037 643117428 /nfs/dbraw/zinc/11/74/28/643117428.db2.gz YULJOBFRXAQJJV-UHFFFAOYSA-N 2 0 249.380 -0.533 20 0 BBADRP CCCNC(=O)NC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000050247202 169236384 /nfs/dbraw/zinc/23/63/84/169236384.db2.gz RLOXBIWKSWWFOM-SECBINFHSA-N 2 0 242.323 -0.497 20 0 BBADRP CCCNC(=O)NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000050247204 169236303 /nfs/dbraw/zinc/23/63/03/169236303.db2.gz RLOXBIWKSWWFOM-VIFPVBQESA-N 2 0 242.323 -0.497 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247740 173286106 /nfs/dbraw/zinc/28/61/06/173286106.db2.gz UMAKDFKRKJXZNJ-MRVPVSSYSA-N 2 0 228.296 -0.887 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247741 173286689 /nfs/dbraw/zinc/28/66/89/173286689.db2.gz UMAKDFKRKJXZNJ-QMMMGPOBSA-N 2 0 228.296 -0.887 20 0 BBADRP CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](C[NH3+])C1 ZINC000050249187 170078799 /nfs/dbraw/zinc/07/87/99/170078799.db2.gz FVQLPMJFRIVRDI-DTWKUNHWSA-N 2 0 242.323 -0.499 20 0 BBADRP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000050456449 387793812 /nfs/dbraw/zinc/79/38/12/387793812.db2.gz WHVRMVYJVIAZGZ-ZJUUUORDSA-N 2 0 211.309 -0.114 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050456719 343022050 /nfs/dbraw/zinc/02/20/50/343022050.db2.gz GLXAUUMUJCZXLF-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050456721 350342307 /nfs/dbraw/zinc/34/23/07/350342307.db2.gz GLXAUUMUJCZXLF-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050459099 387796188 /nfs/dbraw/zinc/79/61/88/387796188.db2.gz BEXYJLNDFUNORT-ZJUUUORDSA-N 2 0 211.309 -0.114 20 0 BBADRP C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050459109 384049410 /nfs/dbraw/zinc/04/94/10/384049410.db2.gz GFTVUTZMIHRRND-ZJUUUORDSA-N 2 0 211.309 -0.114 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050459348 343022012 /nfs/dbraw/zinc/02/20/12/343022012.db2.gz VMFHQEZJFIHHDR-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050459349 343615019 /nfs/dbraw/zinc/61/50/19/343615019.db2.gz VMFHQEZJFIHHDR-AEJSXWLSSA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000050460733 350343030 /nfs/dbraw/zinc/34/30/30/350343030.db2.gz RNMIFFBHVQGJGM-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000050462758 350343013 /nfs/dbraw/zinc/34/30/13/350343013.db2.gz OPKBUENAHAFREI-WDEREUQCSA-N 2 0 223.320 -0.112 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050463538 343022327 /nfs/dbraw/zinc/02/23/27/343022327.db2.gz UMXULYHIRFBQGP-MNOVXSKESA-N 2 0 241.335 -0.486 20 0 BBADRP CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050464212 358730266 /nfs/dbraw/zinc/73/02/66/358730266.db2.gz GALFRHMAASWAHO-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050464445 343022742 /nfs/dbraw/zinc/02/27/42/343022742.db2.gz MFBKBKLOIFNRQZ-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050464447 350343653 /nfs/dbraw/zinc/34/36/53/350343653.db2.gz MFBKBKLOIFNRQZ-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000050465115 343022772 /nfs/dbraw/zinc/02/27/72/343022772.db2.gz FTYBCXFZJJDAFV-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050465342 387796829 /nfs/dbraw/zinc/79/68/29/387796829.db2.gz KFEWKIOGVQWAHM-ZJUUUORDSA-N 2 0 211.309 -0.208 20 0 BBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050465356 350343632 /nfs/dbraw/zinc/34/36/32/350343632.db2.gz KVPQNGYAFMSFHN-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050465357 350343656 /nfs/dbraw/zinc/34/36/56/350343656.db2.gz KVPQNGYAFMSFHN-AEJSXWLSSA-N 2 0 211.309 -0.208 20 0 BBADRP COC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000051284375 631426303 /nfs/dbraw/zinc/42/63/03/631426303.db2.gz YKJJTZWXXLMKDE-VIFPVBQESA-N 2 0 204.314 -0.090 20 0 BBADRP COC[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000051284377 632487430 /nfs/dbraw/zinc/48/74/30/632487430.db2.gz YKJJTZWXXLMKDE-SECBINFHSA-N 2 0 204.314 -0.090 20 0 BBADRP [NH3+]C1CCC(NC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000051694753 181341678 /nfs/dbraw/zinc/34/16/78/181341678.db2.gz LWHOXBBOUGIEDI-RTBKNWGFSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+]C1CCC(NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000051694754 181341231 /nfs/dbraw/zinc/34/12/31/181341231.db2.gz LWHOXBBOUGIEDI-UDNWOFFPSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+]C1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000051694852 411281485 /nfs/dbraw/zinc/28/14/85/411281485.db2.gz CVENORXGDGYGMS-UHFFFAOYSA-N 2 0 240.351 -0.722 20 0 BBADRP CNC(=O)[C@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000051889735 173306956 /nfs/dbraw/zinc/30/69/56/173306956.db2.gz BAZYJZBOGDHKIN-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP NC(=O)[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000051889741 181267306 /nfs/dbraw/zinc/26/73/06/181267306.db2.gz DVOTYZSTHLZQHQ-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP CC(C)[C@@H](CNC(N)=[NH2+])N1CC[NH+](C)CC1 ZINC000052020218 358771499 /nfs/dbraw/zinc/77/14/99/358771499.db2.gz CSWUWCJEDBKLSW-SNVBAGLBSA-N 2 0 227.356 -0.259 20 0 BBADRP CC(C)[C@H](CNC(N)=[NH2+])N1CC[NH+](C)CC1 ZINC000052020219 358771533 /nfs/dbraw/zinc/77/15/33/358771533.db2.gz CSWUWCJEDBKLSW-JTQLQIEISA-N 2 0 227.356 -0.259 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CCOC ZINC000052790687 632489013 /nfs/dbraw/zinc/48/90/13/632489013.db2.gz LYLRVHFUGPKULI-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CCOC ZINC000052790688 632489628 /nfs/dbraw/zinc/48/96/28/632489628.db2.gz LYLRVHFUGPKULI-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000052791425 632491263 /nfs/dbraw/zinc/49/12/63/632491263.db2.gz KLJIONJLTNZTEP-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000052791426 632492053 /nfs/dbraw/zinc/49/20/53/632492053.db2.gz KLJIONJLTNZTEP-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCN(C(C)C)CC1 ZINC000052791610 632492073 /nfs/dbraw/zinc/49/20/73/632492073.db2.gz QFPGRQSIFLURBS-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000052809603 632498721 /nfs/dbraw/zinc/49/87/21/632498721.db2.gz VCFPRMVURZALBT-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000052809604 632498561 /nfs/dbraw/zinc/49/85/61/632498561.db2.gz VCFPRMVURZALBT-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000052809675 632497658 /nfs/dbraw/zinc/49/76/58/632497658.db2.gz XZULUHGMLGNCNY-SECBINFHSA-N 2 0 231.340 -0.193 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000052809676 632497011 /nfs/dbraw/zinc/49/70/11/632497011.db2.gz XZULUHGMLGNCNY-VIFPVBQESA-N 2 0 231.340 -0.193 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000052810152 632498512 /nfs/dbraw/zinc/49/85/12/632498512.db2.gz VFRVZKFTAHGKFB-VHSXEESVSA-N 2 0 231.340 -0.193 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000052810153 632497723 /nfs/dbraw/zinc/49/77/23/632497723.db2.gz VFRVZKFTAHGKFB-NXEZZACHSA-N 2 0 231.340 -0.193 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000052810154 632497714 /nfs/dbraw/zinc/49/77/14/632497714.db2.gz VFRVZKFTAHGKFB-UWVGGRQHSA-N 2 0 231.340 -0.193 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000052810155 632498899 /nfs/dbraw/zinc/49/88/99/632498899.db2.gz VFRVZKFTAHGKFB-ZJUUUORDSA-N 2 0 231.340 -0.193 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000052810160 632498584 /nfs/dbraw/zinc/49/85/84/632498584.db2.gz CSULRHYLCSFRIA-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000052810161 632497783 /nfs/dbraw/zinc/49/77/83/632497783.db2.gz CSULRHYLCSFRIA-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@]([NH3+])(C(=O)NCC[NH3+])c1ccccc1 ZINC000052882705 384018623 /nfs/dbraw/zinc/01/86/23/384018623.db2.gz ODSFJNADYXSGBQ-LLVKDONJSA-N 2 0 207.277 -0.065 20 0 BBADRP C[C@@]([NH3+])(C(=O)NCC[NH3+])c1ccccc1 ZINC000052882706 384018389 /nfs/dbraw/zinc/01/83/89/384018389.db2.gz ODSFJNADYXSGBQ-NSHDSACASA-N 2 0 207.277 -0.065 20 0 BBADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298526 176286992 /nfs/dbraw/zinc/28/69/92/176286992.db2.gz WFNNJTSCRCXWGH-LLVKDONJSA-N 2 0 241.335 -0.471 20 0 BBADRP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000053298530 177247139 /nfs/dbraw/zinc/24/71/39/177247139.db2.gz WFNNJTSCRCXWGH-NSHDSACASA-N 2 0 241.335 -0.471 20 0 BBADRP C[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298626 176335628 /nfs/dbraw/zinc/33/56/28/176335628.db2.gz WGDNKINYSXOIDW-LLVKDONJSA-N 2 0 241.335 -0.471 20 0 BBADRP COCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298751 174275930 /nfs/dbraw/zinc/27/59/30/174275930.db2.gz FZYANTTVRTXRKB-UHFFFAOYSA-N 2 0 229.324 -0.614 20 0 BBADRP O=C(CC[NH+]1CCSCC1)N1CC[NH2+]CC1 ZINC000053299028 387021991 /nfs/dbraw/zinc/02/19/91/387021991.db2.gz FRIINBCCFXWACC-UHFFFAOYSA-N 2 0 243.376 -0.143 20 0 BBADRP O=C(CCN1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000053299073 385638134 /nfs/dbraw/zinc/63/81/34/385638134.db2.gz MBBZZUCKPQEWSX-UHFFFAOYSA-N 2 0 240.351 -0.896 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000054075577 348877909 /nfs/dbraw/zinc/87/79/09/348877909.db2.gz UMLITPLHTLSPJV-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054076771 385594853 /nfs/dbraw/zinc/59/48/53/385594853.db2.gz AJSBHTGZCVYKQG-DTWKUNHWSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054076773 385594383 /nfs/dbraw/zinc/59/43/83/385594383.db2.gz AJSBHTGZCVYKQG-IUCAKERBSA-N 2 0 211.309 -0.053 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000054109024 411239916 /nfs/dbraw/zinc/23/99/16/411239916.db2.gz CUNZOAPXFHKYFS-UHFFFAOYSA-N 2 0 242.367 -0.652 20 0 BBADRP CC[N@H+](C)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000054128920 386110236 /nfs/dbraw/zinc/11/02/36/386110236.db2.gz JQISSJCMDKQAGO-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000054132926 358854595 /nfs/dbraw/zinc/85/45/95/358854595.db2.gz TUAYFZCYQFSKQU-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+](C)C(C)C)C1 ZINC000054133377 348892418 /nfs/dbraw/zinc/89/24/18/348892418.db2.gz AWTVBCFVOIGHRN-WDEREUQCSA-N 2 0 243.351 -0.180 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000054133458 386109839 /nfs/dbraw/zinc/10/98/39/386109839.db2.gz RENZEHFYJXBOBT-JTQLQIEISA-N 2 0 229.324 -0.569 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000054133461 386110156 /nfs/dbraw/zinc/11/01/56/386110156.db2.gz RENZEHFYJXBOBT-SNVBAGLBSA-N 2 0 229.324 -0.569 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000054133628 386109877 /nfs/dbraw/zinc/10/98/77/386109877.db2.gz BDZVUCINRBXAIT-UWVGGRQHSA-N 2 0 229.324 -0.834 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000054133631 386111369 /nfs/dbraw/zinc/11/13/69/386111369.db2.gz BDZVUCINRBXAIT-VHSXEESVSA-N 2 0 229.324 -0.834 20 0 BBADRP C[NH+]1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC000054240498 636236014 /nfs/dbraw/zinc/23/60/14/636236014.db2.gz OVWHTRCRNOOAEQ-UHFFFAOYSA-N 2 0 249.380 -0.533 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000054341249 385570350 /nfs/dbraw/zinc/57/03/50/385570350.db2.gz DWIOXRBYDCNLBK-VHSXEESVSA-N 2 0 211.309 -0.112 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000054341251 385570101 /nfs/dbraw/zinc/57/01/01/385570101.db2.gz DWIOXRBYDCNLBK-NXEZZACHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000059931375 386487493 /nfs/dbraw/zinc/48/74/93/386487493.db2.gz VLTJZGXVOPPDHL-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000059931379 386487464 /nfs/dbraw/zinc/48/74/64/386487464.db2.gz VLTJZGXVOPPDHL-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@@H](O)C[N@H+](C)CCOCC[NH+](C)C[C@H](C)O ZINC000060086501 358921071 /nfs/dbraw/zinc/92/10/71/358921071.db2.gz YNCUAQMDYAMPMX-TXEJJXNPSA-N 2 0 248.367 -0.372 20 0 BBADRP C[C@@H](O)C[NH+](C)CCOCC[N@@H+](C)C[C@@H](C)O ZINC000060086505 358921051 /nfs/dbraw/zinc/92/10/51/358921051.db2.gz YNCUAQMDYAMPMX-VXGBXAGGSA-N 2 0 248.367 -0.372 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000061374603 343725018 /nfs/dbraw/zinc/72/50/18/343725018.db2.gz LDYNYZFSCYYMHN-BDAKNGLRSA-N 2 0 215.297 -0.972 20 0 BBADRP COCC[N@H+](C)CCNC(=O)CC[NH3+] ZINC000061379859 174276964 /nfs/dbraw/zinc/27/69/64/174276964.db2.gz SGALAMZSZUJDOY-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000061379869 358933017 /nfs/dbraw/zinc/93/30/17/358933017.db2.gz LVNGBIRAMKHRQL-UHFFFAOYSA-N 2 0 231.340 -0.334 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000061379887 174277711 /nfs/dbraw/zinc/27/77/11/174277711.db2.gz MDCYBOGJAZFSKL-LLVKDONJSA-N 2 0 245.367 -0.088 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000061379890 174277975 /nfs/dbraw/zinc/27/79/75/174277975.db2.gz MDCYBOGJAZFSKL-NSHDSACASA-N 2 0 245.367 -0.088 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000061379898 174277991 /nfs/dbraw/zinc/27/79/91/174277991.db2.gz QBXGKVZQBSSDHL-VIFPVBQESA-N 2 0 217.313 -0.724 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000061379901 174277765 /nfs/dbraw/zinc/27/77/65/174277765.db2.gz QBXGKVZQBSSDHL-SECBINFHSA-N 2 0 217.313 -0.724 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000061380437 174275994 /nfs/dbraw/zinc/27/59/94/174275994.db2.gz IDMUASXLDFFQAN-UHFFFAOYSA-N 2 0 217.313 -0.582 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000061380448 174277817 /nfs/dbraw/zinc/27/78/17/174277817.db2.gz GRPWEEGSYKWJSE-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H](C)[NH3+] ZINC000061380467 174278031 /nfs/dbraw/zinc/27/80/31/174278031.db2.gz VKYDHRNQKJMNPD-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000061380474 174277585 /nfs/dbraw/zinc/27/75/85/174277585.db2.gz DPWUZEKOFMUZMJ-JTQLQIEISA-N 2 0 231.340 -0.336 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000061380478 174276837 /nfs/dbraw/zinc/27/68/37/174276837.db2.gz LJEPGPCWHQGLLU-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000061380481 174277881 /nfs/dbraw/zinc/27/78/81/174277881.db2.gz LJEPGPCWHQGLLU-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCC(=O)NCC[N@H+](C)CCOC ZINC000061380485 173340075 /nfs/dbraw/zinc/34/00/75/173340075.db2.gz AHCZRHHYYNHZHS-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000061380487 134393272 /nfs/dbraw/zinc/39/32/72/134393272.db2.gz VKYDHRNQKJMNPD-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000061380527 174277592 /nfs/dbraw/zinc/27/75/92/174277592.db2.gz GRPWEEGSYKWJSE-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000061380530 174276328 /nfs/dbraw/zinc/27/63/28/174276328.db2.gz CDVGRNSSKMMIMS-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000061380533 174277092 /nfs/dbraw/zinc/27/70/92/174277092.db2.gz MWCCDXSYCFLOFM-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000061380535 174277319 /nfs/dbraw/zinc/27/73/19/174277319.db2.gz MWCCDXSYCFLOFM-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000061380538 174277972 /nfs/dbraw/zinc/27/79/72/174277972.db2.gz OFUVKZSDGQEKAB-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000061380543 174276545 /nfs/dbraw/zinc/27/65/45/174276545.db2.gz JZKORGXHXPDTNR-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000061380546 358933164 /nfs/dbraw/zinc/93/31/64/358933164.db2.gz DPWUZEKOFMUZMJ-SNVBAGLBSA-N 2 0 231.340 -0.336 20 0 BBADRP COCC[N@H+](C)CCNC(=O)CCC[NH3+] ZINC000061380606 174277658 /nfs/dbraw/zinc/27/76/58/174277658.db2.gz RBKSJTQFFJAMPQ-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000061380645 174275971 /nfs/dbraw/zinc/27/59/71/174275971.db2.gz GAFUBMSTKASRGL-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP COCC[N@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000061380652 349367574 /nfs/dbraw/zinc/36/75/74/349367574.db2.gz FEFKWEFUGYEQJO-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380698 134393528 /nfs/dbraw/zinc/39/35/28/134393528.db2.gz YXBQNZANZGKVOA-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380702 488092687 /nfs/dbraw/zinc/09/26/87/488092687.db2.gz YXBQNZANZGKVOA-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000061380708 487473808 /nfs/dbraw/zinc/47/38/08/487473808.db2.gz JETLMRUGNOZNDU-UHFFFAOYSA-N 2 0 231.340 -0.321 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000061380710 411157825 /nfs/dbraw/zinc/15/78/25/411157825.db2.gz RFRZUQOSHKELHH-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCCC(=O)NCC[N@H+](C)CCOC ZINC000061380715 173343609 /nfs/dbraw/zinc/34/36/09/173343609.db2.gz XHSZLPDCVIMULD-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000061380717 488092863 /nfs/dbraw/zinc/09/28/63/488092863.db2.gz ISPSYDLGYLFJDC-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000061380719 488092853 /nfs/dbraw/zinc/09/28/53/488092853.db2.gz ISPSYDLGYLFJDC-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000061380745 384756435 /nfs/dbraw/zinc/75/64/35/384756435.db2.gz JNNQUGPUTNWBDV-VIFPVBQESA-N 2 0 217.313 -0.711 20 0 BBADRP [NH3+]CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612670 349375819 /nfs/dbraw/zinc/37/58/19/349375819.db2.gz QNHXASIWBUQJTH-SNVBAGLBSA-N 2 0 207.277 -0.196 20 0 BBADRP [NH3+]CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612672 350517994 /nfs/dbraw/zinc/51/79/94/350517994.db2.gz QNHXASIWBUQJTH-JTQLQIEISA-N 2 0 207.277 -0.196 20 0 BBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000061641726 343727274 /nfs/dbraw/zinc/72/72/74/343727274.db2.gz SGAPRRGKXXGVEB-AEJSXWLSSA-N 2 0 211.309 -0.114 20 0 BBADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000061641727 368566570 /nfs/dbraw/zinc/56/65/70/368566570.db2.gz SGAPRRGKXXGVEB-BBBLOLIVSA-N 2 0 211.309 -0.114 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644830 641187343 /nfs/dbraw/zinc/18/73/43/641187343.db2.gz NLOXTPBFEMFQTO-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644831 640981877 /nfs/dbraw/zinc/98/18/77/640981877.db2.gz NLOXTPBFEMFQTO-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644832 640981531 /nfs/dbraw/zinc/98/15/31/640981531.db2.gz NLOXTPBFEMFQTO-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644833 640982408 /nfs/dbraw/zinc/98/24/08/640982408.db2.gz NLOXTPBFEMFQTO-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000061644923 411174664 /nfs/dbraw/zinc/17/46/64/411174664.db2.gz HVORBAYJRLABDO-QWRGUYRKSA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000061644924 411174472 /nfs/dbraw/zinc/17/44/72/411174472.db2.gz HVORBAYJRLABDO-MNOVXSKESA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000061644925 322859221 /nfs/dbraw/zinc/85/92/21/322859221.db2.gz HVORBAYJRLABDO-WDEREUQCSA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000061644926 384753686 /nfs/dbraw/zinc/75/36/86/384753686.db2.gz HVORBAYJRLABDO-GHMZBOCLSA-N 2 0 241.335 -0.473 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000062010152 536740588 /nfs/dbraw/zinc/74/05/88/536740588.db2.gz BHFFDEHZZMESLJ-WDEREUQCSA-N 2 0 241.335 -0.426 20 0 BBADRP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000062010161 386491025 /nfs/dbraw/zinc/49/10/25/386491025.db2.gz QNHQKIBDKPGLLD-JTQLQIEISA-N 2 0 227.308 -0.815 20 0 BBADRP C[N@H+](CCNC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000062010162 386489764 /nfs/dbraw/zinc/48/97/64/386489764.db2.gz QNHQKIBDKPGLLD-SNVBAGLBSA-N 2 0 227.308 -0.815 20 0 BBADRP C[N@H+](CCNC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000062010190 411277773 /nfs/dbraw/zinc/27/77/73/411277773.db2.gz OZEFKSALLGREHE-UHFFFAOYSA-N 2 0 240.351 -0.898 20 0 BBADRP C[N@H+](CCNC(=O)C[NH2+]C1CC1)C1CC1 ZINC000062010202 349436853 /nfs/dbraw/zinc/43/68/53/349436853.db2.gz UOCWOAAUHDCDBF-UHFFFAOYSA-N 2 0 211.309 -0.051 20 0 BBADRP COCCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000062031649 349615052 /nfs/dbraw/zinc/61/50/52/349615052.db2.gz GNNCLWPKQNMWKS-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP COCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000062031655 350537205 /nfs/dbraw/zinc/53/72/05/350537205.db2.gz VECVVCKHHOPKNW-UHFFFAOYSA-N 2 0 215.341 -0.140 20 0 BBADRP O=C1CC[N@H+](CC2CC[NH2+]CC2)CCN1 ZINC000062100573 182740040 /nfs/dbraw/zinc/74/00/40/182740040.db2.gz HGHUDZFTNUCMSC-UHFFFAOYSA-N 2 0 211.309 -0.192 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062112569 173011605 /nfs/dbraw/zinc/01/16/05/173011605.db2.gz KHJXJBSKXNLECK-SNVBAGLBSA-N 2 0 211.309 -0.240 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112570 173013417 /nfs/dbraw/zinc/01/34/17/173013417.db2.gz KHJXJBSKXNLECK-JTQLQIEISA-N 2 0 211.309 -0.240 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062112761 386566766 /nfs/dbraw/zinc/56/67/66/386566766.db2.gz NGXLMEJATXTAEE-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112762 386566687 /nfs/dbraw/zinc/56/66/87/386566687.db2.gz NGXLMEJATXTAEE-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP O=C(NCC[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000062112820 182184300 /nfs/dbraw/zinc/18/43/00/182184300.db2.gz OMZSMIBIISUCSD-JTQLQIEISA-N 2 0 211.309 -0.192 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062114225 173144869 /nfs/dbraw/zinc/14/48/69/173144869.db2.gz JTRMXBZHIDOGPS-NXEZZACHSA-N 2 0 211.309 -0.336 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062114226 173114761 /nfs/dbraw/zinc/11/47/61/173114761.db2.gz JTRMXBZHIDOGPS-VHSXEESVSA-N 2 0 211.309 -0.336 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000062114959 386502204 /nfs/dbraw/zinc/50/22/04/386502204.db2.gz ZQMWCKOJXCZEGG-GHMZBOCLSA-N 2 0 223.320 -0.098 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000062114960 386502103 /nfs/dbraw/zinc/50/21/03/386502103.db2.gz ZQMWCKOJXCZEGG-MNOVXSKESA-N 2 0 223.320 -0.098 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116962 174276902 /nfs/dbraw/zinc/27/69/02/174276902.db2.gz XSEZZQXJHSMZJM-SNVBAGLBSA-N 2 0 229.324 -0.710 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062116963 174277681 /nfs/dbraw/zinc/27/76/81/174277681.db2.gz XSEZZQXJHSMZJM-JTQLQIEISA-N 2 0 229.324 -0.710 20 0 BBADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000062117022 386568873 /nfs/dbraw/zinc/56/88/73/386568873.db2.gz DIRKSHUTDDFPLD-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@H+](CCNC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000062117023 386568215 /nfs/dbraw/zinc/56/82/15/386568215.db2.gz DIRKSHUTDDFPLD-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP CC[NH+](CC)CCCn1nnnc1C[NH3+] ZINC000062494546 411241476 /nfs/dbraw/zinc/24/14/76/411241476.db2.gz JZQNZANEDDZGDX-UHFFFAOYSA-N 2 0 212.301 -0.136 20 0 BBADRP C[C@]1(C(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000062853802 641099126 /nfs/dbraw/zinc/09/91/26/641099126.db2.gz KFTNOULSSQCQPU-NSHDSACASA-N 2 0 211.309 -0.192 20 0 BBADRP C[C@@]1(C(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000062853803 641097920 /nfs/dbraw/zinc/09/79/20/641097920.db2.gz KFTNOULSSQCQPU-LLVKDONJSA-N 2 0 211.309 -0.192 20 0 BBADRP CC[C@]1(C(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000062890698 386632752 /nfs/dbraw/zinc/63/27/52/386632752.db2.gz KXNJHJXEKPUZFZ-NSHDSACASA-N 2 0 211.309 -0.192 20 0 BBADRP CC[C@@]1(C(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000062890699 386632295 /nfs/dbraw/zinc/63/22/95/386632295.db2.gz KXNJHJXEKPUZFZ-LLVKDONJSA-N 2 0 211.309 -0.192 20 0 BBADRP C[C@]1(C(=O)N2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000062890756 384898722 /nfs/dbraw/zinc/89/87/22/384898722.db2.gz XFWQALLVTJYFAC-NSHDSACASA-N 2 0 211.309 -0.192 20 0 BBADRP C[C@@]1(C(=O)N2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000062890757 384898464 /nfs/dbraw/zinc/89/84/64/384898464.db2.gz XFWQALLVTJYFAC-LLVKDONJSA-N 2 0 211.309 -0.192 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062904685 174278041 /nfs/dbraw/zinc/27/80/41/174278041.db2.gz SPUXQCHHUFMUOH-LBPRGKRZSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062904688 174277886 /nfs/dbraw/zinc/27/78/86/174277886.db2.gz SPUXQCHHUFMUOH-GFCCVEGCSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942893 386648560 /nfs/dbraw/zinc/64/85/60/386648560.db2.gz VBUCDKYMLKEYBR-SNVBAGLBSA-N 2 0 211.309 -0.098 20 0 BBADRP C[NH2+]CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942894 386647296 /nfs/dbraw/zinc/64/72/96/386647296.db2.gz VBUCDKYMLKEYBR-JTQLQIEISA-N 2 0 211.309 -0.098 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000062971969 387188687 /nfs/dbraw/zinc/18/86/87/387188687.db2.gz IZRJXIMPRCSNSS-OUAUKWLOSA-N 2 0 241.335 -0.474 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000062971970 174770000 /nfs/dbraw/zinc/77/00/00/174770000.db2.gz IZRJXIMPRCSNSS-GARJFASQSA-N 2 0 241.335 -0.474 20 0 BBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062972045 411334095 /nfs/dbraw/zinc/33/40/95/411334095.db2.gz NDVOGKFBVBTNLM-NXEZZACHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062972046 411334676 /nfs/dbraw/zinc/33/46/76/411334676.db2.gz NDVOGKFBVBTNLM-ZJUUUORDSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000062972047 411334337 /nfs/dbraw/zinc/33/43/37/411334337.db2.gz NDVOGKFBVBTNLM-VHSXEESVSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000062972048 411334615 /nfs/dbraw/zinc/33/46/15/411334615.db2.gz NDVOGKFBVBTNLM-UWVGGRQHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000062972137 323088764 /nfs/dbraw/zinc/08/87/64/323088764.db2.gz RGPCDDFILNMZKK-NXEZZACHSA-N 2 0 227.308 -0.863 20 0 BBADRP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000062972138 323088785 /nfs/dbraw/zinc/08/87/85/323088785.db2.gz RGPCDDFILNMZKK-VHSXEESVSA-N 2 0 227.308 -0.863 20 0 BBADRP C[NH2+]CC1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000063165868 173338670 /nfs/dbraw/zinc/33/86/70/173338670.db2.gz KAQXCLNNTGALRG-UHFFFAOYSA-N 2 0 242.323 -0.497 20 0 BBADRP CNC(=O)NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166042 173338896 /nfs/dbraw/zinc/33/88/96/173338896.db2.gz DESXWRFLVQTGCP-UHFFFAOYSA-N 2 0 242.323 -0.627 20 0 BBADRP C[NH2+]CC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000063166118 370136812 /nfs/dbraw/zinc/13/68/12/370136812.db2.gz MLEPYNVFMPCJGH-UHFFFAOYSA-N 2 0 228.296 -0.887 20 0 BBADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000063166178 173338785 /nfs/dbraw/zinc/33/87/85/173338785.db2.gz HPFJCMTYOPJWLQ-QMMMGPOBSA-N 2 0 242.323 -0.499 20 0 BBADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000063166179 173338704 /nfs/dbraw/zinc/33/87/04/173338704.db2.gz HPFJCMTYOPJWLQ-MRVPVSSYSA-N 2 0 242.323 -0.499 20 0 BBADRP COC[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178265 386541984 /nfs/dbraw/zinc/54/19/84/386541984.db2.gz DPYPIZYTGKQPTF-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178268 386541799 /nfs/dbraw/zinc/54/17/99/386541799.db2.gz DPYPIZYTGKQPTF-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179621 174306676 /nfs/dbraw/zinc/30/66/76/174306676.db2.gz SIXCOMSOPKEHCX-JTQLQIEISA-N 2 0 229.324 -0.580 20 0 BBADRP COCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179626 174306777 /nfs/dbraw/zinc/30/67/77/174306777.db2.gz SIXCOMSOPKEHCX-SNVBAGLBSA-N 2 0 229.324 -0.580 20 0 BBADRP COCCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179864 411347635 /nfs/dbraw/zinc/34/76/35/411347635.db2.gz WDDLQCDPYZNEOZ-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP COCCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179867 411347461 /nfs/dbraw/zinc/34/74/61/411347461.db2.gz WDDLQCDPYZNEOZ-LLVKDONJSA-N 2 0 243.351 -0.190 20 0 BBADRP CC(C)(O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180099 386541080 /nfs/dbraw/zinc/54/10/80/386541080.db2.gz KATLAYZGJHTNDN-JTQLQIEISA-N 2 0 243.351 -0.456 20 0 BBADRP CC(C)(O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180100 188223979 /nfs/dbraw/zinc/22/39/79/188223979.db2.gz KATLAYZGJHTNDN-SNVBAGLBSA-N 2 0 243.351 -0.456 20 0 BBADRP CC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180104 641146459 /nfs/dbraw/zinc/14/64/59/641146459.db2.gz IGXIOXYIODNASG-QWRGUYRKSA-N 2 0 243.351 -0.456 20 0 BBADRP C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180107 641145965 /nfs/dbraw/zinc/14/59/65/641145965.db2.gz WQTMCTRXSQSJAS-UWVGGRQHSA-N 2 0 229.324 -0.846 20 0 BBADRP C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180109 641146086 /nfs/dbraw/zinc/14/60/86/641146086.db2.gz WQTMCTRXSQSJAS-ZJUUUORDSA-N 2 0 229.324 -0.846 20 0 BBADRP CCOCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180217 170397961 /nfs/dbraw/zinc/39/79/61/170397961.db2.gz JLVCSMLFJVRDNY-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP CCOCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180219 170398166 /nfs/dbraw/zinc/39/81/66/170398166.db2.gz JLVCSMLFJVRDNY-LLVKDONJSA-N 2 0 243.351 -0.190 20 0 BBADRP COCCNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000066244988 643165392 /nfs/dbraw/zinc/16/53/92/643165392.db2.gz CZPOJKIBSBVHMI-UHFFFAOYSA-N 2 0 216.329 -0.123 20 0 BBADRP COCCNC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000066245514 632861634 /nfs/dbraw/zinc/86/16/34/632861634.db2.gz PGWGBCFMTYHFOE-UHFFFAOYSA-N 2 0 246.355 -0.495 20 0 BBADRP CNC(NCCC[N@H+](C)CCOC)=[NH+]C ZINC000066245521 632861789 /nfs/dbraw/zinc/86/17/89/632861789.db2.gz HLCJUEWHCSPWLI-UHFFFAOYSA-N 2 0 216.329 -0.251 20 0 BBADRP COCCNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000066246563 643165443 /nfs/dbraw/zinc/16/54/43/643165443.db2.gz MCBOVNYGKGFFDI-UHFFFAOYSA-N 2 0 216.329 -0.123 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000068805580 173077105 /nfs/dbraw/zinc/07/71/05/173077105.db2.gz JONUVJUDDFHOAG-SNVBAGLBSA-N 2 0 242.367 -0.667 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000068805584 173073823 /nfs/dbraw/zinc/07/38/23/173073823.db2.gz JONUVJUDDFHOAG-JTQLQIEISA-N 2 0 242.367 -0.667 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807398 187272470 /nfs/dbraw/zinc/27/24/70/187272470.db2.gz DMOSOBNMKNJMOO-MNOVXSKESA-N 2 0 242.367 -0.668 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807404 384927030 /nfs/dbraw/zinc/92/70/30/384927030.db2.gz DMOSOBNMKNJMOO-GHMZBOCLSA-N 2 0 242.367 -0.668 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807406 188301479 /nfs/dbraw/zinc/30/14/79/188301479.db2.gz DMOSOBNMKNJMOO-QWRGUYRKSA-N 2 0 242.367 -0.668 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807409 384927346 /nfs/dbraw/zinc/92/73/46/384927346.db2.gz DMOSOBNMKNJMOO-WDEREUQCSA-N 2 0 242.367 -0.668 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807476 350288578 /nfs/dbraw/zinc/28/85/78/350288578.db2.gz DBNBHHCRIUIARX-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807479 387108666 /nfs/dbraw/zinc/10/86/66/387108666.db2.gz DBNBHHCRIUIARX-GHMZBOCLSA-N 2 0 242.367 -0.524 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807485 387107601 /nfs/dbraw/zinc/10/76/01/387107601.db2.gz DBNBHHCRIUIARX-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807488 387107929 /nfs/dbraw/zinc/10/79/29/387107929.db2.gz DBNBHHCRIUIARX-WDEREUQCSA-N 2 0 242.367 -0.524 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000068807558 173075560 /nfs/dbraw/zinc/07/55/60/173075560.db2.gz LAKFYQQMXMSDRK-MNOVXSKESA-N 2 0 240.351 -0.900 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000068807947 490131284 /nfs/dbraw/zinc/13/12/84/490131284.db2.gz VTSHQMXTSSSQJT-LLVKDONJSA-N 2 0 242.367 -0.654 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000068807949 490131745 /nfs/dbraw/zinc/13/17/45/490131745.db2.gz VTSHQMXTSSSQJT-NSHDSACASA-N 2 0 242.367 -0.654 20 0 BBADRP CNC(=O)CCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000068819982 411416289 /nfs/dbraw/zinc/41/62/89/411416289.db2.gz URQQWNRJKXNBAS-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP COCCN(C)CC[NH2+]C[C@H](O)COC ZINC000068892037 323086460 /nfs/dbraw/zinc/08/64/60/323086460.db2.gz JHRHGYPFYFESMA-JTQLQIEISA-N 2 0 220.313 -0.839 20 0 BBADRP COC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000068892312 643433225 /nfs/dbraw/zinc/43/32/25/643433225.db2.gz NJJIZFYMELGRCO-JTQLQIEISA-N 2 0 202.298 -0.323 20 0 BBADRP COC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000068892313 643432291 /nfs/dbraw/zinc/43/22/91/643432291.db2.gz NJJIZFYMELGRCO-SNVBAGLBSA-N 2 0 202.298 -0.323 20 0 BBADRP COC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000068892324 642806604 /nfs/dbraw/zinc/80/66/04/642806604.db2.gz STQLWOAWKFYGCB-SNVBAGLBSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000068892325 642807119 /nfs/dbraw/zinc/80/71/19/642807119.db2.gz STQLWOAWKFYGCB-JTQLQIEISA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000068892327 643433068 /nfs/dbraw/zinc/43/30/68/643433068.db2.gz GXWLXIFWJVFUFW-ZJUUUORDSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@@H](O)CN1CCCC[C@@H]1C[NH3+] ZINC000068892329 642806206 /nfs/dbraw/zinc/80/62/06/642806206.db2.gz XQEXRAWSHMDUQM-ZJUUUORDSA-N 2 0 202.298 -0.193 20 0 BBADRP C[NH2+]CC1CC[NH+](C[C@H](O)COC)CC1 ZINC000068892340 643433538 /nfs/dbraw/zinc/43/35/38/643433538.db2.gz MQNQUPXLTVQVBJ-NSHDSACASA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]CC1CC[NH+](C[C@@H](O)COC)CC1 ZINC000068892341 643432955 /nfs/dbraw/zinc/43/29/55/643432955.db2.gz MQNQUPXLTVQVBJ-LLVKDONJSA-N 2 0 216.325 -0.075 20 0 BBADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000068953533 643437469 /nfs/dbraw/zinc/43/74/69/643437469.db2.gz HTQKYNJLUDTBTO-NXEZZACHSA-N 2 0 202.298 -0.336 20 0 BBADRP CCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000068953535 643436699 /nfs/dbraw/zinc/43/66/99/643436699.db2.gz HTQKYNJLUDTBTO-ZJUUUORDSA-N 2 0 202.298 -0.336 20 0 BBADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000068953568 643437676 /nfs/dbraw/zinc/43/76/76/643437676.db2.gz OSMQDHRPHYJMTK-GHMZBOCLSA-N 2 0 216.325 -0.075 20 0 BBADRP CCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000068953571 643437554 /nfs/dbraw/zinc/43/75/54/643437554.db2.gz OSMQDHRPHYJMTK-MNOVXSKESA-N 2 0 216.325 -0.075 20 0 BBADRP CCOC[C@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000069274224 711478202 /nfs/dbraw/zinc/47/82/02/711478202.db2.gz MTHCMIMKOUVSGU-SNVBAGLBSA-N 2 0 202.298 -0.193 20 0 BBADRP CCOC[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000069274227 642844251 /nfs/dbraw/zinc/84/42/51/642844251.db2.gz MTHCMIMKOUVSGU-JTQLQIEISA-N 2 0 202.298 -0.193 20 0 BBADRP CCOC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000069280104 642846026 /nfs/dbraw/zinc/84/60/26/642846026.db2.gz NWKLDOCZWYCVMX-GFCCVEGCSA-N 2 0 245.367 -0.779 20 0 BBADRP CCOC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000069280109 642846005 /nfs/dbraw/zinc/84/60/05/642846005.db2.gz NWKLDOCZWYCVMX-LBPRGKRZSA-N 2 0 245.367 -0.779 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000069606414 388852159 /nfs/dbraw/zinc/85/21/59/388852159.db2.gz NTFZYMASMWHGGY-LLVKDONJSA-N 2 0 213.325 -0.388 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000069606415 388851176 /nfs/dbraw/zinc/85/11/76/388851176.db2.gz NTFZYMASMWHGGY-NSHDSACASA-N 2 0 213.325 -0.388 20 0 BBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626348 349951080 /nfs/dbraw/zinc/95/10/80/349951080.db2.gz IOZJYRUOOIAEQZ-MRVPVSSYSA-N 2 0 228.296 -0.758 20 0 BBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626350 349951026 /nfs/dbraw/zinc/95/10/26/349951026.db2.gz IOZJYRUOOIAEQZ-QMMMGPOBSA-N 2 0 228.296 -0.758 20 0 BBADRP CN(C)c1ncc(C[NH2+]CCC(N)=O)n1C ZINC000069718019 385854709 /nfs/dbraw/zinc/85/47/09/385854709.db2.gz UPBMAXBQTBZLGA-UHFFFAOYSA-N 2 0 225.296 -0.549 20 0 BBADRP NC(=O)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729967 349953762 /nfs/dbraw/zinc/95/37/62/349953762.db2.gz XMUKNKTWZOLYPR-UHFFFAOYSA-N 2 0 228.296 -0.758 20 0 BBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000069792246 349960684 /nfs/dbraw/zinc/96/06/84/349960684.db2.gz DBZQCTXKVOIPDU-SNVBAGLBSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000069792248 349960457 /nfs/dbraw/zinc/96/04/57/349960457.db2.gz DBZQCTXKVOIPDU-JTQLQIEISA-N 2 0 223.320 -0.192 20 0 BBADRP C[NH2+]CCN(C)C(=O)COC1CC[NH2+]CC1 ZINC000069803121 349960355 /nfs/dbraw/zinc/96/03/55/349960355.db2.gz SVTXCZVITQNUSU-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]1CSCN1 ZINC000069803182 349960800 /nfs/dbraw/zinc/96/08/00/349960800.db2.gz IPFZXBHOLOXUMA-ZETCQYMHSA-N 2 0 203.311 -0.673 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]1CSCN1 ZINC000069803184 349960763 /nfs/dbraw/zinc/96/07/63/349960763.db2.gz IPFZXBHOLOXUMA-SSDOTTSWSA-N 2 0 203.311 -0.673 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000069803312 349960857 /nfs/dbraw/zinc/96/08/57/349960857.db2.gz MAZBYHUMTUNLBS-DTWKUNHWSA-N 2 0 215.297 -0.959 20 0 BBADRP COCC[N@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000069840245 174277491 /nfs/dbraw/zinc/27/74/91/174277491.db2.gz BSAYIAZCKIPZQT-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP COCC[N@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000069840246 174277978 /nfs/dbraw/zinc/27/79/78/174277978.db2.gz BSAYIAZCKIPZQT-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074299 387044357 /nfs/dbraw/zinc/04/43/57/387044357.db2.gz XARKYGPWPNDGMH-DTWKUNHWSA-N 2 0 242.323 -0.369 20 0 BBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074300 176568782 /nfs/dbraw/zinc/56/87/82/176568782.db2.gz XARKYGPWPNDGMH-RKDXNWHRSA-N 2 0 242.323 -0.369 20 0 BBADRP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149446 398220845 /nfs/dbraw/zinc/22/08/45/398220845.db2.gz KMZZMJUZWHBNRD-VIFPVBQESA-N 2 0 242.323 -0.225 20 0 BBADRP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149447 398221105 /nfs/dbraw/zinc/22/11/05/398221105.db2.gz KMZZMJUZWHBNRD-SECBINFHSA-N 2 0 242.323 -0.225 20 0 BBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170517 387046190 /nfs/dbraw/zinc/04/61/90/387046190.db2.gz INQWDNKPNAEBBR-SECBINFHSA-N 2 0 242.323 -0.368 20 0 BBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170518 387047003 /nfs/dbraw/zinc/04/70/03/387047003.db2.gz INQWDNKPNAEBBR-VIFPVBQESA-N 2 0 242.323 -0.368 20 0 BBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170950 173286750 /nfs/dbraw/zinc/28/67/50/173286750.db2.gz OBQORFHTNAYPMP-SECBINFHSA-N 2 0 242.323 -0.497 20 0 BBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170951 173287065 /nfs/dbraw/zinc/28/70/65/173287065.db2.gz OBQORFHTNAYPMP-VIFPVBQESA-N 2 0 242.323 -0.497 20 0 BBADRP NC(=O)NC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000070188095 349965745 /nfs/dbraw/zinc/96/57/45/349965745.db2.gz IZJHQMAZHZYNBM-UHFFFAOYSA-N 2 0 242.323 -0.368 20 0 BBADRP CNC(=O)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188256 349975861 /nfs/dbraw/zinc/97/58/61/349975861.db2.gz BWGNSAPQOOHXBS-UHFFFAOYSA-N 2 0 242.323 -0.497 20 0 BBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188402 345473674 /nfs/dbraw/zinc/47/36/74/345473674.db2.gz SBWWTEZAAPIIIY-QMMMGPOBSA-N 2 0 242.323 -0.369 20 0 BBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188403 345474014 /nfs/dbraw/zinc/47/40/14/345474014.db2.gz SBWWTEZAAPIIIY-MRVPVSSYSA-N 2 0 242.323 -0.369 20 0 BBADRP C[NH2+]CCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000070189704 349975688 /nfs/dbraw/zinc/97/56/88/349975688.db2.gz JHRDKZVVIHXKSE-UHFFFAOYSA-N 2 0 242.323 -0.497 20 0 BBADRP COCCOCC[NH+]1CCN(CCC[NH3+])CC1 ZINC000070480537 411170090 /nfs/dbraw/zinc/17/00/90/411170090.db2.gz FMOJPHJXNXGGRQ-UHFFFAOYSA-N 2 0 245.367 -0.384 20 0 BBADRP COCCOCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070481636 411170194 /nfs/dbraw/zinc/17/01/94/411170194.db2.gz HJTVOYUWNDJZCM-UHFFFAOYSA-N 2 0 245.367 -0.514 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000070502754 385872292 /nfs/dbraw/zinc/87/22/92/385872292.db2.gz BVDZRXKGHDTKGC-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000070502755 385873172 /nfs/dbraw/zinc/87/31/72/385873172.db2.gz BVDZRXKGHDTKGC-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCNC(=O)c1ccccc1CC[NH3+] ZINC000070542062 350019552 /nfs/dbraw/zinc/01/95/52/350019552.db2.gz VISYTWNRIHXMFK-UHFFFAOYSA-N 2 0 207.277 -0.124 20 0 BBADRP COC[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000070558924 643042347 /nfs/dbraw/zinc/04/23/47/643042347.db2.gz MDZJYZQKGDSIRH-NSHDSACASA-N 2 0 216.325 -0.075 20 0 BBADRP COC[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000070558925 643043314 /nfs/dbraw/zinc/04/33/14/643043314.db2.gz MDZJYZQKGDSIRH-LLVKDONJSA-N 2 0 216.325 -0.075 20 0 BBADRP CN1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000070583829 350543214 /nfs/dbraw/zinc/54/32/14/350543214.db2.gz ZEYYITATJQRILX-JTQLQIEISA-N 2 0 211.309 -0.112 20 0 BBADRP CN1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000070583830 361569899 /nfs/dbraw/zinc/56/98/99/361569899.db2.gz ZEYYITATJQRILX-SNVBAGLBSA-N 2 0 211.309 -0.112 20 0 BBADRP C[C@]1(C(=O)N2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000070618767 350032022 /nfs/dbraw/zinc/03/20/22/350032022.db2.gz ZIVNGRHKHGWLGN-LLVKDONJSA-N 2 0 211.309 -0.050 20 0 BBADRP C[C@@]1(C(=O)N2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000070618768 350032026 /nfs/dbraw/zinc/03/20/26/350032026.db2.gz ZIVNGRHKHGWLGN-NSHDSACASA-N 2 0 211.309 -0.050 20 0 BBADRP C[NH2+]C[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC000070799905 173380564 /nfs/dbraw/zinc/38/05/64/173380564.db2.gz ICFSURSCOXWOLQ-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000070800405 350059195 /nfs/dbraw/zinc/05/91/95/350059195.db2.gz XSJTWUSQVWMZFK-LBPRGKRZSA-N 2 0 227.352 -0.140 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000070800407 350059604 /nfs/dbraw/zinc/05/96/04/350059604.db2.gz XSJTWUSQVWMZFK-GFCCVEGCSA-N 2 0 227.352 -0.140 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)CC(C)(C)O ZINC000070800563 411183558 /nfs/dbraw/zinc/18/35/58/411183558.db2.gz PXUJXKWMLKYBAS-UHFFFAOYSA-N 2 0 215.341 -0.406 20 0 BBADRP CC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800569 643069584 /nfs/dbraw/zinc/06/95/84/643069584.db2.gz DXEOJROTABSEOK-NSHDSACASA-N 2 0 215.341 -0.406 20 0 BBADRP C[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800573 643070210 /nfs/dbraw/zinc/07/02/10/643070210.db2.gz JULZICFJBALQEM-JTQLQIEISA-N 2 0 201.314 -0.796 20 0 BBADRP C[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800574 643069767 /nfs/dbraw/zinc/06/97/67/643069767.db2.gz JULZICFJBALQEM-SNVBAGLBSA-N 2 0 201.314 -0.796 20 0 BBADRP CC[C@@H](C(N)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800584 411183578 /nfs/dbraw/zinc/18/35/78/411183578.db2.gz JREIDFOPCAMOKQ-JTQLQIEISA-N 2 0 228.340 -0.913 20 0 BBADRP CC[C@H](C(N)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800587 411183774 /nfs/dbraw/zinc/18/37/74/411183774.db2.gz JREIDFOPCAMOKQ-SNVBAGLBSA-N 2 0 228.340 -0.913 20 0 BBADRP Cn1ccnc1CNC(=O)C[NH2+]C1CC1 ZINC000070854960 350068667 /nfs/dbraw/zinc/06/86/67/350068667.db2.gz KJFZSBVTTBPIHW-UHFFFAOYSA-N 2 0 208.265 -0.212 20 0 BBADRP O[C@H](C[NH2+]C[C@H](O)C1CC1)C[NH+]1CCCC1 ZINC000070886337 411275229 /nfs/dbraw/zinc/27/52/29/411275229.db2.gz RLZUXPSCUHKIIJ-NEPJUHHUSA-N 2 0 228.336 -0.196 20 0 BBADRP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000070886344 411275167 /nfs/dbraw/zinc/27/51/67/411275167.db2.gz RLZUXPSCUHKIIJ-RYUDHWBXSA-N 2 0 228.336 -0.196 20 0 BBADRP O[C@H](C[NH2+]C[C@@H](O)C1CC1)C[NH+]1CCCC1 ZINC000070886348 411274946 /nfs/dbraw/zinc/27/49/46/411274946.db2.gz RLZUXPSCUHKIIJ-VXGBXAGGSA-N 2 0 228.336 -0.196 20 0 BBADRP O[C@@H](C[NH2+]C[C@@H](O)C1CC1)C[NH+]1CCCC1 ZINC000070886353 411275149 /nfs/dbraw/zinc/27/51/49/411275149.db2.gz RLZUXPSCUHKIIJ-NWDGAFQWSA-N 2 0 228.336 -0.196 20 0 BBADRP C[NH2+]C[C@H]1CCN(CC(=O)N2CCOCC2)C1 ZINC000071146286 173381044 /nfs/dbraw/zinc/38/10/44/173381044.db2.gz YUSUAJUEJZCHHV-LLVKDONJSA-N 2 0 241.335 -0.614 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146599 173369934 /nfs/dbraw/zinc/36/99/34/173369934.db2.gz CMLKVOGGZIZDSQ-VIFPVBQESA-N 2 0 242.323 -0.627 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146601 173380623 /nfs/dbraw/zinc/38/06/23/173380623.db2.gz CMLKVOGGZIZDSQ-SECBINFHSA-N 2 0 242.323 -0.627 20 0 BBADRP COC(=O)CCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150207 343623646 /nfs/dbraw/zinc/62/36/46/343623646.db2.gz VDMRWIUNIFGFEO-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP COC(=O)[C@@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150581 387094941 /nfs/dbraw/zinc/09/49/41/387094941.db2.gz QLOXJKXPOPBXSW-NSHDSACASA-N 2 0 243.351 -0.368 20 0 BBADRP COC(=O)[C@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150583 187359333 /nfs/dbraw/zinc/35/93/33/187359333.db2.gz QLOXJKXPOPBXSW-LLVKDONJSA-N 2 0 243.351 -0.368 20 0 BBADRP CN(C)C(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150885 384662044 /nfs/dbraw/zinc/66/20/44/384662044.db2.gz OZTQHRBUCDRETO-UHFFFAOYSA-N 2 0 242.367 -0.698 20 0 BBADRP C[N@H+](CCn1cccn1)CCN1CC[NH2+]CC1 ZINC000071150907 387093958 /nfs/dbraw/zinc/09/39/58/387093958.db2.gz MDTRKZVELSUTDQ-UHFFFAOYSA-N 2 0 237.351 -0.280 20 0 BBADRP CCOC(=O)[C@@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000071150926 343623720 /nfs/dbraw/zinc/62/37/20/343623720.db2.gz FCBIMLGCYDRWBU-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP CCOC(=O)[C@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000071150928 343623410 /nfs/dbraw/zinc/62/34/10/343623410.db2.gz FCBIMLGCYDRWBU-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP CN1CC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000071184675 411357201 /nfs/dbraw/zinc/35/72/01/411357201.db2.gz AKNIZCKFBVZAMV-NSHDSACASA-N 2 0 240.351 -0.946 20 0 BBADRP CN1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000071184676 411356573 /nfs/dbraw/zinc/35/65/73/411356573.db2.gz AKNIZCKFBVZAMV-LLVKDONJSA-N 2 0 240.351 -0.946 20 0 BBADRP CCN1CCO[C@H](C(=O)NCC[N@H+](C)CC)C1 ZINC000073644122 368811747 /nfs/dbraw/zinc/81/17/47/368811747.db2.gz OEUDGAUDTMTTKE-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP CCN1CCO[C@@H](C(=O)NCC[N@H+](C)CC)C1 ZINC000073644124 368812362 /nfs/dbraw/zinc/81/23/62/368812362.db2.gz OEUDGAUDTMTTKE-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)C[NH3+] ZINC000076619333 388582018 /nfs/dbraw/zinc/58/20/18/388582018.db2.gz XDZGAFOWFAMKQI-UHFFFAOYSA-N 2 0 236.319 -0.070 20 0 BBADRP C[N@H+](CCS(N)(=O)=O)CC1CC[NH+](C)CC1 ZINC000077282172 711464471 /nfs/dbraw/zinc/46/44/71/711464471.db2.gz QQPYHOYRRBERCV-UHFFFAOYSA-N 2 0 249.380 -0.452 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000077386452 343052812 /nfs/dbraw/zinc/05/28/12/343052812.db2.gz FYGSJYWZXMZGNP-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000077386462 344069234 /nfs/dbraw/zinc/06/92/34/344069234.db2.gz FYGSJYWZXMZGNP-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000077391334 325376917 /nfs/dbraw/zinc/37/69/17/325376917.db2.gz IQGUARYAKQIVFP-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000077558801 387397216 /nfs/dbraw/zinc/39/72/16/387397216.db2.gz JYPTYKPENCCSJZ-SECBINFHSA-N 2 0 231.365 -0.111 20 0 BBADRP COC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078441463 370564736 /nfs/dbraw/zinc/56/47/36/370564736.db2.gz VWALFNPDEPHDOU-KXUCPTDWSA-N 2 0 200.282 -0.855 20 0 BBADRP COC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078441465 370564075 /nfs/dbraw/zinc/56/40/75/370564075.db2.gz VWALFNPDEPHDOU-AEJSXWLSSA-N 2 0 200.282 -0.855 20 0 BBADRP COC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000078441468 370563869 /nfs/dbraw/zinc/56/38/69/370563869.db2.gz VWALFNPDEPHDOU-OPRDCNLKSA-N 2 0 200.282 -0.855 20 0 BBADRP COC[C@@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000078441471 490114288 /nfs/dbraw/zinc/11/42/88/490114288.db2.gz VWALFNPDEPHDOU-BBBLOLIVSA-N 2 0 200.282 -0.855 20 0 BBADRP [NH3+]CCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000078538936 368410675 /nfs/dbraw/zinc/41/06/75/368410675.db2.gz DZSGUGVZKPXHKB-SECBINFHSA-N 2 0 211.309 -0.159 20 0 BBADRP [NH3+]CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000078538940 368413083 /nfs/dbraw/zinc/41/30/83/368413083.db2.gz DZSGUGVZKPXHKB-VIFPVBQESA-N 2 0 211.309 -0.159 20 0 BBADRP CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078642977 370583544 /nfs/dbraw/zinc/58/35/44/370583544.db2.gz SBYGLOSIXNTVRE-OUAUKWLOSA-N 2 0 214.309 -0.465 20 0 BBADRP CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000078642980 370583609 /nfs/dbraw/zinc/58/36/09/370583609.db2.gz SBYGLOSIXNTVRE-AXFHLTTASA-N 2 0 214.309 -0.465 20 0 BBADRP CCOC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000078642987 370583743 /nfs/dbraw/zinc/58/37/43/370583743.db2.gz SBYGLOSIXNTVRE-GMTAPVOTSA-N 2 0 214.309 -0.465 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079521204 487641381 /nfs/dbraw/zinc/64/13/81/487641381.db2.gz PUPMJLPKOIWWBA-LBPRGKRZSA-N 2 0 243.351 -0.177 20 0 BBADRP O=C([C@H]1CCCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000080993950 384178973 /nfs/dbraw/zinc/17/89/73/384178973.db2.gz DMEVKFIDVQJUPK-SNVBAGLBSA-N 2 0 211.309 -0.050 20 0 BBADRP O=C([C@@H]1CCCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000080993952 384178388 /nfs/dbraw/zinc/17/83/88/384178388.db2.gz DMEVKFIDVQJUPK-JTQLQIEISA-N 2 0 211.309 -0.050 20 0 BBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H](C)[NH3+])CC1 ZINC000082255903 388019233 /nfs/dbraw/zinc/01/92/33/388019233.db2.gz XTKJIIBMARGJDH-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN(CCCNC(=O)[C@H](C)[NH3+])CC1 ZINC000082255904 388018810 /nfs/dbraw/zinc/01/88/10/388018810.db2.gz XTKJIIBMARGJDH-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP O=C(NC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000082259253 388019871 /nfs/dbraw/zinc/01/98/71/388019871.db2.gz IGLCDTWNAPYUSG-JTQLQIEISA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000082259254 388019029 /nfs/dbraw/zinc/01/90/29/388019029.db2.gz IGLCDTWNAPYUSG-SNVBAGLBSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000082259466 384213788 /nfs/dbraw/zinc/21/37/88/384213788.db2.gz WSFKCYMAYLMPNM-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH+](C)CCNC(=O)c1c[nH+]ccc1N ZINC000082303126 172462773 /nfs/dbraw/zinc/46/27/73/172462773.db2.gz BUUWLUGHJLCBFW-UHFFFAOYSA-N 2 0 208.265 -0.045 20 0 BBADRP C[NH+](C)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000082339934 325538003 /nfs/dbraw/zinc/53/80/03/325538003.db2.gz ORGROHPXONKWCS-UHFFFAOYSA-N 2 0 228.340 -0.059 20 0 BBADRP CNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000082393530 343440656 /nfs/dbraw/zinc/44/06/56/343440656.db2.gz NDULMFGQAYCHDX-RKDXNWHRSA-N 2 0 212.297 -0.407 20 0 BBADRP CNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000082393531 173210362 /nfs/dbraw/zinc/21/03/62/173210362.db2.gz NDULMFGQAYCHDX-BDAKNGLRSA-N 2 0 212.297 -0.407 20 0 BBADRP CCOCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000082420493 487624609 /nfs/dbraw/zinc/62/46/09/487624609.db2.gz VSTXSORKPLZJEO-UHFFFAOYSA-N 2 0 215.341 -0.140 20 0 BBADRP CCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000082431902 643312817 /nfs/dbraw/zinc/31/28/17/643312817.db2.gz DRMLCNNUIAQYMZ-NXEZZACHSA-N 2 0 226.324 -0.017 20 0 BBADRP CCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000082431904 643313610 /nfs/dbraw/zinc/31/36/10/643313610.db2.gz DRMLCNNUIAQYMZ-ZJUUUORDSA-N 2 0 226.324 -0.017 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000082475014 362023890 /nfs/dbraw/zinc/02/38/90/362023890.db2.gz VGUIWVDJXLAWGP-ZETCQYMHSA-N 2 0 228.296 -0.760 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000082475015 362023982 /nfs/dbraw/zinc/02/39/82/362023982.db2.gz VGUIWVDJXLAWGP-SSDOTTSWSA-N 2 0 228.296 -0.760 20 0 BBADRP C[C@@H]1C(=O)NCCN1C[C@@H]1CCC[NH2+]C1 ZINC000082475500 384230752 /nfs/dbraw/zinc/23/07/52/384230752.db2.gz FYDYZTUNIFTLKI-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1C(=O)NCCN1C[C@@H]1CCC[NH2+]C1 ZINC000082475501 384231238 /nfs/dbraw/zinc/23/12/38/384231238.db2.gz FYDYZTUNIFTLKI-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+]CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000082557352 487672272 /nfs/dbraw/zinc/67/22/72/487672272.db2.gz GRJZYUSBAJSPGZ-ZETCQYMHSA-N 2 0 225.214 -0.397 20 0 BBADRP [NH3+]CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000082557353 487672359 /nfs/dbraw/zinc/67/23/59/487672359.db2.gz GRJZYUSBAJSPGZ-SSDOTTSWSA-N 2 0 225.214 -0.397 20 0 BBADRP [NH3+]CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000082557354 487672313 /nfs/dbraw/zinc/67/23/13/487672313.db2.gz NKOWTJRKZLCZDH-QMMMGPOBSA-N 2 0 239.241 -0.007 20 0 BBADRP [NH3+]CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000082557355 487672059 /nfs/dbraw/zinc/67/20/59/487672059.db2.gz NKOWTJRKZLCZDH-MRVPVSSYSA-N 2 0 239.241 -0.007 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082559256 384237282 /nfs/dbraw/zinc/23/72/82/384237282.db2.gz HFQLDCIZFFFWNH-NXEZZACHSA-N 2 0 211.309 -0.336 20 0 BBADRP Nc1cc[nH+]cc1C(=O)N1CC[NH2+]CC1 ZINC000082640091 411150233 /nfs/dbraw/zinc/15/02/33/411150233.db2.gz WOEBATXXXXMUIU-UHFFFAOYSA-N 2 0 206.249 -0.291 20 0 BBADRP C[NH+](C)CC1(C(=O)N2CC[NH2+]CC2)CC1 ZINC000082641778 487702688 /nfs/dbraw/zinc/70/26/88/487702688.db2.gz FZTCWIBLULRDGJ-UHFFFAOYSA-N 2 0 211.309 -0.240 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH2+]CC2)C1 ZINC000082641780 487703953 /nfs/dbraw/zinc/70/39/53/487703953.db2.gz VDEVDFCQGGYIMO-JTQLQIEISA-N 2 0 211.309 -0.240 20 0 BBADRP CC(C)[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000082642681 385625751 /nfs/dbraw/zinc/62/57/51/385625751.db2.gz OPVYNDWZSQCIKT-UHFFFAOYSA-N 2 0 214.313 -0.319 20 0 BBADRP [NH3+]CC1(C(=O)N2CC[NH2+]CC2)CCCC1 ZINC000082643681 181357671 /nfs/dbraw/zinc/35/76/71/181357671.db2.gz AYIVMUUGKALXAO-UHFFFAOYSA-N 2 0 211.309 -0.063 20 0 BBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654572 181391502 /nfs/dbraw/zinc/39/15/02/181391502.db2.gz DGOQQNRAZVRQRQ-NSHDSACASA-N 2 0 240.351 -0.911 20 0 BBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654573 181391272 /nfs/dbraw/zinc/39/12/72/181391272.db2.gz DGOQQNRAZVRQRQ-LLVKDONJSA-N 2 0 240.351 -0.911 20 0 BBADRP [NH3+]C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000082654590 181343171 /nfs/dbraw/zinc/34/31/71/181343171.db2.gz LGSFUBKQMWMKMU-UHFFFAOYSA-N 3 0 240.351 -0.769 20 0 BBADRP [NH3+][C@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082654604 487708087 /nfs/dbraw/zinc/70/80/87/487708087.db2.gz XDIUPLFURXRKNU-NSHDSACASA-N 2 0 240.351 -0.769 20 0 BBADRP [NH3+][C@@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000082654605 384773179 /nfs/dbraw/zinc/77/31/79/384773179.db2.gz XDIUPLFURXRKNU-LLVKDONJSA-N 2 0 240.351 -0.769 20 0 BBADRP C[C@@H]1C[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000082654608 487707815 /nfs/dbraw/zinc/70/78/15/487707815.db2.gz GCMHNDMWHFEQSA-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP C[C@H]1C[NH2+]CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000082654609 177284059 /nfs/dbraw/zinc/28/40/59/177284059.db2.gz GCMHNDMWHFEQSA-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP O=C([C@H]1CCC[N@@H+](CCO)C1)N1CC[NH2+]CC1 ZINC000082654708 643363229 /nfs/dbraw/zinc/36/32/29/643363229.db2.gz OKRZVIDJVJXNQI-NSHDSACASA-N 2 0 241.335 -0.878 20 0 BBADRP O=C([C@@H]1CCC[N@@H+](CCO)C1)N1CC[NH2+]CC1 ZINC000082654709 643363686 /nfs/dbraw/zinc/36/36/86/643363686.db2.gz OKRZVIDJVJXNQI-LLVKDONJSA-N 2 0 241.335 -0.878 20 0 BBADRP O=C(CC[N@H+]1CCC[C@H](O)C1)N1CC[NH2+]CC1 ZINC000082657435 487708411 /nfs/dbraw/zinc/70/84/11/487708411.db2.gz JRWATWVYQZUJAB-NSHDSACASA-N 2 0 241.335 -0.735 20 0 BBADRP O=C(CC[N@H+]1CCC[C@@H](O)C1)N1CC[NH2+]CC1 ZINC000082657436 487707711 /nfs/dbraw/zinc/70/77/11/487707711.db2.gz JRWATWVYQZUJAB-LLVKDONJSA-N 2 0 241.335 -0.735 20 0 BBADRP C[NH+](C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000082665802 362096991 /nfs/dbraw/zinc/09/69/91/362096991.db2.gz OHQLMDYMLANURW-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP O=C(COC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000082665867 362096655 /nfs/dbraw/zinc/09/66/55/362096655.db2.gz VCASRLCATMOFBQ-UHFFFAOYSA-N 2 0 227.308 -0.813 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NC1CC1 ZINC000082670268 173075421 /nfs/dbraw/zinc/07/54/21/173075421.db2.gz IRDJYLAHAIDSFB-SNVBAGLBSA-N 2 0 225.340 -0.491 20 0 BBADRP CC(C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000082670271 631411025 /nfs/dbraw/zinc/41/10/25/631411025.db2.gz HZZAXQQZWQIAHU-SNVBAGLBSA-N 2 0 227.356 -0.245 20 0 BBADRP CC(C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000082670273 631408967 /nfs/dbraw/zinc/40/89/67/631408967.db2.gz HZZAXQQZWQIAHU-JTQLQIEISA-N 2 0 227.356 -0.245 20 0 BBADRP CCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000082670280 631409924 /nfs/dbraw/zinc/40/99/24/631409924.db2.gz GSQMQWDNYSVVNE-SECBINFHSA-N 2 0 213.329 -0.634 20 0 BBADRP CCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000082670284 643520353 /nfs/dbraw/zinc/52/03/53/643520353.db2.gz GSQMQWDNYSVVNE-VIFPVBQESA-N 2 0 213.329 -0.634 20 0 BBADRP CCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000082670288 643364854 /nfs/dbraw/zinc/36/48/54/643364854.db2.gz NRNMEEPMPFXVPF-SNVBAGLBSA-N 2 0 227.356 -0.244 20 0 BBADRP CCCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000082670291 643364946 /nfs/dbraw/zinc/36/49/46/643364946.db2.gz NRNMEEPMPFXVPF-JTQLQIEISA-N 2 0 227.356 -0.244 20 0 BBADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000082687083 388040224 /nfs/dbraw/zinc/04/02/24/388040224.db2.gz GDGYTENWFKELEL-TXEJJXNPSA-N 2 0 225.336 -0.530 20 0 BBADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000082687084 345679912 /nfs/dbraw/zinc/67/99/12/345679912.db2.gz GDGYTENWFKELEL-VXGBXAGGSA-N 2 0 225.336 -0.530 20 0 BBADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000082687085 345679611 /nfs/dbraw/zinc/67/96/11/345679611.db2.gz GDGYTENWFKELEL-RYUDHWBXSA-N 2 0 225.336 -0.530 20 0 BBADRP CN1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000082717340 368708241 /nfs/dbraw/zinc/70/82/41/368708241.db2.gz BCPQMKKRWKFTGW-AEJSXWLSSA-N 2 0 209.293 -0.632 20 0 BBADRP CN1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000082717343 368707960 /nfs/dbraw/zinc/70/79/60/368707960.db2.gz BCPQMKKRWKFTGW-KXUCPTDWSA-N 2 0 209.293 -0.632 20 0 BBADRP CN1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000082717345 384551622 /nfs/dbraw/zinc/55/16/22/384551622.db2.gz BCPQMKKRWKFTGW-BBBLOLIVSA-N 2 0 209.293 -0.632 20 0 BBADRP COCC[N@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000082772557 487729975 /nfs/dbraw/zinc/72/99/75/487729975.db2.gz LQNYQKKQHXPMOU-UHFFFAOYSA-N 2 0 231.340 -0.192 20 0 BBADRP CN1CC[N@H+](CC2CC[NH2+]CC2)CC1=O ZINC000082774869 136277187 /nfs/dbraw/zinc/27/71/87/136277187.db2.gz BVBIBAJSHWJWQC-UHFFFAOYSA-N 2 0 211.309 -0.240 20 0 BBADRP OCCOCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082829026 345771670 /nfs/dbraw/zinc/77/16/70/345771670.db2.gz ODNOYRCZXFGQMH-AOOOYVTPSA-N 2 0 200.282 -0.854 20 0 BBADRP OCCOCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000082829027 345771639 /nfs/dbraw/zinc/77/16/39/345771639.db2.gz ODNOYRCZXFGQMH-UWVGGRQHSA-N 2 0 200.282 -0.854 20 0 BBADRP OCCOCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000082829028 345771385 /nfs/dbraw/zinc/77/13/85/345771385.db2.gz ODNOYRCZXFGQMH-NXEZZACHSA-N 2 0 200.282 -0.854 20 0 BBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000082920672 643528307 /nfs/dbraw/zinc/52/83/07/643528307.db2.gz XZZJWTHCFFQCSR-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082920699 384276977 /nfs/dbraw/zinc/27/69/77/384276977.db2.gz ODVKLKCSPZYEDF-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082920700 135442503 /nfs/dbraw/zinc/44/25/03/135442503.db2.gz ODVKLKCSPZYEDF-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082920701 384276765 /nfs/dbraw/zinc/27/67/65/384276765.db2.gz ODVKLKCSPZYEDF-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082920702 384275633 /nfs/dbraw/zinc/27/56/33/384275633.db2.gz ODVKLKCSPZYEDF-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H](O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000082996764 487769244 /nfs/dbraw/zinc/76/92/44/487769244.db2.gz IUUDNUAXBKYKDW-MNOVXSKESA-N 2 0 216.325 -0.196 20 0 BBADRP C[C@@H](O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000082996768 487769083 /nfs/dbraw/zinc/76/90/83/487769083.db2.gz IUUDNUAXBKYKDW-GHMZBOCLSA-N 2 0 216.325 -0.196 20 0 BBADRP [NH3+]CC[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000083069207 643407350 /nfs/dbraw/zinc/40/73/50/643407350.db2.gz VLVWISNHLVGBJH-GFCCVEGCSA-N 2 0 227.352 -0.011 20 0 BBADRP [NH3+]CC[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000083069208 643407199 /nfs/dbraw/zinc/40/71/99/643407199.db2.gz VLVWISNHLVGBJH-LBPRGKRZSA-N 2 0 227.352 -0.011 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000083344042 384291213 /nfs/dbraw/zinc/29/12/13/384291213.db2.gz ABCSQORBXKRVQE-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000083346710 176243951 /nfs/dbraw/zinc/24/39/51/176243951.db2.gz ACXPRQHYUMCVTB-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000083346711 177213815 /nfs/dbraw/zinc/21/38/15/177213815.db2.gz ACXPRQHYUMCVTB-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000083346712 176326048 /nfs/dbraw/zinc/32/60/48/176326048.db2.gz YZUCNKGUAYAUQD-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000083346713 177283039 /nfs/dbraw/zinc/28/30/39/177283039.db2.gz YZUCNKGUAYAUQD-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1CN(CCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000083347124 351123790 /nfs/dbraw/zinc/12/37/90/351123790.db2.gz YDMCOIJDKKSTKW-LLVKDONJSA-N 2 0 212.341 -0.815 20 0 BBADRP C[C@H]1CN(CCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000083347125 177251467 /nfs/dbraw/zinc/25/14/67/177251467.db2.gz YDMCOIJDKKSTKW-NSHDSACASA-N 2 0 212.341 -0.815 20 0 BBADRP C[C@@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000083347126 487904416 /nfs/dbraw/zinc/90/44/16/487904416.db2.gz OGGMGVCYWFRMFC-LLVKDONJSA-N 2 0 212.341 -0.815 20 0 BBADRP C[C@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000083347127 487905045 /nfs/dbraw/zinc/90/50/45/487905045.db2.gz OGGMGVCYWFRMFC-NSHDSACASA-N 2 0 212.341 -0.815 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])COC ZINC000083349108 384297562 /nfs/dbraw/zinc/29/75/62/384297562.db2.gz CLBKUXPGLHQUEK-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000083350153 384298657 /nfs/dbraw/zinc/29/86/57/384298657.db2.gz XKMJOWXYNYNFMQ-MRVPVSSYSA-N 2 0 219.354 -0.255 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H]([NH3+])CCSC ZINC000083350154 173347958 /nfs/dbraw/zinc/34/79/58/173347958.db2.gz GDHBXNRXZLIYQQ-MRVPVSSYSA-N 2 0 219.354 -0.208 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])CCSC ZINC000083350155 173348092 /nfs/dbraw/zinc/34/80/92/173348092.db2.gz GDHBXNRXZLIYQQ-QMMMGPOBSA-N 2 0 219.354 -0.208 20 0 BBADRP C[C@@H]1CN(CCN2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000083354978 176290539 /nfs/dbraw/zinc/29/05/39/176290539.db2.gz WDSSNGAGUJHNKE-VXGBXAGGSA-N 2 0 226.368 -0.426 20 0 BBADRP C[C@@H]1CN(CCN2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000083354979 177286573 /nfs/dbraw/zinc/28/65/73/177286573.db2.gz WDSSNGAGUJHNKE-NEPJUHHUSA-N 2 0 226.368 -0.426 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000083354980 177251992 /nfs/dbraw/zinc/25/19/92/177251992.db2.gz WDSSNGAGUJHNKE-NWDGAFQWSA-N 2 0 226.368 -0.426 20 0 BBADRP C[C@H]1CN(CCN2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000083354981 177251243 /nfs/dbraw/zinc/25/12/43/177251243.db2.gz WDSSNGAGUJHNKE-RYUDHWBXSA-N 2 0 226.368 -0.426 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])COC ZINC000083358353 388048557 /nfs/dbraw/zinc/04/85/57/388048557.db2.gz CEVMLXUSAPKMQD-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000083368652 643439191 /nfs/dbraw/zinc/43/91/91/643439191.db2.gz MOLPRBYWMQBMTG-LLVKDONJSA-N 2 0 240.351 -0.865 20 0 BBADRP CC(C)[C@H]1CN(CCN2CC[NH2+]CC2)CC[NH2+]1 ZINC000083368703 487908602 /nfs/dbraw/zinc/90/86/02/487908602.db2.gz MAXJPUHIKUGZQY-CYBMUJFWSA-N 2 0 240.395 -0.179 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000083368710 384774571 /nfs/dbraw/zinc/77/45/71/384774571.db2.gz ZEHDEAHDFWJUED-ZDUSSCGKSA-N 2 0 240.395 -0.179 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000083368711 384772407 /nfs/dbraw/zinc/77/24/07/384772407.db2.gz ZEHDEAHDFWJUED-CYBMUJFWSA-N 2 0 240.395 -0.179 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000083370792 368769778 /nfs/dbraw/zinc/76/97/78/368769778.db2.gz BBIJXEQTOSKCCE-NSHDSACASA-N 2 0 242.367 -0.619 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000083370795 171395319 /nfs/dbraw/zinc/39/53/19/171395319.db2.gz QHFUYLQORADBJS-QWRGUYRKSA-N 2 0 242.367 -0.619 20 0 BBADRP [NH3+]CCCCCC(=O)NCCN1CC[NH2+]CC1 ZINC000083370796 643442309 /nfs/dbraw/zinc/44/23/09/643442309.db2.gz ZCAVTJQSXHEIIP-UHFFFAOYSA-N 2 0 242.367 -0.473 20 0 BBADRP [NH3+]CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000083643645 388056843 /nfs/dbraw/zinc/05/68/43/388056843.db2.gz FXTPDOIRJKYYBP-NSHDSACASA-N 2 0 219.288 -0.052 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000083643647 388056249 /nfs/dbraw/zinc/05/62/49/388056249.db2.gz FXTPDOIRJKYYBP-LLVKDONJSA-N 2 0 219.288 -0.052 20 0 BBADRP OCC(CO)[NH2+]CCC[NH+]1CCCC1 ZINC000083694736 343496649 /nfs/dbraw/zinc/49/66/49/343496649.db2.gz XLZVSTIVXZDDRA-UHFFFAOYSA-N 2 0 202.298 -0.585 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083834680 384336654 /nfs/dbraw/zinc/33/66/54/384336654.db2.gz MIGFHIZLZGBHNR-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083834682 384336036 /nfs/dbraw/zinc/33/60/36/384336036.db2.gz MIGFHIZLZGBHNR-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000083834869 384336482 /nfs/dbraw/zinc/33/64/82/384336482.db2.gz BYKAGQYKFIKNGG-SECBINFHSA-N 2 0 209.293 -0.216 20 0 BBADRP [NH3+]C1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000083834874 384336755 /nfs/dbraw/zinc/33/67/55/384336755.db2.gz BYKAGQYKFIKNGG-VIFPVBQESA-N 2 0 209.293 -0.216 20 0 BBADRP C[NH+]1CCC(CNC(=O)C2([NH3+])CC2)CC1 ZINC000083835630 343503897 /nfs/dbraw/zinc/50/38/97/343503897.db2.gz OQWBAQATSLERRS-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP C[N@@H+]1CCC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083835633 384773840 /nfs/dbraw/zinc/77/38/40/384773840.db2.gz GAAGENJTWCBVSD-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083835636 384773726 /nfs/dbraw/zinc/77/37/26/384773726.db2.gz GAAGENJTWCBVSD-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000083835661 384335208 /nfs/dbraw/zinc/33/52/08/384335208.db2.gz IEIFWBSAICPYPQ-QMMMGPOBSA-N 2 0 209.293 -0.169 20 0 BBADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000083835662 384334852 /nfs/dbraw/zinc/33/48/52/384334852.db2.gz IEIFWBSAICPYPQ-MRVPVSSYSA-N 2 0 209.293 -0.169 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000083835940 384334352 /nfs/dbraw/zinc/33/43/52/384334352.db2.gz GLHLTVKQUIIROK-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP [NH3+]CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000083889463 384812414 /nfs/dbraw/zinc/81/24/14/384812414.db2.gz VDNVWXQXYJFIJO-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000083904733 256756584 /nfs/dbraw/zinc/75/65/84/256756584.db2.gz MPTLAYNBPCRBMC-LLVKDONJSA-N 2 0 241.335 -0.484 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000083904734 387427919 /nfs/dbraw/zinc/42/79/19/387427919.db2.gz MPTLAYNBPCRBMC-NSHDSACASA-N 2 0 241.335 -0.484 20 0 BBADRP C[NH+]1CCN(CCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000084168978 488032077 /nfs/dbraw/zinc/03/20/77/488032077.db2.gz OAFKULHTVKNVQE-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084222286 643651641 /nfs/dbraw/zinc/65/16/41/643651641.db2.gz LRQKWQFCZJWINI-KXUCPTDWSA-N 2 0 202.298 -0.289 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084222293 643650271 /nfs/dbraw/zinc/65/02/71/643650271.db2.gz LRQKWQFCZJWINI-UTLUCORTSA-N 2 0 202.298 -0.289 20 0 BBADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084222402 488219481 /nfs/dbraw/zinc/21/94/81/488219481.db2.gz BWICNTBOWWEQJN-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084222406 488038786 /nfs/dbraw/zinc/03/87/86/488038786.db2.gz BWICNTBOWWEQJN-LPEHRKFASA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084222411 488038872 /nfs/dbraw/zinc/03/88/72/488038872.db2.gz BWICNTBOWWEQJN-UTLUCORTSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084222415 488038923 /nfs/dbraw/zinc/03/89/23/488038923.db2.gz BWICNTBOWWEQJN-GUBZILKMSA-N 2 0 211.309 -0.018 20 0 BBADRP CC(C)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000084409167 535182873 /nfs/dbraw/zinc/18/28/73/535182873.db2.gz LWNPYBVAZIESEH-UHFFFAOYSA-N 2 0 211.309 -0.242 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000084410130 388077983 /nfs/dbraw/zinc/07/79/83/388077983.db2.gz OMUFFOXQUZKQKE-UHFFFAOYSA-N 2 0 223.320 -0.240 20 0 BBADRP O=C(C1C[NH2+]C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000084412021 388077526 /nfs/dbraw/zinc/07/75/26/388077526.db2.gz NGVOJSMHLDNWHJ-LLVKDONJSA-N 2 0 223.320 -0.098 20 0 BBADRP O=C(C1C[NH2+]C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000084412024 135249123 /nfs/dbraw/zinc/24/91/23/135249123.db2.gz NGVOJSMHLDNWHJ-NSHDSACASA-N 2 0 223.320 -0.098 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000084412051 135249514 /nfs/dbraw/zinc/24/95/14/135249514.db2.gz QRSNVSVCWXVCBZ-LLVKDONJSA-N 2 0 223.320 -0.098 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000084412052 135249266 /nfs/dbraw/zinc/24/92/66/135249266.db2.gz QRSNVSVCWXVCBZ-NSHDSACASA-N 2 0 223.320 -0.098 20 0 BBADRP CN(CCN1CCOCC1)CC(C)(C)[NH3+] ZINC000084482178 384400253 /nfs/dbraw/zinc/40/02/53/384400253.db2.gz PICJHFPIBWBVLN-UHFFFAOYSA-N 2 0 215.341 -0.012 20 0 BBADRP COCCOCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283132 398050121 /nfs/dbraw/zinc/05/01/21/398050121.db2.gz FJIHCJORJLPIKP-PHIMTYICSA-N 2 0 214.309 -0.199 20 0 BBADRP COCCOCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283135 538116126 /nfs/dbraw/zinc/11/61/26/538116126.db2.gz FJIHCJORJLPIKP-GHMZBOCLSA-N 2 0 214.309 -0.199 20 0 BBADRP COCCOCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085283138 538116232 /nfs/dbraw/zinc/11/62/32/538116232.db2.gz FJIHCJORJLPIKP-QWRGUYRKSA-N 2 0 214.309 -0.199 20 0 BBADRP CNC(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283431 488155945 /nfs/dbraw/zinc/15/59/45/488155945.db2.gz OHMCTPLJNQREIL-AOOOYVTPSA-N 2 0 211.309 -0.336 20 0 BBADRP CNC(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283434 488155879 /nfs/dbraw/zinc/15/58/79/488155879.db2.gz OHMCTPLJNQREIL-NXEZZACHSA-N 2 0 211.309 -0.336 20 0 BBADRP CNC(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085283436 488156007 /nfs/dbraw/zinc/15/60/07/488156007.db2.gz OHMCTPLJNQREIL-UWVGGRQHSA-N 2 0 211.309 -0.336 20 0 BBADRP [NH3+]CCCSCCC(=O)N1CC[NH2+]CC1 ZINC000085314588 643609034 /nfs/dbraw/zinc/60/90/34/643609034.db2.gz VSNUBBFUVWMAAR-UHFFFAOYSA-N 2 0 231.365 -0.110 20 0 BBADRP C[C@@H](C(=O)N(C)CC[NH+](C)C)[NH+](C)C ZINC000085361173 491126820 /nfs/dbraw/zinc/12/68/20/491126820.db2.gz UWXCZDBRXVBUEY-VIFPVBQESA-N 2 0 201.314 -0.044 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085374467 488164784 /nfs/dbraw/zinc/16/47/84/488164784.db2.gz QIQCIAJOXWWCLS-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CN1CCO[C@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000085540852 387069984 /nfs/dbraw/zinc/06/99/84/387069984.db2.gz JHVARKCIDCTUDB-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP CN1CCO[C@@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000085540855 387069221 /nfs/dbraw/zinc/06/92/21/387069221.db2.gz JHVARKCIDCTUDB-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH+](C)CCNC(=O)c1csc(CC[NH3+])n1 ZINC000085547869 398288579 /nfs/dbraw/zinc/28/85/79/398288579.db2.gz KMHNIGDJIGGHGR-UHFFFAOYSA-N 2 0 242.348 -0.064 20 0 BBADRP [NH3+]CCNC(=O)c1csc(CC[NH3+])n1 ZINC000085548781 368865412 /nfs/dbraw/zinc/86/54/12/368865412.db2.gz NCTKSYDHIWEHLC-UHFFFAOYSA-N 2 0 214.294 -0.667 20 0 BBADRP [NH3+]CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000085548794 356574950 /nfs/dbraw/zinc/57/49/50/356574950.db2.gz XLAJZPMKCGIZQT-UHFFFAOYSA-N 2 0 228.321 -0.277 20 0 BBADRP C[NH+](C)CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085612460 384545873 /nfs/dbraw/zinc/54/58/73/384545873.db2.gz ICAJUSFWKPANDR-SECBINFHSA-N 2 0 231.365 -0.241 20 0 BBADRP C[NH+](C)CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085612464 384547583 /nfs/dbraw/zinc/54/75/83/384547583.db2.gz ICAJUSFWKPANDR-VIFPVBQESA-N 2 0 231.365 -0.241 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH2+]CC1 ZINC000085613160 368867446 /nfs/dbraw/zinc/86/74/46/368867446.db2.gz OFFFTOQPLHIZCG-SECBINFHSA-N 2 0 229.349 -0.487 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH2+]CC1 ZINC000085613163 368867115 /nfs/dbraw/zinc/86/71/15/368867115.db2.gz OFFFTOQPLHIZCG-VIFPVBQESA-N 2 0 229.349 -0.487 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000085613189 387162676 /nfs/dbraw/zinc/16/26/76/387162676.db2.gz GUZVBIIKIRCVCS-SNVBAGLBSA-N 2 0 243.376 -0.097 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000085613192 387161608 /nfs/dbraw/zinc/16/16/08/387161608.db2.gz GUZVBIIKIRCVCS-JTQLQIEISA-N 2 0 243.376 -0.097 20 0 BBADRP [NH3+]CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085613792 368867375 /nfs/dbraw/zinc/86/73/75/368867375.db2.gz MXKQHJFUFWPHKJ-ZETCQYMHSA-N 2 0 203.311 -0.844 20 0 BBADRP [NH3+]CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085613796 368866786 /nfs/dbraw/zinc/86/67/86/368866786.db2.gz MXKQHJFUFWPHKJ-SSDOTTSWSA-N 2 0 203.311 -0.844 20 0 BBADRP [NH3+]CCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085613800 487719050 /nfs/dbraw/zinc/71/90/50/487719050.db2.gz JMZFYOFINAJQNJ-QMMMGPOBSA-N 2 0 217.338 -0.454 20 0 BBADRP [NH3+]CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085613802 488189803 /nfs/dbraw/zinc/18/98/03/488189803.db2.gz JMZFYOFINAJQNJ-MRVPVSSYSA-N 2 0 217.338 -0.454 20 0 BBADRP [NH3+]CCCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085613807 368867403 /nfs/dbraw/zinc/86/74/03/368867403.db2.gz QPYWEIYINJZCRL-VIFPVBQESA-N 2 0 231.365 -0.063 20 0 BBADRP [NH3+]CCCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085613812 368866675 /nfs/dbraw/zinc/86/66/75/368866675.db2.gz QPYWEIYINJZCRL-SECBINFHSA-N 2 0 231.365 -0.063 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085614623 488189871 /nfs/dbraw/zinc/18/98/71/488189871.db2.gz ZRLZFCAEJFQODK-SECBINFHSA-N 2 0 231.365 -0.241 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000085614627 488189906 /nfs/dbraw/zinc/18/99/06/488189906.db2.gz ZRLZFCAEJFQODK-VIFPVBQESA-N 2 0 231.365 -0.241 20 0 BBADRP CN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000085618689 387163074 /nfs/dbraw/zinc/16/30/74/387163074.db2.gz IXUGOGAQZCLFNJ-SNVBAGLBSA-N 2 0 227.308 -0.861 20 0 BBADRP CN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000085618694 387162171 /nfs/dbraw/zinc/16/21/71/387162171.db2.gz IXUGOGAQZCLFNJ-JTQLQIEISA-N 2 0 227.308 -0.861 20 0 BBADRP C[NH+](C)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000085618752 384547267 /nfs/dbraw/zinc/54/72/67/384547267.db2.gz QCWNUIZJWBWWMD-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000085618755 384548099 /nfs/dbraw/zinc/54/80/99/384548099.db2.gz QCWNUIZJWBWWMD-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[NH2+]CC1 ZINC000085619296 357123400 /nfs/dbraw/zinc/12/34/00/357123400.db2.gz BUTBZGBCNFQAIT-SNVBAGLBSA-N 2 0 227.308 -0.813 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[NH2+]CC1 ZINC000085619302 357123811 /nfs/dbraw/zinc/12/38/11/357123811.db2.gz BUTBZGBCNFQAIT-JTQLQIEISA-N 2 0 227.308 -0.813 20 0 BBADRP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000085619603 711790361 /nfs/dbraw/zinc/79/03/61/711790361.db2.gz WUDWVBZYRQSTPG-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000085619605 632646565 /nfs/dbraw/zinc/64/65/65/632646565.db2.gz WUDWVBZYRQSTPG-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000085619608 632646510 /nfs/dbraw/zinc/64/65/10/632646510.db2.gz WUDWVBZYRQSTPG-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000085619611 632646467 /nfs/dbraw/zinc/64/64/67/632646467.db2.gz WUDWVBZYRQSTPG-ZJUUUORDSA-N 2 0 229.324 -0.569 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000085620318 357126397 /nfs/dbraw/zinc/12/63/97/357126397.db2.gz FONFVEXNOPGXGO-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000085620320 357126409 /nfs/dbraw/zinc/12/64/09/357126409.db2.gz FONFVEXNOPGXGO-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP [NH3+]CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790008 631463532 /nfs/dbraw/zinc/46/35/32/631463532.db2.gz ISCWXXXCBMZAGI-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000085790010 643803768 /nfs/dbraw/zinc/80/37/68/643803768.db2.gz ISCWXXXCBMZAGI-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790012 631463263 /nfs/dbraw/zinc/46/32/63/631463263.db2.gz ISCWXXXCBMZAGI-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000085790014 643804114 /nfs/dbraw/zinc/80/41/14/643804114.db2.gz ISCWXXXCBMZAGI-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790415 644451553 /nfs/dbraw/zinc/45/15/53/644451553.db2.gz WYAGOKWPXYUHRU-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790417 644451703 /nfs/dbraw/zinc/45/17/03/644451703.db2.gz WYAGOKWPXYUHRU-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790445 644452377 /nfs/dbraw/zinc/45/23/77/644452377.db2.gz KLRFKRLZMAQFSW-OPRDCNLKSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790446 644452018 /nfs/dbraw/zinc/45/20/18/644452018.db2.gz KLRFKRLZMAQFSW-BBBLOLIVSA-N 2 0 227.308 -0.687 20 0 BBADRP NC(=O)CC[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000085790458 644451809 /nfs/dbraw/zinc/45/18/09/644451809.db2.gz CLNVZGIIUUPQKP-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP NC(=O)CC[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000085790460 644451725 /nfs/dbraw/zinc/45/17/25/644451725.db2.gz CLNVZGIIUUPQKP-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP NC(=O)CC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000085790464 644452461 /nfs/dbraw/zinc/45/24/61/644452461.db2.gz CLNVZGIIUUPQKP-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP NC(=O)CC[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000085790467 644452171 /nfs/dbraw/zinc/45/21/71/644452171.db2.gz CLNVZGIIUUPQKP-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790497 631463337 /nfs/dbraw/zinc/46/33/37/631463337.db2.gz KLRFKRLZMAQFSW-IVZWLZJFSA-N 2 0 227.308 -0.687 20 0 BBADRP C[N@H+](CC(=O)NC(N)=O)C1CCC([NH3+])CC1 ZINC000085870010 643824137 /nfs/dbraw/zinc/82/41/37/643824137.db2.gz WWKDGEBARFSNGH-UHFFFAOYSA-N 2 0 228.296 -0.617 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975822 384582405 /nfs/dbraw/zinc/58/24/05/384582405.db2.gz SFPYNXVHFWEKBE-ZJUUUORDSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCCC[NH+](C)C ZINC000086065009 343608572 /nfs/dbraw/zinc/60/85/72/343608572.db2.gz RFDVPMQXLQRIQB-VIFPVBQESA-N 2 0 201.314 -0.090 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCCC[NH+](C)C ZINC000086065012 343608440 /nfs/dbraw/zinc/60/84/40/343608440.db2.gz RFDVPMQXLQRIQB-SECBINFHSA-N 2 0 201.314 -0.090 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000086066558 384593047 /nfs/dbraw/zinc/59/30/47/384593047.db2.gz HUKJKWIXGVHXBU-UWVGGRQHSA-N 2 0 213.325 -0.090 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000086066561 384593634 /nfs/dbraw/zinc/59/36/34/384593634.db2.gz HUKJKWIXGVHXBU-ZJUUUORDSA-N 2 0 213.325 -0.090 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000086066564 384594986 /nfs/dbraw/zinc/59/49/86/384594986.db2.gz HUKJKWIXGVHXBU-VHSXEESVSA-N 2 0 213.325 -0.090 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000086066567 384595656 /nfs/dbraw/zinc/59/56/56/384595656.db2.gz HUKJKWIXGVHXBU-NXEZZACHSA-N 2 0 213.325 -0.090 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000086067385 343609050 /nfs/dbraw/zinc/60/90/50/343609050.db2.gz PXQFAKOXTWVHMO-DTWKUNHWSA-N 2 0 201.314 -0.092 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000086067389 343608995 /nfs/dbraw/zinc/60/89/95/343608995.db2.gz PXQFAKOXTWVHMO-RKDXNWHRSA-N 2 0 201.314 -0.092 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000086067392 343609063 /nfs/dbraw/zinc/60/90/63/343609063.db2.gz PXQFAKOXTWVHMO-IUCAKERBSA-N 2 0 201.314 -0.092 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000086067395 343608853 /nfs/dbraw/zinc/60/88/53/343608853.db2.gz PXQFAKOXTWVHMO-BDAKNGLRSA-N 2 0 201.314 -0.092 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000086068751 343609402 /nfs/dbraw/zinc/60/94/02/343609402.db2.gz UHQCQMVBWVGGKD-VIFPVBQESA-N 2 0 201.314 -0.090 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@H](C)C[NH2+]C ZINC000086068753 343609474 /nfs/dbraw/zinc/60/94/74/343609474.db2.gz UHQCQMVBWVGGKD-SECBINFHSA-N 2 0 201.314 -0.090 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000086068842 357815655 /nfs/dbraw/zinc/81/56/55/357815655.db2.gz PXUVVBOZVYMRTF-JTQLQIEISA-N 2 0 231.340 -0.464 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000086068844 357815506 /nfs/dbraw/zinc/81/55/06/357815506.db2.gz PXUVVBOZVYMRTF-SNVBAGLBSA-N 2 0 231.340 -0.464 20 0 BBADRP CC[NH+](CC)CCNC(=O)C[NH2+]CCOC ZINC000086157901 357861816 /nfs/dbraw/zinc/86/18/16/357861816.db2.gz POPGJBACWADCAL-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP COCC[NH2+]CC(=O)NCCC[NH+](C)C ZINC000086157904 343612205 /nfs/dbraw/zinc/61/22/05/343612205.db2.gz JYZCQXCJQZRWOK-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[N@H+](C)CC1 ZINC000086157913 357861794 /nfs/dbraw/zinc/86/17/94/357861794.db2.gz RJKXDNBKZYQZMR-UHFFFAOYSA-N 2 0 229.324 -0.614 20 0 BBADRP COCC[NH2+]CC(=O)NCC[NH+]1CCCC1 ZINC000086157961 643935216 /nfs/dbraw/zinc/93/52/16/643935216.db2.gz GVRUITHJWUPJLP-UHFFFAOYSA-N 2 0 229.324 -0.566 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[NH2+]CC1 ZINC000086157968 398087336 /nfs/dbraw/zinc/08/73/36/398087336.db2.gz FSEQQBBFHYWDBC-UHFFFAOYSA-N 2 0 215.297 -0.956 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H](C)[NH+](C)C ZINC000086158070 343612866 /nfs/dbraw/zinc/61/28/66/343612866.db2.gz OMCVVLDXYPCSDX-VIFPVBQESA-N 2 0 217.313 -0.711 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H](C)[NH+](C)C ZINC000086158071 343612644 /nfs/dbraw/zinc/61/26/44/343612644.db2.gz OMCVVLDXYPCSDX-SECBINFHSA-N 2 0 217.313 -0.711 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000086158109 487486873 /nfs/dbraw/zinc/48/68/73/487486873.db2.gz LXBWAQRDKQHEPU-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000086158110 487486769 /nfs/dbraw/zinc/48/67/69/487486769.db2.gz LXBWAQRDKQHEPU-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)NCC(C)(C)[NH+](C)C ZINC000086158118 357861730 /nfs/dbraw/zinc/86/17/30/357861730.db2.gz PQXWEBKUUZQHKG-UHFFFAOYSA-N 2 0 231.340 -0.321 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000086158157 134591276 /nfs/dbraw/zinc/59/12/76/134591276.db2.gz ZROHLILAFGOWOE-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)CC[NH+](C)C ZINC000086158158 357861964 /nfs/dbraw/zinc/86/19/64/357861964.db2.gz ZROHLILAFGOWOE-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP COCC[NH2+]CC(=O)NCCCC[NH+](C)C ZINC000086158194 357863007 /nfs/dbraw/zinc/86/30/07/357863007.db2.gz KGEJDKDIKILOON-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP COCC[NH2+]CC(=O)NC1CCC([NH3+])CC1 ZINC000086158213 487487159 /nfs/dbraw/zinc/48/71/59/487487159.db2.gz GOSNKILCWOSRSC-UHFFFAOYSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[N@H+](C)CCNC(=O)C[NH2+]CCOC ZINC000086158235 343612653 /nfs/dbraw/zinc/61/26/53/343612653.db2.gz JLKOWBCUKKNSAN-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP COCC[NH2+]CC(=O)NCC[N@H+](C)C(C)C ZINC000086158236 357863396 /nfs/dbraw/zinc/86/33/96/357863396.db2.gz BMNOQXAMDBVSIX-UHFFFAOYSA-N 2 0 231.340 -0.321 20 0 BBADRP COCC[NH2+]CC(=O)NCC[N@H+](C)C1CC1 ZINC000086158263 357863253 /nfs/dbraw/zinc/86/32/53/357863253.db2.gz PBYGZIJANMPSSE-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000086271030 487495193 /nfs/dbraw/zinc/49/51/93/487495193.db2.gz JBSUJIFGRADGOB-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000086271031 487495373 /nfs/dbraw/zinc/49/53/73/487495373.db2.gz JBSUJIFGRADGOB-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000086271032 487495292 /nfs/dbraw/zinc/49/52/92/487495292.db2.gz JBSUJIFGRADGOB-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000086271033 487495307 /nfs/dbraw/zinc/49/53/07/487495307.db2.gz JBSUJIFGRADGOB-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC000086402477 358967064 /nfs/dbraw/zinc/96/70/64/358967064.db2.gz PBYWYQHIESTPLI-VHSXEESVSA-N 2 0 202.298 -0.145 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC000086402480 358966741 /nfs/dbraw/zinc/96/67/41/358966741.db2.gz PBYWYQHIESTPLI-NXEZZACHSA-N 2 0 202.298 -0.145 20 0 BBADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOCCO)C1 ZINC000086402481 358966906 /nfs/dbraw/zinc/96/69/06/358966906.db2.gz PBYWYQHIESTPLI-UWVGGRQHSA-N 2 0 202.298 -0.145 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOCCO)C1 ZINC000086402484 358966696 /nfs/dbraw/zinc/96/66/96/358966696.db2.gz PBYWYQHIESTPLI-ZJUUUORDSA-N 2 0 202.298 -0.145 20 0 BBADRP CS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403301 644130868 /nfs/dbraw/zinc/13/08/68/644130868.db2.gz RZAQYSYWYDPMDF-BDAKNGLRSA-N 2 0 220.338 -0.110 20 0 BBADRP COC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404368 358968148 /nfs/dbraw/zinc/96/81/48/358968148.db2.gz HHXRMFPAZLRADU-IVZWLZJFSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404370 644466731 /nfs/dbraw/zinc/46/67/31/644466731.db2.gz HHXRMFPAZLRADU-AEJSXWLSSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404373 358968583 /nfs/dbraw/zinc/96/85/83/358968583.db2.gz HHXRMFPAZLRADU-LPEHRKFASA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404375 644466450 /nfs/dbraw/zinc/46/64/50/644466450.db2.gz HHXRMFPAZLRADU-GUBZILKMSA-N 2 0 202.298 -0.147 20 0 BBADRP CC[NH+](CC)CCNC(=O)COCC[NH3+] ZINC000086434161 487503324 /nfs/dbraw/zinc/50/33/24/487503324.db2.gz FOWVTEVESBJEAV-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP C[NH+](C)CC(C)(C)CNC(=O)COCC[NH3+] ZINC000086434173 487503298 /nfs/dbraw/zinc/50/32/98/487503298.db2.gz RTPWCCSVUWGWKJ-UHFFFAOYSA-N 2 0 231.340 -0.334 20 0 BBADRP CC[NH+](CC)CCCNC(=O)COCC[NH3+] ZINC000086434205 487503263 /nfs/dbraw/zinc/50/32/63/487503263.db2.gz JBPXOOXQPMVITK-UHFFFAOYSA-N 2 0 231.340 -0.190 20 0 BBADRP C[NH+](C)CCCNC(=O)COCC[NH3+] ZINC000086434228 487503243 /nfs/dbraw/zinc/50/32/43/487503243.db2.gz VQRHZRBZOIKSLW-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000086434229 487503150 /nfs/dbraw/zinc/50/31/50/487503150.db2.gz LEHPGPVXNCLBGH-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)COCC[NH3+] ZINC000086434230 487503132 /nfs/dbraw/zinc/50/31/32/487503132.db2.gz LEHPGPVXNCLBGH-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP C[N@@H+]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000086434272 487503039 /nfs/dbraw/zinc/50/30/39/487503039.db2.gz LRPOTQRDTAWFHV-UHFFFAOYSA-N 2 0 215.297 -0.874 20 0 BBADRP [NH3+]CCOCC(=O)NCCC[NH+]1CCCC1 ZINC000086434298 487503107 /nfs/dbraw/zinc/50/31/07/487503107.db2.gz WXCRMTFNGVJMAY-UHFFFAOYSA-N 2 0 229.324 -0.436 20 0 BBADRP [NH3+]CCOCC(=O)NCC[NH+]1CCCC1 ZINC000086434357 487721366 /nfs/dbraw/zinc/72/13/66/487721366.db2.gz VSOHHAJOMSMKEU-UHFFFAOYSA-N 2 0 215.297 -0.826 20 0 BBADRP CC(C)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000086434434 487878220 /nfs/dbraw/zinc/87/82/20/487878220.db2.gz YGCKRKVWADZFBP-UHFFFAOYSA-N 2 0 229.324 -0.486 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)COCC[NH3+])C1 ZINC000086434510 487503913 /nfs/dbraw/zinc/50/39/13/487503913.db2.gz GVAGBYBAMQNGIO-SNVBAGLBSA-N 2 0 229.324 -0.580 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)COCC[NH3+])C1 ZINC000086434511 487503795 /nfs/dbraw/zinc/50/37/95/487503795.db2.gz GVAGBYBAMQNGIO-JTQLQIEISA-N 2 0 229.324 -0.580 20 0 BBADRP C[C@@H](CNC(=O)COCC[NH3+])[NH+](C)C ZINC000086434631 487504852 /nfs/dbraw/zinc/50/48/52/487504852.db2.gz SDTDGDQFZIJRQI-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP C[C@H](CNC(=O)COCC[NH3+])[NH+](C)C ZINC000086434632 487505172 /nfs/dbraw/zinc/50/51/72/487505172.db2.gz SDTDGDQFZIJRQI-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP CC[NH+]1CCC(NC(=O)COCC[NH3+])CC1 ZINC000086434637 487504962 /nfs/dbraw/zinc/50/49/62/487504962.db2.gz JPNIKCAXEIIWSK-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000086434713 487505207 /nfs/dbraw/zinc/50/52/07/487505207.db2.gz WTRIVCKFLZYGCJ-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)COCC[NH3+] ZINC000086434725 487505288 /nfs/dbraw/zinc/50/52/88/487505288.db2.gz DMZZYXBOFDXNOZ-UHFFFAOYSA-N 2 0 217.313 -0.582 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)COCC[NH3+] ZINC000086434808 487504934 /nfs/dbraw/zinc/50/49/34/487504934.db2.gz YYJYYECOKYPXIN-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)COCC[NH3+] ZINC000086434809 487505311 /nfs/dbraw/zinc/50/53/11/487505311.db2.gz YYJYYECOKYPXIN-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP [NH3+]CCOCC(=O)NCC[NH+]1CCCCC1 ZINC000086434810 487878199 /nfs/dbraw/zinc/87/81/99/487878199.db2.gz BZDRSEUJVZEMSM-UHFFFAOYSA-N 2 0 229.324 -0.436 20 0 BBADRP C[NH+]1CCC(CNC(=O)COCC[NH3+])CC1 ZINC000086434840 487504994 /nfs/dbraw/zinc/50/49/94/487504994.db2.gz DWQBOKNBPJMVRP-UHFFFAOYSA-N 2 0 229.324 -0.580 20 0 BBADRP C[N@@H+]1CCC[C@H](CNC(=O)COCC[NH3+])C1 ZINC000086434841 487504719 /nfs/dbraw/zinc/50/47/19/487504719.db2.gz KMKMWGOXVZLKGB-SNVBAGLBSA-N 2 0 229.324 -0.580 20 0 BBADRP C[N@@H+]1CCC[C@@H](CNC(=O)COCC[NH3+])C1 ZINC000086434842 487505317 /nfs/dbraw/zinc/50/53/17/487505317.db2.gz KMKMWGOXVZLKGB-JTQLQIEISA-N 2 0 229.324 -0.580 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086434852 487505103 /nfs/dbraw/zinc/50/51/03/487505103.db2.gz IEETXYOVVRUVOZ-VIFPVBQESA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086434853 487504941 /nfs/dbraw/zinc/50/49/41/487504941.db2.gz IEETXYOVVRUVOZ-SECBINFHSA-N 2 0 227.308 -0.685 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)COCC[NH3+] ZINC000086434878 487504904 /nfs/dbraw/zinc/50/49/04/487504904.db2.gz CEQZFIJUFGQTSC-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)COCC[NH3+] ZINC000086434879 487505201 /nfs/dbraw/zinc/50/52/01/487505201.db2.gz CEQZFIJUFGQTSC-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)COCC[NH3+] ZINC000086434880 487505386 /nfs/dbraw/zinc/50/53/86/487505386.db2.gz RHBHWBGAKHLWNQ-UHFFFAOYSA-N 2 0 231.340 -0.238 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)COCC[NH3+] ZINC000086434940 487506184 /nfs/dbraw/zinc/50/61/84/487506184.db2.gz RZHMWSIJDATIIW-UHFFFAOYSA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)COCC[NH3+] ZINC000086434964 487506156 /nfs/dbraw/zinc/50/61/56/487506156.db2.gz GJCSPCMPWMZXCV-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP C[NH+](C)C[C@H]1CCCN1C(=O)COCC[NH3+] ZINC000086434965 487506073 /nfs/dbraw/zinc/50/60/73/487506073.db2.gz GJCSPCMPWMZXCV-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC000086435268 487507054 /nfs/dbraw/zinc/50/70/54/487507054.db2.gz HEDGMQDDAYGQOW-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC000086435269 487507134 /nfs/dbraw/zinc/50/71/34/487507134.db2.gz HEDGMQDDAYGQOW-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP CC(C)[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000086435413 135084094 /nfs/dbraw/zinc/08/40/94/135084094.db2.gz FLVPORZQKAAGBU-UHFFFAOYSA-N 2 0 215.341 -0.012 20 0 BBADRP Cn1cc(C[N@H+](C)CCOCC[NH3+])cn1 ZINC000086435496 135084310 /nfs/dbraw/zinc/08/43/10/135084310.db2.gz BLSGSKVOZLFJHG-UHFFFAOYSA-N 2 0 212.297 -0.173 20 0 BBADRP [NH3+]CCOCCN1CC[NH+](C2CC2)CC1 ZINC000086435498 135084296 /nfs/dbraw/zinc/08/42/96/135084296.db2.gz VTTVOZYXFYPUSU-UHFFFAOYSA-N 2 0 213.325 -0.258 20 0 BBADRP [NH3+]CCOCCN1CC[NH+](CC2CC2)CC1 ZINC000086435499 135084176 /nfs/dbraw/zinc/08/41/76/135084176.db2.gz GMIJUXJUWGFYTE-UHFFFAOYSA-N 2 0 227.352 -0.011 20 0 BBADRP C[N@@H+]1CCN(CCOCC[NH3+])CC1(C)C ZINC000086435775 487506761 /nfs/dbraw/zinc/50/67/61/487506761.db2.gz DFXSQMCBKYNKTH-UHFFFAOYSA-N 2 0 215.341 -0.012 20 0 BBADRP COC[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000086435868 135084030 /nfs/dbraw/zinc/08/40/30/135084030.db2.gz LLEYERUETJQCCJ-SNVBAGLBSA-N 2 0 202.298 -0.070 20 0 BBADRP COC[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000086435870 135084153 /nfs/dbraw/zinc/08/41/53/135084153.db2.gz LLEYERUETJQCCJ-JTQLQIEISA-N 2 0 202.298 -0.070 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000086435908 135084484 /nfs/dbraw/zinc/08/44/84/135084484.db2.gz PVWMNZJDOFJTBF-LLVKDONJSA-N 2 0 215.341 -0.012 20 0 BBADRP C[NH+](C)[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000086435910 536137816 /nfs/dbraw/zinc/13/78/16/536137816.db2.gz PVWMNZJDOFJTBF-NSHDSACASA-N 2 0 215.341 -0.012 20 0 BBADRP CN(CCOCC[NH3+])C[C@H]1CCC[N@@H+]1C ZINC000086435926 358976585 /nfs/dbraw/zinc/97/65/85/358976585.db2.gz NDOBEOADZLSDTC-LLVKDONJSA-N 2 0 215.341 -0.012 20 0 BBADRP CN(CCOCC[NH3+])C[C@@H]1CCC[N@@H+]1C ZINC000086435927 358977056 /nfs/dbraw/zinc/97/70/56/358977056.db2.gz NDOBEOADZLSDTC-NSHDSACASA-N 2 0 215.341 -0.012 20 0 BBADRP [NH3+]CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573143 368882469 /nfs/dbraw/zinc/88/24/69/368882469.db2.gz FSKOKAUEFRUKBY-PBINXNQUSA-N 2 0 211.309 -0.018 20 0 BBADRP C[N@H+](CCC(=O)NC(N)=O)CC(C)(C)C[NH3+] ZINC000086638075 536305042 /nfs/dbraw/zinc/30/50/42/536305042.db2.gz OSKTTZJWXIRFML-UHFFFAOYSA-N 2 0 230.312 -0.512 20 0 BBADRP O=C1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C(=O)N1 ZINC000086701504 359355444 /nfs/dbraw/zinc/35/54/44/359355444.db2.gz IZCZBJHNWMHJEH-SECBINFHSA-N 2 0 225.292 -0.619 20 0 BBADRP O=C1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C(=O)N1 ZINC000086701510 359355455 /nfs/dbraw/zinc/35/54/55/359355455.db2.gz IZCZBJHNWMHJEH-VIFPVBQESA-N 2 0 225.292 -0.619 20 0 BBADRP C[N@H+](CCOCCO)CC1CC[NH2+]CC1 ZINC000086702793 536396564 /nfs/dbraw/zinc/39/65/64/536396564.db2.gz OHCPWZFODZBITK-UHFFFAOYSA-N 2 0 216.325 -0.073 20 0 BBADRP C[N@H+](CCS(C)(=O)=O)CC1CC[NH2+]CC1 ZINC000086702847 135095002 /nfs/dbraw/zinc/09/50/02/135095002.db2.gz ICNNXDCLDBZRAH-UHFFFAOYSA-N 2 0 234.365 -0.038 20 0 BBADRP C[C@@H](C(N)=O)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723821 385045800 /nfs/dbraw/zinc/04/58/00/385045800.db2.gz ZXGOZSARPAOGPZ-VIFPVBQESA-N 2 0 229.324 -0.310 20 0 BBADRP C[C@H](C(N)=O)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723823 388412349 /nfs/dbraw/zinc/41/23/49/388412349.db2.gz ZXGOZSARPAOGPZ-SECBINFHSA-N 2 0 229.324 -0.310 20 0 BBADRP [NH3+]CCCOC1CC[NH+](CCO)CC1 ZINC000086723837 643638785 /nfs/dbraw/zinc/63/87/85/643638785.db2.gz KBPNAQKHXJWDTA-UHFFFAOYSA-N 2 0 202.298 -0.192 20 0 BBADRP C[C@@H]1C[N@H+](CCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000086886260 135100108 /nfs/dbraw/zinc/10/01/08/135100108.db2.gz MBQCRUNIRZTDHY-NEPJUHHUSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H]1C[N@H+](CCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000086886263 135100136 /nfs/dbraw/zinc/10/01/36/135100136.db2.gz MBQCRUNIRZTDHY-RYUDHWBXSA-N 2 0 227.352 -0.012 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886905 644256993 /nfs/dbraw/zinc/25/69/93/644256993.db2.gz LDEFETMCSSSGRL-UTLUCORTSA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886907 644258436 /nfs/dbraw/zinc/25/84/36/644258436.db2.gz LDEFETMCSSSGRL-GUBZILKMSA-N 2 0 202.298 -0.337 20 0 BBADRP C[NH2+]CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932367 384721421 /nfs/dbraw/zinc/72/14/21/384721421.db2.gz LJJPWSSKBJUAPJ-NXEZZACHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH2+]CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932369 384720302 /nfs/dbraw/zinc/72/03/02/384720302.db2.gz LJJPWSSKBJUAPJ-VHSXEESVSA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000086932374 388110749 /nfs/dbraw/zinc/11/07/49/388110749.db2.gz FWEYOSFZUQQKQR-MWLCHTKSSA-N 2 0 223.320 -0.099 20 0 BBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000086932375 388111610 /nfs/dbraw/zinc/11/16/10/388111610.db2.gz FWEYOSFZUQQKQR-GXSJLCMTSA-N 2 0 223.320 -0.099 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087045314 535887598 /nfs/dbraw/zinc/88/75/98/535887598.db2.gz LPZGQRDODOGGEV-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087045530 535836815 /nfs/dbraw/zinc/83/68/15/535836815.db2.gz OIMUWOHBJFBSKY-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[NH2+]CC2)O1 ZINC000087046093 368888006 /nfs/dbraw/zinc/88/80/06/368888006.db2.gz HVHFMTAWFFICFD-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087047127 135105163 /nfs/dbraw/zinc/10/51/63/135105163.db2.gz AXIIIYJFCDAHQP-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087047586 368887867 /nfs/dbraw/zinc/88/78/67/368887867.db2.gz BULWDWDWXOPGMT-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP CCOCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000087325963 359907451 /nfs/dbraw/zinc/90/74/51/359907451.db2.gz CRJLVYCOGFXYQO-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP O[C@H](C[NH2+][C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000087415994 343648785 /nfs/dbraw/zinc/64/87/85/343648785.db2.gz YCWJOGDIJRMRMS-GHMZBOCLSA-N 2 0 214.309 -0.178 20 0 BBADRP O[C@@H](C[NH2+][C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000087415995 343648846 /nfs/dbraw/zinc/64/88/46/343648846.db2.gz YCWJOGDIJRMRMS-MNOVXSKESA-N 2 0 214.309 -0.178 20 0 BBADRP O[C@H](C[NH2+][C@H]1CCOC1)C[NH+]1CCCC1 ZINC000087415996 343649003 /nfs/dbraw/zinc/64/90/03/343649003.db2.gz YCWJOGDIJRMRMS-WDEREUQCSA-N 2 0 214.309 -0.178 20 0 BBADRP O[C@@H](C[NH2+][C@H]1CCOC1)C[NH+]1CCCC1 ZINC000087415997 343648937 /nfs/dbraw/zinc/64/89/37/343648937.db2.gz YCWJOGDIJRMRMS-QWRGUYRKSA-N 2 0 214.309 -0.178 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000087471674 487659230 /nfs/dbraw/zinc/65/92/30/487659230.db2.gz QRVPBUDEICBFMJ-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000087471675 388519712 /nfs/dbraw/zinc/51/97/12/388519712.db2.gz QRVPBUDEICBFMJ-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087471684 366595414 /nfs/dbraw/zinc/59/54/14/366595414.db2.gz IPTAFSGAHKIQAL-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]CCCN(C)C(=O)COCC[NH3+] ZINC000087471730 487659518 /nfs/dbraw/zinc/65/95/18/487659518.db2.gz NJHXCONZHDBKAY-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000087471756 366597334 /nfs/dbraw/zinc/59/73/34/366597334.db2.gz SNNYOOXWEVYTGX-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000087471781 366597441 /nfs/dbraw/zinc/59/74/41/366597441.db2.gz OPJKYZKWEPCXOD-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000087471782 366597404 /nfs/dbraw/zinc/59/74/04/366597404.db2.gz OPJKYZKWEPCXOD-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C[NH2+]CCOC ZINC000087471783 366597126 /nfs/dbraw/zinc/59/71/26/366597126.db2.gz DNYJXAQCUQRMAK-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H](C)C[NH2+]C ZINC000087471821 366598272 /nfs/dbraw/zinc/59/82/72/366598272.db2.gz GLQAXOOBTILBBD-VIFPVBQESA-N 2 0 201.314 -0.090 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@H](C)C[NH2+]C ZINC000087471822 366599035 /nfs/dbraw/zinc/59/90/35/366599035.db2.gz GLQAXOOBTILBBD-SECBINFHSA-N 2 0 201.314 -0.090 20 0 BBADRP C[NH2+]CCCN(C)CCN1CCOCC1 ZINC000087472556 135143163 /nfs/dbraw/zinc/14/31/63/135143163.db2.gz DMEZJVIVSIAXJP-UHFFFAOYSA-N 2 0 215.341 -0.140 20 0 BBADRP CCOC[C@@H](O)C[N@H+](C)CCC[NH2+]C ZINC000087472759 640898195 /nfs/dbraw/zinc/89/81/95/640898195.db2.gz BSCXSEVJYXDYGG-JTQLQIEISA-N 2 0 204.314 -0.075 20 0 BBADRP C[NH+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000087508194 135148633 /nfs/dbraw/zinc/14/86/33/135148633.db2.gz QGKFCHDDKUWFCX-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000087508198 535883538 /nfs/dbraw/zinc/88/35/38/535883538.db2.gz QGKFCHDDKUWFCX-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH+](C)CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000087508348 535836451 /nfs/dbraw/zinc/83/64/51/535836451.db2.gz OKNLEKMZUBELOS-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH+](C)CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000087508351 535836704 /nfs/dbraw/zinc/83/67/04/535836704.db2.gz OKNLEKMZUBELOS-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000087508733 366735598 /nfs/dbraw/zinc/73/55/98/366735598.db2.gz QCUMWJMVRRDPFV-SNVBAGLBSA-N 2 0 227.308 -0.813 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000087508737 366735441 /nfs/dbraw/zinc/73/54/41/366735441.db2.gz QCUMWJMVRRDPFV-JTQLQIEISA-N 2 0 227.308 -0.813 20 0 BBADRP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000087509027 135149789 /nfs/dbraw/zinc/14/97/89/135149789.db2.gz ATLIOLKHGGFWDP-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000087509032 135150039 /nfs/dbraw/zinc/15/00/39/135150039.db2.gz ATLIOLKHGGFWDP-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000087509034 135149857 /nfs/dbraw/zinc/14/98/57/135149857.db2.gz ATLIOLKHGGFWDP-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000087509037 135149814 /nfs/dbraw/zinc/14/98/14/135149814.db2.gz ATLIOLKHGGFWDP-ZJUUUORDSA-N 2 0 229.324 -0.569 20 0 BBADRP CC[N@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000087509453 135149906 /nfs/dbraw/zinc/14/99/06/135149906.db2.gz GRRHLNGVHPVBTB-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP CC[N@H+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000087509456 135149976 /nfs/dbraw/zinc/14/99/76/135149976.db2.gz GRRHLNGVHPVBTB-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000087509740 343651870 /nfs/dbraw/zinc/65/18/70/343651870.db2.gz LEJJJMZKSFUCBS-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000087509744 343651876 /nfs/dbraw/zinc/65/18/76/343651876.db2.gz LEJJJMZKSFUCBS-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000087510056 344234882 /nfs/dbraw/zinc/23/48/82/344234882.db2.gz DESFOJJTWHZFFF-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000087510059 366737404 /nfs/dbraw/zinc/73/74/04/366737404.db2.gz DESFOJJTWHZFFF-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP CN1CCN(C[C@@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000087613442 367917267 /nfs/dbraw/zinc/91/72/67/367917267.db2.gz GSFAKMIHUQJURI-NWDGAFQWSA-N 2 0 227.352 -0.012 20 0 BBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCF)C1 ZINC000087776587 641025422 /nfs/dbraw/zinc/02/54/22/641025422.db2.gz GCIRHBGIALBRFS-VIFPVBQESA-N 2 0 217.288 -0.257 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCF)C1 ZINC000087776588 643675129 /nfs/dbraw/zinc/67/51/29/643675129.db2.gz GCIRHBGIALBRFS-SECBINFHSA-N 2 0 217.288 -0.257 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])COC ZINC000088002228 343689566 /nfs/dbraw/zinc/68/95/66/343689566.db2.gz CLBKUXPGLHQUEK-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000088002277 351481152 /nfs/dbraw/zinc/48/11/52/351481152.db2.gz BNECYNHMRPHROH-SECBINFHSA-N 2 0 231.340 -0.336 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000088002278 351480896 /nfs/dbraw/zinc/48/08/96/351480896.db2.gz BNECYNHMRPHROH-VIFPVBQESA-N 2 0 231.340 -0.336 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@H]([NH3+])COC ZINC000088002372 133543075 /nfs/dbraw/zinc/54/30/75/133543075.db2.gz CEVMLXUSAPKMQD-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000088002408 351483729 /nfs/dbraw/zinc/48/37/29/351483729.db2.gz ABCSQORBXKRVQE-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000088002600 351480430 /nfs/dbraw/zinc/48/04/30/351480430.db2.gz OXMYCSQIQQNVNN-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000088002601 351480353 /nfs/dbraw/zinc/48/03/53/351480353.db2.gz OXMYCSQIQQNVNN-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000088003259 385921447 /nfs/dbraw/zinc/92/14/47/385921447.db2.gz IERQCEVDNPXMEP-ZJUUUORDSA-N 2 0 227.308 -0.733 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000088003260 385920051 /nfs/dbraw/zinc/92/00/51/385920051.db2.gz IERQCEVDNPXMEP-NXEZZACHSA-N 2 0 227.308 -0.733 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000088003413 136283402 /nfs/dbraw/zinc/28/34/02/136283402.db2.gz BNUFDSUYCRTTGQ-JGVFFNPUSA-N 2 0 203.286 -0.974 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000088003414 136283450 /nfs/dbraw/zinc/28/34/50/136283450.db2.gz BNUFDSUYCRTTGQ-HTQZYQBOSA-N 2 0 203.286 -0.974 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000088003415 136283164 /nfs/dbraw/zinc/28/31/64/136283164.db2.gz BNUFDSUYCRTTGQ-YUMQZZPRSA-N 2 0 203.286 -0.974 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000088003416 536864144 /nfs/dbraw/zinc/86/41/44/536864144.db2.gz BNUFDSUYCRTTGQ-SFYZADRCSA-N 2 0 203.286 -0.974 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000088003628 343690259 /nfs/dbraw/zinc/69/02/59/343690259.db2.gz STNOGDFEQYRRGQ-MRVPVSSYSA-N 2 0 217.313 -0.584 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000088003629 385966333 /nfs/dbraw/zinc/96/63/33/385966333.db2.gz STNOGDFEQYRRGQ-QMMMGPOBSA-N 2 0 217.313 -0.584 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000088003833 343690135 /nfs/dbraw/zinc/69/01/35/343690135.db2.gz DHRRJCAGVMSFPL-DTWKUNHWSA-N 2 0 217.313 -0.584 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000088003834 343690276 /nfs/dbraw/zinc/69/02/76/343690276.db2.gz DHRRJCAGVMSFPL-RKDXNWHRSA-N 2 0 217.313 -0.584 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000088003835 343690156 /nfs/dbraw/zinc/69/01/56/343690156.db2.gz DHRRJCAGVMSFPL-IUCAKERBSA-N 2 0 217.313 -0.584 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000088003836 351508344 /nfs/dbraw/zinc/50/83/44/351508344.db2.gz DHRRJCAGVMSFPL-BDAKNGLRSA-N 2 0 217.313 -0.584 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000088003837 351508312 /nfs/dbraw/zinc/50/83/12/351508312.db2.gz GAEDTEVJUOYGPR-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])COC ZINC000088003990 136283150 /nfs/dbraw/zinc/28/31/50/136283150.db2.gz TXYXMVMXROKTBT-ZJUUUORDSA-N 2 0 231.340 -0.193 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])COC ZINC000088003991 136282911 /nfs/dbraw/zinc/28/29/11/136282911.db2.gz TXYXMVMXROKTBT-UWVGGRQHSA-N 2 0 231.340 -0.193 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])COC ZINC000088003993 362819969 /nfs/dbraw/zinc/81/99/69/362819969.db2.gz VZLAPZQQEKXJNI-JTQLQIEISA-N 2 0 231.340 -0.240 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000088004113 136283209 /nfs/dbraw/zinc/28/32/09/136283209.db2.gz IKCJAJXRRYKIMT-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000088004114 136283221 /nfs/dbraw/zinc/28/32/21/136283221.db2.gz IKCJAJXRRYKIMT-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000088004117 136283482 /nfs/dbraw/zinc/28/34/82/136283482.db2.gz WLPZEJKZKUJAOW-SECBINFHSA-N 2 0 217.313 -0.584 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000088004118 384950615 /nfs/dbraw/zinc/95/06/15/384950615.db2.gz WLPZEJKZKUJAOW-VIFPVBQESA-N 2 0 217.313 -0.584 20 0 BBADRP C[N@H+](CCCF)CC(=O)N1CC[NH2+]CC1 ZINC000088026321 343694441 /nfs/dbraw/zinc/69/44/41/343694441.db2.gz JCAXTIMETHLEMB-UHFFFAOYSA-N 2 0 217.288 -0.290 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000088051067 362840800 /nfs/dbraw/zinc/84/08/00/362840800.db2.gz RWPZVHPRWPCNKZ-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C[NH3+])CC[C@@H]21 ZINC000088091213 136284298 /nfs/dbraw/zinc/28/42/98/136284298.db2.gz XIVQRHTUXOEDPV-UWVGGRQHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH3+])CC[C@@H]21 ZINC000088091214 536377439 /nfs/dbraw/zinc/37/74/39/536377439.db2.gz XIVQRHTUXOEDPV-ZJUUUORDSA-N 2 0 211.309 -0.112 20 0 BBADRP C[C@@H]1CO[C@H](CO)CN1CCn1ccnc1 ZINC000088094345 386097102 /nfs/dbraw/zinc/09/71/02/386097102.db2.gz XNTWDTJBYRMTNG-MNOVXSKESA-N 2 0 225.292 -0.035 20 0 BBADRP C[C@H]1CO[C@H](CO)CN1CCn1ccnc1 ZINC000088094346 386096737 /nfs/dbraw/zinc/09/67/37/386096737.db2.gz XNTWDTJBYRMTNG-QWRGUYRKSA-N 2 0 225.292 -0.035 20 0 BBADRP OC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000088098930 632654562 /nfs/dbraw/zinc/65/45/62/632654562.db2.gz NVIMXONKXRHMMZ-NSHDSACASA-N 2 0 214.309 -0.321 20 0 BBADRP OC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000088098932 641162276 /nfs/dbraw/zinc/16/22/76/641162276.db2.gz NVIMXONKXRHMMZ-LLVKDONJSA-N 2 0 214.309 -0.321 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000088130628 359938946 /nfs/dbraw/zinc/93/89/46/359938946.db2.gz FFZICNNPMZWERO-UHFFFAOYSA-N 2 0 241.335 -0.342 20 0 BBADRP CC(C)OC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287357 356655850 /nfs/dbraw/zinc/65/58/50/356655850.db2.gz QQZKTANKOBOSMZ-GRYCIOLGSA-N 2 0 228.336 -0.077 20 0 BBADRP CC(C)OC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287360 356655433 /nfs/dbraw/zinc/65/54/33/356655433.db2.gz QQZKTANKOBOSMZ-TUAOUCFPSA-N 2 0 228.336 -0.077 20 0 BBADRP CC(C)OC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287361 356655422 /nfs/dbraw/zinc/65/54/22/356655422.db2.gz QQZKTANKOBOSMZ-IJLUTSLNSA-N 2 0 228.336 -0.077 20 0 BBADRP CC(C)OC[C@@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287364 644515624 /nfs/dbraw/zinc/51/56/24/644515624.db2.gz QQZKTANKOBOSMZ-UTUOFQBUSA-N 2 0 228.336 -0.077 20 0 BBADRP O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)NC1CC1 ZINC000088287578 356656967 /nfs/dbraw/zinc/65/69/67/356656967.db2.gz OBMKXNQZUNJQHW-RKDXNWHRSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)NC1CC1 ZINC000088287581 356656898 /nfs/dbraw/zinc/65/68/98/356656898.db2.gz OBMKXNQZUNJQHW-IUCAKERBSA-N 2 0 209.293 -0.584 20 0 BBADRP CCCNC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287658 356657194 /nfs/dbraw/zinc/65/71/94/356657194.db2.gz DWRHIEAPFOVUKH-NXEZZACHSA-N 2 0 211.309 -0.336 20 0 BBADRP CCCNC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287660 356657165 /nfs/dbraw/zinc/65/71/65/356657165.db2.gz DWRHIEAPFOVUKH-UWVGGRQHSA-N 2 0 211.309 -0.336 20 0 BBADRP C[C@H](C(=O)N(C)C)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287791 356657167 /nfs/dbraw/zinc/65/71/67/356657167.db2.gz WPOGIWBRBIQPKM-OPRDCNLKSA-N 2 0 211.309 -0.386 20 0 BBADRP CC(C)NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287825 356657158 /nfs/dbraw/zinc/65/71/58/356657158.db2.gz HEXUJPQWMHMJBG-NXEZZACHSA-N 2 0 211.309 -0.338 20 0 BBADRP CCNC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288293 356656300 /nfs/dbraw/zinc/65/63/00/356656300.db2.gz URXHCNKVPXIARJ-AOOOYVTPSA-N 2 0 211.309 -0.336 20 0 BBADRP CCNC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088288295 356656497 /nfs/dbraw/zinc/65/64/97/356656497.db2.gz URXHCNKVPXIARJ-NXEZZACHSA-N 2 0 211.309 -0.336 20 0 BBADRP CCNC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088288297 356656294 /nfs/dbraw/zinc/65/62/94/356656294.db2.gz URXHCNKVPXIARJ-UWVGGRQHSA-N 2 0 211.309 -0.336 20 0 BBADRP CN(C)C(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088301036 368909894 /nfs/dbraw/zinc/90/98/94/368909894.db2.gz HJVDRNPTYIHSJR-AOOOYVTPSA-N 2 0 211.309 -0.384 20 0 BBADRP CN(C)C(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088301038 356660794 /nfs/dbraw/zinc/66/07/94/356660794.db2.gz HJVDRNPTYIHSJR-NXEZZACHSA-N 2 0 211.309 -0.384 20 0 BBADRP CN(C)C(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088301041 356660851 /nfs/dbraw/zinc/66/08/51/356660851.db2.gz HJVDRNPTYIHSJR-UWVGGRQHSA-N 2 0 211.309 -0.384 20 0 BBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH2+]CC1 ZINC000088397589 368912625 /nfs/dbraw/zinc/91/26/25/368912625.db2.gz DNSNNPFMBOKIMJ-KBPBESRZSA-N 2 0 249.358 -0.178 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747911 644563963 /nfs/dbraw/zinc/56/39/63/644563963.db2.gz MEWXDJXMYHLIIC-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000089747915 487851962 /nfs/dbraw/zinc/85/19/62/487851962.db2.gz MEWXDJXMYHLIIC-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP CN(CCN1CC[NH2+]CC1)Cc1cncn1C ZINC000090168740 487919831 /nfs/dbraw/zinc/91/98/31/487919831.db2.gz YHDANTDVOZCTQM-UHFFFAOYSA-N 2 0 237.351 -0.243 20 0 BBADRP O=C(CCn1ccnc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321514 386238708 /nfs/dbraw/zinc/23/87/08/386238708.db2.gz LMQNNTHWXFYDMP-PHIMTYICSA-N 2 0 234.303 -0.049 20 0 BBADRP CC[NH+](CC)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091298869 169778336 /nfs/dbraw/zinc/77/83/36/169778336.db2.gz KZVMOXFNPVKCMV-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[N@@H+]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091299250 173011384 /nfs/dbraw/zinc/01/13/84/173011384.db2.gz IKQVETPUBHEDQP-LLVKDONJSA-N 2 0 241.335 -0.471 20 0 BBADRP C[N@@H+]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091299251 173011594 /nfs/dbraw/zinc/01/15/94/173011594.db2.gz IKQVETPUBHEDQP-NSHDSACASA-N 2 0 241.335 -0.471 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[NH+]1CCCC1 ZINC000091299394 182021363 /nfs/dbraw/zinc/02/13/63/182021363.db2.gz XNFPGMPCUFPKGS-LLVKDONJSA-N 2 0 241.335 -0.423 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[NH+]1CCCC1 ZINC000091299395 182030545 /nfs/dbraw/zinc/03/05/45/182030545.db2.gz XNFPGMPCUFPKGS-NSHDSACASA-N 2 0 241.335 -0.423 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091310289 488042094 /nfs/dbraw/zinc/04/20/94/488042094.db2.gz UFZUQAGUJVCUIB-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091310291 488041972 /nfs/dbraw/zinc/04/19/72/488041972.db2.gz UFZUQAGUJVCUIB-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091310399 172394627 /nfs/dbraw/zinc/39/46/27/172394627.db2.gz TVMJCTUUCDOLHB-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091310401 172395943 /nfs/dbraw/zinc/39/59/43/172395943.db2.gz TVMJCTUUCDOLHB-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311072 360112801 /nfs/dbraw/zinc/11/28/01/360112801.db2.gz ZCQWWUUMHCHYJU-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311074 360112745 /nfs/dbraw/zinc/11/27/45/360112745.db2.gz ZCQWWUUMHCHYJU-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091311076 360112717 /nfs/dbraw/zinc/11/27/17/360112717.db2.gz ZCQWWUUMHCHYJU-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091311079 387206165 /nfs/dbraw/zinc/20/61/65/387206165.db2.gz ZCQWWUUMHCHYJU-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH+](C)CCCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091311350 360112470 /nfs/dbraw/zinc/11/24/70/360112470.db2.gz VUPQDBCXBOQJJY-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091311352 360112526 /nfs/dbraw/zinc/11/25/26/360112526.db2.gz VUPQDBCXBOQJJY-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[N@H+](CCNC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000091311894 172741188 /nfs/dbraw/zinc/74/11/88/172741188.db2.gz YJBSBTGUQPATPS-LLVKDONJSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@H+](CCNC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000091311895 386294668 /nfs/dbraw/zinc/29/46/68/386294668.db2.gz YJBSBTGUQPATPS-NSHDSACASA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000091393435 386296775 /nfs/dbraw/zinc/29/67/75/386296775.db2.gz HNYQJBZVIRBYCF-MNOVXSKESA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000091393436 386297429 /nfs/dbraw/zinc/29/74/29/386297429.db2.gz HNYQJBZVIRBYCF-QWRGUYRKSA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000091393437 386297736 /nfs/dbraw/zinc/29/77/36/386297736.db2.gz HNYQJBZVIRBYCF-GHMZBOCLSA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000091393438 386296071 /nfs/dbraw/zinc/29/60/71/386296071.db2.gz HNYQJBZVIRBYCF-WDEREUQCSA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000091394220 369011418 /nfs/dbraw/zinc/01/14/18/369011418.db2.gz MMKYCRRSIVDQAK-CYBMUJFWSA-N 2 0 240.395 -0.082 20 0 BBADRP C[NH+](C)[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000091394221 369011952 /nfs/dbraw/zinc/01/19/52/369011952.db2.gz MMKYCRRSIVDQAK-ZDUSSCGKSA-N 2 0 240.395 -0.082 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000091394242 386296872 /nfs/dbraw/zinc/29/68/72/386296872.db2.gz XCDXLYWKMPGBMD-VWYCJHECSA-N 2 0 241.335 -0.738 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000091394244 386297136 /nfs/dbraw/zinc/29/71/36/386297136.db2.gz XCDXLYWKMPGBMD-OUAUKWLOSA-N 2 0 241.335 -0.738 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000091394245 343950567 /nfs/dbraw/zinc/95/05/67/343950567.db2.gz XCDXLYWKMPGBMD-GARJFASQSA-N 2 0 241.335 -0.738 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000091412670 360114806 /nfs/dbraw/zinc/11/48/06/360114806.db2.gz MKCMXRJIRIVIHV-UHFFFAOYSA-N 2 0 241.335 -0.614 20 0 BBADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666886 360122293 /nfs/dbraw/zinc/12/22/93/360122293.db2.gz GDCNJAHXMCRHCZ-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666888 360122147 /nfs/dbraw/zinc/12/21/47/360122147.db2.gz GDCNJAHXMCRHCZ-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667892 632124158 /nfs/dbraw/zinc/12/41/58/632124158.db2.gz RYBWUUXAMPZQAP-NXEZZACHSA-N 2 0 239.319 -0.543 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000091667893 632123294 /nfs/dbraw/zinc/12/32/94/632123294.db2.gz RYBWUUXAMPZQAP-VHSXEESVSA-N 2 0 239.319 -0.543 20 0 BBADRP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091667894 632123199 /nfs/dbraw/zinc/12/31/99/632123199.db2.gz RYBWUUXAMPZQAP-ZJUUUORDSA-N 2 0 239.319 -0.543 20 0 BBADRP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000091667895 632124343 /nfs/dbraw/zinc/12/43/43/632124343.db2.gz RYBWUUXAMPZQAP-UWVGGRQHSA-N 2 0 239.319 -0.543 20 0 BBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000091667920 360123019 /nfs/dbraw/zinc/12/30/19/360123019.db2.gz YFQXCGTUWFSHNN-GHMZBOCLSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000091667921 360123416 /nfs/dbraw/zinc/12/34/16/360123416.db2.gz YFQXCGTUWFSHNN-WDEREUQCSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000091667922 360123087 /nfs/dbraw/zinc/12/30/87/360123087.db2.gz YFQXCGTUWFSHNN-MNOVXSKESA-N 2 0 239.319 -0.815 20 0 BBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000091667923 360123389 /nfs/dbraw/zinc/12/33/89/360123389.db2.gz YFQXCGTUWFSHNN-QWRGUYRKSA-N 2 0 239.319 -0.815 20 0 BBADRP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091667970 360122904 /nfs/dbraw/zinc/12/29/04/360122904.db2.gz UBOBYWOSPLUXCW-NXEZZACHSA-N 2 0 241.335 -0.297 20 0 BBADRP CC(C)([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091667971 360123401 /nfs/dbraw/zinc/12/34/01/360123401.db2.gz UBOBYWOSPLUXCW-ZJUUUORDSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668064 632124010 /nfs/dbraw/zinc/12/40/10/632124010.db2.gz BKHVPKCSERCAJV-GMTAPVOTSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668065 632122785 /nfs/dbraw/zinc/12/27/85/632122785.db2.gz BKHVPKCSERCAJV-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP [NH3+]CCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668273 360123443 /nfs/dbraw/zinc/12/34/43/360123443.db2.gz JJXCOAOQPMGWLQ-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668274 360123256 /nfs/dbraw/zinc/12/32/56/360123256.db2.gz JJXCOAOQPMGWLQ-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668275 360123439 /nfs/dbraw/zinc/12/34/39/360123439.db2.gz JJXCOAOQPMGWLQ-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000091668276 360123435 /nfs/dbraw/zinc/12/34/35/360123435.db2.gz JJXCOAOQPMGWLQ-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668351 360123459 /nfs/dbraw/zinc/12/34/59/360123459.db2.gz BKHVPKCSERCAJV-MXWKQRLJSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668352 360122830 /nfs/dbraw/zinc/12/28/30/360122830.db2.gz BKHVPKCSERCAJV-VWYCJHECSA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668361 360122678 /nfs/dbraw/zinc/12/26/78/360122678.db2.gz RSKIWVPRURBOBG-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668362 360122788 /nfs/dbraw/zinc/12/27/88/360122788.db2.gz RSKIWVPRURBOBG-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668369 632124195 /nfs/dbraw/zinc/12/41/95/632124195.db2.gz HVLHFQPAGFFKLX-HBNTYKKESA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668370 641581285 /nfs/dbraw/zinc/58/12/85/641581285.db2.gz HVLHFQPAGFFKLX-GMTAPVOTSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668371 631542124 /nfs/dbraw/zinc/54/21/24/631542124.db2.gz HVLHFQPAGFFKLX-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668372 632122984 /nfs/dbraw/zinc/12/29/84/632122984.db2.gz HVLHFQPAGFFKLX-MXWKQRLJSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668408 631543323 /nfs/dbraw/zinc/54/33/23/631543323.db2.gz ABAQWSAOAJUMFU-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668409 631542523 /nfs/dbraw/zinc/54/25/23/631542523.db2.gz ABAQWSAOAJUMFU-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668420 641581398 /nfs/dbraw/zinc/58/13/98/641581398.db2.gz ICAICLPNQGIEKW-HBNTYKKESA-N 2 0 241.335 -0.426 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668422 644635225 /nfs/dbraw/zinc/63/52/25/644635225.db2.gz ICAICLPNQGIEKW-AXFHLTTASA-N 2 0 241.335 -0.426 20 0 BBADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000091669083 360123429 /nfs/dbraw/zinc/12/34/29/360123429.db2.gz UWCWSZYWKGDUPP-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000091669085 360122613 /nfs/dbraw/zinc/12/26/13/360122613.db2.gz UWCWSZYWKGDUPP-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CCO1 ZINC000091669087 360123501 /nfs/dbraw/zinc/12/35/01/360123501.db2.gz UWCWSZYWKGDUPP-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CCO1 ZINC000091669088 360123296 /nfs/dbraw/zinc/12/32/96/360123296.db2.gz UWCWSZYWKGDUPP-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000091669136 360123161 /nfs/dbraw/zinc/12/31/61/360123161.db2.gz HDPCPLNIYIXJEO-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CCO1 ZINC000091669215 171395563 /nfs/dbraw/zinc/39/55/63/171395563.db2.gz BPDFXWPVIRMILJ-DCAQKATOSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000091669258 360123475 /nfs/dbraw/zinc/12/34/75/360123475.db2.gz HDPCPLNIYIXJEO-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CCO1 ZINC000091669259 360123100 /nfs/dbraw/zinc/12/31/00/360123100.db2.gz HDPCPLNIYIXJEO-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000091669372 384138837 /nfs/dbraw/zinc/13/88/37/384138837.db2.gz BPDFXWPVIRMILJ-MXWKQRLJSA-N 2 0 243.351 -0.193 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CCO1 ZINC000091669450 384138131 /nfs/dbraw/zinc/13/81/31/384138131.db2.gz BPDFXWPVIRMILJ-VWYCJHECSA-N 2 0 243.351 -0.193 20 0 BBADRP O=C1NC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)CCN12 ZINC000091753247 386305751 /nfs/dbraw/zinc/30/57/51/386305751.db2.gz UFAZPQXTSSSNSQ-WDEREUQCSA-N 2 0 238.335 -0.305 20 0 BBADRP O=C1NC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000091753249 386306810 /nfs/dbraw/zinc/30/68/10/386306810.db2.gz UFAZPQXTSSSNSQ-GHMZBOCLSA-N 2 0 238.335 -0.305 20 0 BBADRP CNC(=O)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846359 644642722 /nfs/dbraw/zinc/64/27/22/644642722.db2.gz RPWWYRSWXYYIFH-UHFFFAOYSA-N 2 0 242.323 -0.356 20 0 BBADRP C[N@H+](CCC(=O)NC(N)=O)C1CCC([NH3+])CC1 ZINC000091847965 644643110 /nfs/dbraw/zinc/64/31/10/644643110.db2.gz NCLWTYGFSHLAEY-UHFFFAOYSA-N 2 0 242.323 -0.227 20 0 BBADRP COCC[NH2+]CC(=O)NCC(C)(C)C[NH+](C)C ZINC000092495142 174331335 /nfs/dbraw/zinc/33/13/35/174331335.db2.gz KXKQUWBGZALYMN-UHFFFAOYSA-N 2 0 245.367 -0.074 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]CCOC ZINC000092495157 353431942 /nfs/dbraw/zinc/43/19/42/353431942.db2.gz QUPXYUFYXOOGBY-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]CCOC ZINC000092495158 353432000 /nfs/dbraw/zinc/43/20/00/353432000.db2.gz QUPXYUFYXOOGBY-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[NH2+]CC(=O)NCCC[NH+]1CCCC1 ZINC000092495180 174331798 /nfs/dbraw/zinc/33/17/98/174331798.db2.gz XQRBKUYJBXKKCG-UHFFFAOYSA-N 2 0 243.351 -0.176 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC([NH+](C)C)CC1 ZINC000092495214 174330828 /nfs/dbraw/zinc/33/08/28/174330828.db2.gz ZYFKTKFZTWNYCR-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)C[NH2+]CCOC)C1 ZINC000092495636 170015001 /nfs/dbraw/zinc/01/50/01/170015001.db2.gz YSALSFSOTQIGDI-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000092495875 174331004 /nfs/dbraw/zinc/33/10/04/174331004.db2.gz WPAUSGQLNADGAX-LLVKDONJSA-N 2 0 241.335 -0.471 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000092495876 174331187 /nfs/dbraw/zinc/33/11/87/174331187.db2.gz WPAUSGQLNADGAX-NSHDSACASA-N 2 0 241.335 -0.471 20 0 BBADRP COCC[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC000092509722 174330894 /nfs/dbraw/zinc/33/08/94/174330894.db2.gz XKBQHMUEQBAGPC-UHFFFAOYSA-N 2 0 243.351 -0.176 20 0 BBADRP COCC[NH2+]CC(=O)NCC1CC[NH+](C)CC1 ZINC000092509784 174331600 /nfs/dbraw/zinc/33/16/00/174331600.db2.gz AJSQMNCUFOFJPZ-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092509812 174331136 /nfs/dbraw/zinc/33/11/36/174331136.db2.gz ZOSWVJRWARMHGQ-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092509813 174331430 /nfs/dbraw/zinc/33/14/30/174331430.db2.gz ZOSWVJRWARMHGQ-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000092510012 344297413 /nfs/dbraw/zinc/29/74/13/344297413.db2.gz WJACVLDSVQVOPZ-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000092510015 344297633 /nfs/dbraw/zinc/29/76/33/344297633.db2.gz WJACVLDSVQVOPZ-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000092510623 174331310 /nfs/dbraw/zinc/33/13/10/174331310.db2.gz LPKLHKKLNVDSJJ-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000092510625 174331306 /nfs/dbraw/zinc/33/13/06/174331306.db2.gz LPKLHKKLNVDSJJ-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C[C@H]1CCC[N@@H+]1C ZINC000092629195 344299739 /nfs/dbraw/zinc/29/97/39/344299739.db2.gz SDMWCKIEZLMCRQ-CYBMUJFWSA-N 2 0 240.395 -0.082 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C[C@@H]1CCC[N@@H+]1C ZINC000092629196 344299910 /nfs/dbraw/zinc/29/99/10/344299910.db2.gz SDMWCKIEZLMCRQ-ZDUSSCGKSA-N 2 0 240.395 -0.082 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092956685 343150159 /nfs/dbraw/zinc/15/01/59/343150159.db2.gz WJUZDCOAXAXTFF-GHMZBOCLSA-N 2 0 243.351 -0.321 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092956686 343150250 /nfs/dbraw/zinc/15/02/50/343150250.db2.gz WJUZDCOAXAXTFF-WDEREUQCSA-N 2 0 243.351 -0.321 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092956687 343150285 /nfs/dbraw/zinc/15/02/85/343150285.db2.gz WJUZDCOAXAXTFF-MNOVXSKESA-N 2 0 243.351 -0.321 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092956688 343150223 /nfs/dbraw/zinc/15/02/23/343150223.db2.gz WJUZDCOAXAXTFF-QWRGUYRKSA-N 2 0 243.351 -0.321 20 0 BBADRP [NH3+]CCOCC(=O)NCCC[NH+]1CCCCC1 ZINC000093230597 488144422 /nfs/dbraw/zinc/14/44/22/488144422.db2.gz HOJTUNOFHALZRV-UHFFFAOYSA-N 2 0 243.351 -0.046 20 0 BBADRP CC[NH+]1CCC(N(C)C(=O)COCC[NH3+])CC1 ZINC000093230611 488144655 /nfs/dbraw/zinc/14/46/55/488144655.db2.gz JXAYCDYKQUWPSS-UHFFFAOYSA-N 2 0 243.351 -0.096 20 0 BBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)COCC[NH3+] ZINC000093230644 488144500 /nfs/dbraw/zinc/14/45/00/488144500.db2.gz JBYHQMRHZOQNBJ-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)COCC[NH3+] ZINC000093230645 488144212 /nfs/dbraw/zinc/14/42/12/488144212.db2.gz JBYHQMRHZOQNBJ-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000093230902 488143104 /nfs/dbraw/zinc/14/31/04/488143104.db2.gz AXBYICREJBXZBU-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000093230903 488143014 /nfs/dbraw/zinc/14/30/14/488143014.db2.gz AXBYICREJBXZBU-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP CC(C)[NH+]1CCC(NC(=O)COCC[NH3+])CC1 ZINC000093231072 488143033 /nfs/dbraw/zinc/14/30/33/488143033.db2.gz DLCBQFQRQBQNFU-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000093231556 488146034 /nfs/dbraw/zinc/14/60/34/488146034.db2.gz JYMOLFOEOUBKSL-UHFFFAOYSA-N 2 0 241.335 -0.484 20 0 BBADRP CC(C)C[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000093231623 487907895 /nfs/dbraw/zinc/90/78/95/487907895.db2.gz YIBGDUUYKSAFDL-UHFFFAOYSA-N 2 0 243.351 -0.238 20 0 BBADRP C[NH+](C)CC1CCN(C(=O)COCC[NH3+])CC1 ZINC000093231673 488146135 /nfs/dbraw/zinc/14/61/35/488146135.db2.gz JBVOQFRLMSEJNS-UHFFFAOYSA-N 2 0 243.351 -0.238 20 0 BBADRP C[C@@H](CNC(=O)COCC[NH3+])[NH+]1CCCCC1 ZINC000093231704 634474638 /nfs/dbraw/zinc/47/46/38/634474638.db2.gz QQOZZYFGZAZYMK-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@H](CNC(=O)COCC[NH3+])[NH+]1CCCCC1 ZINC000093231705 634476194 /nfs/dbraw/zinc/47/61/94/634476194.db2.gz QQOZZYFGZAZYMK-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)COCC[NH3+])C1 ZINC000093231830 488146510 /nfs/dbraw/zinc/14/65/10/488146510.db2.gz XTYOCQDVSQYNOO-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)COCC[NH3+])C1 ZINC000093231831 488146404 /nfs/dbraw/zinc/14/64/04/488146404.db2.gz XTYOCQDVSQYNOO-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP [NH3+]CCOCC(=O)NCC[NH+]1CCCCCC1 ZINC000093231844 488146492 /nfs/dbraw/zinc/14/64/92/488146492.db2.gz VNZXFHVXQVCQGV-UHFFFAOYSA-N 2 0 243.351 -0.046 20 0 BBADRP CC1CC[NH+](CCNC(=O)COCC[NH3+])CC1 ZINC000093231848 488146451 /nfs/dbraw/zinc/14/64/51/488146451.db2.gz SWUKKFMTRBEIMN-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CCC[NH+]1CCC(NC(=O)COCC[NH3+])CC1 ZINC000093231911 488146524 /nfs/dbraw/zinc/14/65/24/488146524.db2.gz DQEAMMYLCGZIIV-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CC[NH+]1CCC(CNC(=O)COCC[NH3+])CC1 ZINC000093232098 488146431 /nfs/dbraw/zinc/14/64/31/488146431.db2.gz MZNIOXNYFYODMK-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP C[C@@H](CNC(=O)COCC[NH3+])C[NH+]1CCCC1 ZINC000093232192 488147086 /nfs/dbraw/zinc/14/70/86/488147086.db2.gz LCEDUHGGVNTKKW-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP C[C@H](CNC(=O)COCC[NH3+])C[NH+]1CCCC1 ZINC000093232193 488147293 /nfs/dbraw/zinc/14/72/93/488147293.db2.gz LCEDUHGGVNTKKW-LLVKDONJSA-N 2 0 243.351 -0.190 20 0 BBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000093232222 488147417 /nfs/dbraw/zinc/14/74/17/488147417.db2.gz OJQGISFVANSGDM-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP CC[NH+](CC)[C@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000093232223 488147063 /nfs/dbraw/zinc/14/70/63/488147063.db2.gz OJQGISFVANSGDM-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000093232224 488147096 /nfs/dbraw/zinc/14/70/96/488147096.db2.gz ZVLGQGVEPFXPDY-LLVKDONJSA-N 2 0 241.335 -0.342 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000093232225 488147421 /nfs/dbraw/zinc/14/74/21/488147421.db2.gz ZVLGQGVEPFXPDY-NSHDSACASA-N 2 0 241.335 -0.342 20 0 BBADRP CN(CC1CC[NH+](C)CC1)C(=O)COCC[NH3+] ZINC000093232233 488147431 /nfs/dbraw/zinc/14/74/31/488147431.db2.gz WSLQBCCSGGDCOL-UHFFFAOYSA-N 2 0 243.351 -0.238 20 0 BBADRP C[N@H+](CCNC(=O)COCC[NH3+])C1CCCC1 ZINC000093232237 488147205 /nfs/dbraw/zinc/14/72/05/488147205.db2.gz FLXTWGPHUBBUJZ-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CCNC(=O)NC(=O)CN(C)CC(C)(C)C[NH3+] ZINC000093874131 360286221 /nfs/dbraw/zinc/28/62/21/360286221.db2.gz CWJNDAPCPKFGJB-UHFFFAOYSA-N 2 0 244.339 -0.251 20 0 BBADRP C[N@H+](CCN1C(=O)CNC1=O)CC(C)(C)C[NH3+] ZINC000093874186 386429774 /nfs/dbraw/zinc/42/97/74/386429774.db2.gz QDSFCJGRCSECRB-UHFFFAOYSA-N 2 0 242.323 -0.545 20 0 BBADRP CNC(=O)NC(=O)[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874326 360286206 /nfs/dbraw/zinc/28/62/06/360286206.db2.gz ORLGCIDDNAVSSQ-QMMMGPOBSA-N 2 0 244.339 -0.253 20 0 BBADRP CNC(=O)NC(=O)[C@@H](C)N(C)CC(C)(C)C[NH3+] ZINC000093874327 360286394 /nfs/dbraw/zinc/28/63/94/360286394.db2.gz ORLGCIDDNAVSSQ-MRVPVSSYSA-N 2 0 244.339 -0.253 20 0 BBADRP CN(C)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072376 344325705 /nfs/dbraw/zinc/32/57/05/344325705.db2.gz PWAOFXJNYMDZNN-UHFFFAOYSA-N 2 0 243.351 -0.096 20 0 BBADRP CCNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072766 360294949 /nfs/dbraw/zinc/29/49/49/360294949.db2.gz UZUCCLSRVHQDEN-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP COC[C@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094073021 631574308 /nfs/dbraw/zinc/57/43/08/631574308.db2.gz STEYRIQOWQRIIF-LLVKDONJSA-N 2 0 246.351 -0.177 20 0 BBADRP COC[C@@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094073023 711738846 /nfs/dbraw/zinc/73/88/46/711738846.db2.gz STEYRIQOWQRIIF-NSHDSACASA-N 2 0 246.351 -0.177 20 0 BBADRP COCC[N@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000094295357 487527604 /nfs/dbraw/zinc/52/76/04/487527604.db2.gz YTJQJVXZWQSCAE-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342126 173286023 /nfs/dbraw/zinc/28/60/23/173286023.db2.gz UTMQASPZYNTVBK-BDAKNGLRSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094342127 173286637 /nfs/dbraw/zinc/28/66/37/173286637.db2.gz UTMQASPZYNTVBK-IUCAKERBSA-N 2 0 242.323 -0.499 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094562594 169779244 /nfs/dbraw/zinc/77/92/44/169779244.db2.gz GBIPVNMNYFVCDX-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000094564837 173011167 /nfs/dbraw/zinc/01/11/67/173011167.db2.gz RCGVYOAZHKDWBJ-MNOVXSKESA-N 2 0 241.335 -0.343 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094570080 172394914 /nfs/dbraw/zinc/39/49/14/172394914.db2.gz YYSATWOVZDSKFU-ZJUUUORDSA-N 2 0 243.351 -0.051 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094570773 256638968 /nfs/dbraw/zinc/63/89/68/256638968.db2.gz GASSFSBMQMAJPU-AXFHLTTASA-N 2 0 243.351 -0.051 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094570774 135615515 /nfs/dbraw/zinc/61/55/15/135615515.db2.gz GASSFSBMQMAJPU-MXWKQRLJSA-N 2 0 243.351 -0.051 20 0 BBADRP C[N@H+](CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000094571635 386458660 /nfs/dbraw/zinc/45/86/60/386458660.db2.gz XCYUUFPTOYEGOS-MNOVXSKESA-N 2 0 241.335 -0.297 20 0 BBADRP CC1(OCC(=O)NC2CCC([NH3+])CC2)C[NH2+]C1 ZINC000098060189 487717579 /nfs/dbraw/zinc/71/75/79/487717579.db2.gz WVBAXYSOAWPPAC-UHFFFAOYSA-N 2 0 241.335 -0.249 20 0 BBADRP CC[NH+](CC)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000098061517 487720426 /nfs/dbraw/zinc/72/04/26/487720426.db2.gz SLLQUQYXZYEAAG-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061548 487720038 /nfs/dbraw/zinc/72/00/38/487720038.db2.gz ILGIRYULFGTVNL-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH+](C)CCCCNC(=O)COC1(C)C[NH2+]C1 ZINC000098061646 487720649 /nfs/dbraw/zinc/72/06/49/487720649.db2.gz KIWIXSHCPKRVBE-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061658 487720215 /nfs/dbraw/zinc/72/02/15/487720215.db2.gz WUUKXHXAZGHTFT-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061659 487720109 /nfs/dbraw/zinc/72/01/09/487720109.db2.gz WUUKXHXAZGHTFT-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061707 487720025 /nfs/dbraw/zinc/72/00/25/487720025.db2.gz ZOULXGCOXFUOKF-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)COC2(C)C[NH2+]C2)C1 ZINC000098061708 487720123 /nfs/dbraw/zinc/72/01/23/487720123.db2.gz ZOULXGCOXFUOKF-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@H+](CCNC(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000098061719 487720785 /nfs/dbraw/zinc/72/07/85/487720785.db2.gz XGCCFXPRGGPORC-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)COC1(C)C[NH2+]C1 ZINC000098061722 487720059 /nfs/dbraw/zinc/72/00/59/487720059.db2.gz XFDRHPAFPCPXDK-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)COC1(C)C[NH2+]C1 ZINC000098061723 487720039 /nfs/dbraw/zinc/72/00/39/487720039.db2.gz XFDRHPAFPCPXDK-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000098061742 487720274 /nfs/dbraw/zinc/72/02/74/487720274.db2.gz GGBQMGVCOBJWAH-UHFFFAOYSA-N 2 0 243.351 -0.179 20 0 BBADRP C[N@@H+]1CCCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000098061814 487720735 /nfs/dbraw/zinc/72/07/35/487720735.db2.gz XUVZEWNFNXTUBU-UHFFFAOYSA-N 2 0 241.335 -0.471 20 0 BBADRP CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103210968 323246255 /nfs/dbraw/zinc/24/62/55/323246255.db2.gz HXPVFMGSHGFZPC-UHFFFAOYSA-N 2 0 201.314 -0.042 20 0 BBADRP CCOCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103211003 344443673 /nfs/dbraw/zinc/44/36/73/344443673.db2.gz VBVNBAJHDFOAJA-UHFFFAOYSA-N 2 0 245.367 -0.025 20 0 BBADRP CO[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103212946 344443693 /nfs/dbraw/zinc/44/36/93/344443693.db2.gz IKBZPBMEZJZHCV-NSHDSACASA-N 2 0 245.367 -0.027 20 0 BBADRP CO[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103212950 368246178 /nfs/dbraw/zinc/24/61/78/368246178.db2.gz IKBZPBMEZJZHCV-LLVKDONJSA-N 2 0 245.367 -0.027 20 0 BBADRP COCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103213037 323245532 /nfs/dbraw/zinc/24/55/32/323245532.db2.gz MBTICEGZJHQBNZ-UHFFFAOYSA-N 2 0 245.367 -0.025 20 0 BBADRP C[NH+](C)CCN(CC[NH+](C)C)S(C)(=O)=O ZINC000104102197 358189101 /nfs/dbraw/zinc/18/91/01/358189101.db2.gz OUZHZKDBXXQLQK-UHFFFAOYSA-N 2 0 237.369 -0.629 20 0 BBADRP CNC(=O)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104137795 173286948 /nfs/dbraw/zinc/28/69/48/173286948.db2.gz MGDCUCFOXDUJSV-QMMMGPOBSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104137797 173287153 /nfs/dbraw/zinc/28/71/53/173287153.db2.gz MGDCUCFOXDUJSV-MRVPVSSYSA-N 2 0 242.323 -0.499 20 0 BBADRP CN(CCC[NH+](C)C)CCn1cc(C[NH3+])nn1 ZINC000104197139 410929057 /nfs/dbraw/zinc/92/90/57/410929057.db2.gz QGYJTLVPUUXJID-UHFFFAOYSA-N 2 0 240.355 -0.380 20 0 BBADRP CC[N@H+](C)CCNC(=O)COC1CC[NH2+]CC1 ZINC000104381986 388582425 /nfs/dbraw/zinc/58/24/25/388582425.db2.gz AXVAGKNKUGXZPR-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000104445955 176754802 /nfs/dbraw/zinc/75/48/02/176754802.db2.gz UQIDQNBRDQBQQI-YUMQZZPRSA-N 2 0 242.323 -0.371 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000104445958 384855734 /nfs/dbraw/zinc/85/57/34/384855734.db2.gz UQIDQNBRDQBQQI-SFYZADRCSA-N 2 0 242.323 -0.371 20 0 BBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104445961 384853450 /nfs/dbraw/zinc/85/34/50/384853450.db2.gz UQIDQNBRDQBQQI-JGVFFNPUSA-N 2 0 242.323 -0.371 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000104445964 384855744 /nfs/dbraw/zinc/85/57/44/384855744.db2.gz UQIDQNBRDQBQQI-HTQZYQBOSA-N 2 0 242.323 -0.371 20 0 BBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(N)=O)CC1 ZINC000105862168 386621056 /nfs/dbraw/zinc/62/10/56/386621056.db2.gz CYVHCSFFCFUAHG-JTQLQIEISA-N 2 0 243.351 -0.504 20 0 BBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(N)=O)CC1 ZINC000105862170 386620639 /nfs/dbraw/zinc/62/06/39/386620639.db2.gz CYVHCSFFCFUAHG-SNVBAGLBSA-N 2 0 243.351 -0.504 20 0 BBADRP CC[NH+]1CCC(NC(=O)C[NH2+]CCOC)CC1 ZINC000105900218 169953136 /nfs/dbraw/zinc/95/31/36/169953136.db2.gz LVXPKIWTOPXXQC-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP OC[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000107154417 635367450 /nfs/dbraw/zinc/36/74/50/635367450.db2.gz XGURKSJCHGWYCN-LLVKDONJSA-N 2 0 213.325 -0.652 20 0 BBADRP OC[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000107154420 635369679 /nfs/dbraw/zinc/36/96/79/635369679.db2.gz XGURKSJCHGWYCN-NSHDSACASA-N 2 0 213.325 -0.652 20 0 BBADRP [NH3+]CCN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000107215438 181391371 /nfs/dbraw/zinc/39/13/71/181391371.db2.gz OXIWULYWQYMYOU-LLVKDONJSA-N 2 0 213.325 -0.401 20 0 BBADRP [NH3+]CCN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000107215440 181393843 /nfs/dbraw/zinc/39/38/43/181393843.db2.gz OXIWULYWQYMYOU-NSHDSACASA-N 2 0 213.325 -0.401 20 0 BBADRP O=C1CCC(=O)N1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579779 387032426 /nfs/dbraw/zinc/03/24/26/387032426.db2.gz SFCAARCRNNFKEV-AOOOYVTPSA-N 2 0 237.303 -0.713 20 0 BBADRP O=C1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCCN1 ZINC000108325565 592705353 /nfs/dbraw/zinc/70/53/53/592705353.db2.gz STIPWWUTKKUYJL-JTQLQIEISA-N 2 0 211.309 -0.192 20 0 BBADRP O=C1C[N@H+](CC[C@H]2CC[NH2+]C2)CCCN1 ZINC000108325567 592705104 /nfs/dbraw/zinc/70/51/04/592705104.db2.gz STIPWWUTKKUYJL-SNVBAGLBSA-N 2 0 211.309 -0.192 20 0 BBADRP C[NH2+]CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000108325578 173326021 /nfs/dbraw/zinc/32/60/21/173326021.db2.gz ZOBVRSQQQVABME-UHFFFAOYSA-N 2 0 211.309 -0.098 20 0 BBADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC(=O)N1 ZINC000108356454 384783224 /nfs/dbraw/zinc/78/32/24/384783224.db2.gz QWHQDZAQSGJVDO-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC(=O)N1 ZINC000108356458 384785019 /nfs/dbraw/zinc/78/50/19/384785019.db2.gz QWHQDZAQSGJVDO-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000110649371 387066640 /nfs/dbraw/zinc/06/66/40/387066640.db2.gz MAKXVEFSSUQQLT-QMMMGPOBSA-N 2 0 242.323 -0.369 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000110649373 175801693 /nfs/dbraw/zinc/80/16/93/175801693.db2.gz MAKXVEFSSUQQLT-MRVPVSSYSA-N 2 0 242.323 -0.369 20 0 BBADRP CC1(C)C(=O)NCCN1CCN1CC[NH2+]CC1 ZINC000110657833 368785761 /nfs/dbraw/zinc/78/57/61/368785761.db2.gz ODYUBHHZBQRCFD-UHFFFAOYSA-N 2 0 240.351 -0.898 20 0 BBADRP C[N@@H+]1CCN(CCN2CC[NH2+]CC2)CC1(C)C ZINC000110720537 411118120 /nfs/dbraw/zinc/11/81/20/411118120.db2.gz FCFYWWNLCXATIT-UHFFFAOYSA-N 2 0 240.395 -0.082 20 0 BBADRP C[NH+](C)CCCNC(=O)COC1CC[NH2+]CC1 ZINC000111757269 356128860 /nfs/dbraw/zinc/12/88/60/356128860.db2.gz KXBFXSODFRPTON-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000112687621 370344547 /nfs/dbraw/zinc/34/45/47/370344547.db2.gz RGWJMYISXUHFKS-UHFFFAOYSA-N 2 0 216.329 -0.249 20 0 BBADRP CC[NH2+]CC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000113656270 368900224 /nfs/dbraw/zinc/90/02/24/368900224.db2.gz PIEORHZOWWSMMI-UHFFFAOYSA-N 2 0 242.323 -0.497 20 0 BBADRP C[NH+](C)CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000113990560 387234323 /nfs/dbraw/zinc/23/43/23/387234323.db2.gz YBPUUSQVIZLGBZ-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH+](C)CCN(CC[NH+](C)C)C(N)=O ZINC000116079248 323203437 /nfs/dbraw/zinc/20/34/37/323203437.db2.gz ICWWRTAZKLRCOD-UHFFFAOYSA-N 2 0 202.302 -0.510 20 0 BBADRP [NH3+]C1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000116107246 411422310 /nfs/dbraw/zinc/42/23/10/411422310.db2.gz QJQJIUVSGRHDMS-UDNWOFFPSA-N 2 0 226.324 -0.083 20 0 BBADRP [NH3+]C1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000116107256 487605573 /nfs/dbraw/zinc/60/55/73/487605573.db2.gz QJQJIUVSGRHDMS-RTBKNWGFSA-N 2 0 226.324 -0.083 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1CCC([NH3+])CC1 ZINC000118862987 411404251 /nfs/dbraw/zinc/40/42/51/411404251.db2.gz RHDRTRQEPHFKFZ-UHFFFAOYSA-N 2 0 249.380 -0.309 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000118959972 343064374 /nfs/dbraw/zinc/06/43/74/343064374.db2.gz KYUNQBWAJSODBN-GXSJLCMTSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000118960065 343064169 /nfs/dbraw/zinc/06/41/69/343064169.db2.gz KYUNQBWAJSODBN-ONGXEEELSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000118960137 343064045 /nfs/dbraw/zinc/06/40/45/343064045.db2.gz KYUNQBWAJSODBN-MWLCHTKSSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000118960215 343064090 /nfs/dbraw/zinc/06/40/90/343064090.db2.gz KYUNQBWAJSODBN-KOLCDFICSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000118993115 411412364 /nfs/dbraw/zinc/41/23/64/411412364.db2.gz FUAOPQJQCMJSBK-NHCYSSNCSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000118993244 632463155 /nfs/dbraw/zinc/46/31/55/632463155.db2.gz FUAOPQJQCMJSBK-SCVCMEIPSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000118993401 411412681 /nfs/dbraw/zinc/41/26/81/411412681.db2.gz FUAOPQJQCMJSBK-UMNHJUIQSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000118993483 632463746 /nfs/dbraw/zinc/46/37/46/632463746.db2.gz FUAOPQJQCMJSBK-FOGDFJRCSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000119222663 397882959 /nfs/dbraw/zinc/88/29/59/397882959.db2.gz TXAKCUXYEFLTLC-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP CC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000119222751 171196394 /nfs/dbraw/zinc/19/63/94/171196394.db2.gz TXAKCUXYEFLTLC-MWLCHTKSSA-N 2 0 211.309 -0.146 20 0 BBADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000119222862 397882671 /nfs/dbraw/zinc/88/26/71/397882671.db2.gz TXAKCUXYEFLTLC-ONGXEEELSA-N 2 0 211.309 -0.146 20 0 BBADRP CC[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000119222965 171197625 /nfs/dbraw/zinc/19/76/25/171197625.db2.gz TXAKCUXYEFLTLC-GXSJLCMTSA-N 2 0 211.309 -0.146 20 0 BBADRP C[N@H+](CCO)CCCN1CC[NH+](C)CC1 ZINC000119676152 384940217 /nfs/dbraw/zinc/94/02/17/384940217.db2.gz DZRBIQNEGNLTKH-UHFFFAOYSA-N 2 0 215.341 -0.452 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCC[NH2+]C1 ZINC000120210513 343112113 /nfs/dbraw/zinc/11/21/13/343112113.db2.gz KBOGIQWKYVHLQY-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCC[NH2+]C1 ZINC000120210648 343112197 /nfs/dbraw/zinc/11/21/97/343112197.db2.gz KBOGIQWKYVHLQY-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CCC[NH2+]C1 ZINC000120210796 343112104 /nfs/dbraw/zinc/11/21/04/343112104.db2.gz KBOGIQWKYVHLQY-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCC[NH2+]C1 ZINC000120210933 343112007 /nfs/dbraw/zinc/11/20/07/343112007.db2.gz KBOGIQWKYVHLQY-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000120352240 182017625 /nfs/dbraw/zinc/01/76/25/182017625.db2.gz YZQXBCRFSCCMMF-UWVGGRQHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000120352370 182017652 /nfs/dbraw/zinc/01/76/52/182017652.db2.gz YZQXBCRFSCCMMF-VHSXEESVSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000120352506 182028863 /nfs/dbraw/zinc/02/88/63/182028863.db2.gz YZQXBCRFSCCMMF-ZJUUUORDSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000120352667 182028518 /nfs/dbraw/zinc/02/85/18/182028518.db2.gz YZQXBCRFSCCMMF-NXEZZACHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000120415051 182329471 /nfs/dbraw/zinc/32/94/71/182329471.db2.gz MYCSZAKSIAPKCP-WPRPVWTQSA-N 2 0 215.272 -0.444 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000120415225 182295548 /nfs/dbraw/zinc/29/55/48/182295548.db2.gz MYCSZAKSIAPKCP-SCZZXKLOSA-N 2 0 215.272 -0.444 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000120415362 182329504 /nfs/dbraw/zinc/32/95/04/182329504.db2.gz MYCSZAKSIAPKCP-WCBMZHEXSA-N 2 0 215.272 -0.444 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000120415517 182293426 /nfs/dbraw/zinc/29/34/26/182293426.db2.gz MYCSZAKSIAPKCP-PSASIEDQSA-N 2 0 215.272 -0.444 20 0 BBADRP C[NH2+]CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000121215785 343265614 /nfs/dbraw/zinc/26/56/14/343265614.db2.gz RFCRFGNNVMOQSN-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000121215949 343265433 /nfs/dbraw/zinc/26/54/33/343265433.db2.gz RFCRFGNNVMOQSN-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000121735606 173348681 /nfs/dbraw/zinc/34/86/81/173348681.db2.gz GCIWZJNUVKGETQ-VIFPVBQESA-N 2 0 203.261 -0.586 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000121735739 173347834 /nfs/dbraw/zinc/34/78/34/173347834.db2.gz GCIWZJNUVKGETQ-SECBINFHSA-N 2 0 203.261 -0.586 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000122108086 182237807 /nfs/dbraw/zinc/23/78/07/182237807.db2.gz IQDBZDJQKVMPTO-UWVGGRQHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000122108304 385886867 /nfs/dbraw/zinc/88/68/67/385886867.db2.gz IQDBZDJQKVMPTO-ZJUUUORDSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000122108518 182238126 /nfs/dbraw/zinc/23/81/26/182238126.db2.gz IQDBZDJQKVMPTO-VHSXEESVSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000122108728 187354775 /nfs/dbraw/zinc/35/47/75/187354775.db2.gz IQDBZDJQKVMPTO-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1CCOCC1 ZINC000122323196 386742689 /nfs/dbraw/zinc/74/26/89/386742689.db2.gz IBGWZQXXVJZWPW-VXGBXAGGSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1CCOCC1 ZINC000122323434 177361703 /nfs/dbraw/zinc/36/17/03/177361703.db2.gz IBGWZQXXVJZWPW-NWDGAFQWSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1CCOCC1 ZINC000122323576 176367874 /nfs/dbraw/zinc/36/78/74/176367874.db2.gz IBGWZQXXVJZWPW-NEPJUHHUSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1CCOCC1 ZINC000122323844 177324274 /nfs/dbraw/zinc/32/42/74/177324274.db2.gz IBGWZQXXVJZWPW-RYUDHWBXSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)NC(N)=O ZINC000122343979 386742203 /nfs/dbraw/zinc/74/22/03/386742203.db2.gz WIVIKIVWAHUGHA-HTQZYQBOSA-N 2 0 228.296 -0.760 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)NC(N)=O ZINC000122344176 177360993 /nfs/dbraw/zinc/36/09/93/177360993.db2.gz WIVIKIVWAHUGHA-JGVFFNPUSA-N 2 0 228.296 -0.760 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)NC(N)=O ZINC000122344374 176367567 /nfs/dbraw/zinc/36/75/67/176367567.db2.gz WIVIKIVWAHUGHA-SFYZADRCSA-N 2 0 228.296 -0.760 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)NC(N)=O ZINC000122344573 177324170 /nfs/dbraw/zinc/32/41/70/177324170.db2.gz WIVIKIVWAHUGHA-YUMQZZPRSA-N 2 0 228.296 -0.760 20 0 BBADRP CNC(=O)NC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000122345286 173286893 /nfs/dbraw/zinc/28/68/93/173286893.db2.gz MHKQPGTZXHVSLH-HTQZYQBOSA-N 2 0 228.296 -0.889 20 0 BBADRP CNC(=O)NC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122345486 173287211 /nfs/dbraw/zinc/28/72/11/173287211.db2.gz MHKQPGTZXHVSLH-JGVFFNPUSA-N 2 0 228.296 -0.889 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)NC1CC1 ZINC000122370834 177324073 /nfs/dbraw/zinc/32/40/73/177324073.db2.gz WRMFIOBIVKIBNF-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP CN1CCN(C(=O)C[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000122569340 324049185 /nfs/dbraw/zinc/04/91/85/324049185.db2.gz ZRUWOLLOJDKJJV-MNOVXSKESA-N 2 0 241.335 -0.343 20 0 BBADRP CN1CCN(C(=O)C[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000122569531 324049711 /nfs/dbraw/zinc/04/97/11/324049711.db2.gz ZRUWOLLOJDKJJV-QWRGUYRKSA-N 2 0 241.335 -0.343 20 0 BBADRP CC[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000122743220 363543240 /nfs/dbraw/zinc/54/32/40/363543240.db2.gz DYYDBJXNTOVFCG-BDAKNGLRSA-N 2 0 242.323 -0.369 20 0 BBADRP CC[C@H]1C[N@H+](CCC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000122743363 363542885 /nfs/dbraw/zinc/54/28/85/363542885.db2.gz DYYDBJXNTOVFCG-IUCAKERBSA-N 2 0 242.323 -0.369 20 0 BBADRP CCn1cc(CN2CCN(C)C[C@@H]2C[NH3+])cn1 ZINC000122757134 343161049 /nfs/dbraw/zinc/16/10/49/343161049.db2.gz YFADSAJXAHFHSI-LBPRGKRZSA-N 2 0 237.351 -0.022 20 0 BBADRP CCn1ccnc1CN1CCN(C)C[C@@H]1C[NH3+] ZINC000122780649 343161184 /nfs/dbraw/zinc/16/11/84/343161184.db2.gz RBVWETWIWSUIEB-NSHDSACASA-N 2 0 237.351 -0.022 20 0 BBADRP CC[C@@H]1CN(CC(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000122874482 366335059 /nfs/dbraw/zinc/33/50/59/366335059.db2.gz FJPCXSCGMCEIMT-BDAKNGLRSA-N 2 0 242.323 -0.499 20 0 BBADRP C[NH+]1CCN(CCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000123103068 173082864 /nfs/dbraw/zinc/08/28/64/173082864.db2.gz GTXZFFLEKJEXQA-UHFFFAOYSA-N 2 0 242.367 -0.665 20 0 BBADRP C[N@H+](CCC[NH3+])CCN1C(=O)NC(C)(C)C1=O ZINC000123312248 411441984 /nfs/dbraw/zinc/44/19/84/411441984.db2.gz RUCHDRFNVGIHKX-UHFFFAOYSA-N 2 0 242.323 -0.403 20 0 BBADRP CNC(=O)NC(=O)CCN1CCC[C@H]1C[NH2+]C ZINC000123578810 173368846 /nfs/dbraw/zinc/36/88/46/173368846.db2.gz GXRHRDLZPWGZRG-VIFPVBQESA-N 2 0 242.323 -0.484 20 0 BBADRP CNC(=O)NC(=O)CCN1CCC[C@@H]1C[NH2+]C ZINC000123579066 173380044 /nfs/dbraw/zinc/38/00/44/173380044.db2.gz GXRHRDLZPWGZRG-SECBINFHSA-N 2 0 242.323 -0.484 20 0 BBADRP [NH3+][C@@H](CC(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000123604480 589757984 /nfs/dbraw/zinc/75/79/84/589757984.db2.gz SUTUDZJZRASMJZ-JTQLQIEISA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@H](CC(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000123604627 589757951 /nfs/dbraw/zinc/75/79/51/589757951.db2.gz SUTUDZJZRASMJZ-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)NC(N)=O ZINC000123654618 187393305 /nfs/dbraw/zinc/39/33/05/187393305.db2.gz DZTVGLIOBGVOGO-SECBINFHSA-N 2 0 244.339 -0.123 20 0 BBADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)NC(N)=O ZINC000123654827 387590658 /nfs/dbraw/zinc/59/06/58/387590658.db2.gz DZTVGLIOBGVOGO-VIFPVBQESA-N 2 0 244.339 -0.123 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000123884411 343512050 /nfs/dbraw/zinc/51/20/50/343512050.db2.gz PWONWSDHFBDUJE-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP C[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1[NH+](C)C ZINC000123962110 176243756 /nfs/dbraw/zinc/24/37/56/176243756.db2.gz WTNYGMBLCLIPEK-SCZZXKLOSA-N 2 0 211.309 -0.386 20 0 BBADRP C[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1[NH+](C)C ZINC000123962371 177214331 /nfs/dbraw/zinc/21/43/31/177214331.db2.gz WTNYGMBLCLIPEK-WPRPVWTQSA-N 2 0 211.309 -0.386 20 0 BBADRP C[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1[NH+](C)C ZINC000123962594 176243934 /nfs/dbraw/zinc/24/39/34/176243934.db2.gz WTNYGMBLCLIPEK-PSASIEDQSA-N 2 0 211.309 -0.386 20 0 BBADRP C[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1[NH+](C)C ZINC000123962834 177214094 /nfs/dbraw/zinc/21/40/94/177214094.db2.gz WTNYGMBLCLIPEK-WCBMZHEXSA-N 2 0 211.309 -0.386 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000124019726 589905196 /nfs/dbraw/zinc/90/51/96/589905196.db2.gz AFHSNWNZLCYVCZ-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000124019938 589905044 /nfs/dbraw/zinc/90/50/44/589905044.db2.gz AFHSNWNZLCYVCZ-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000124350689 174292682 /nfs/dbraw/zinc/29/26/82/174292682.db2.gz QFZKJPUTPWSZGV-UHFFFAOYSA-N 2 0 216.325 -0.073 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000124447432 176326104 /nfs/dbraw/zinc/32/61/04/176326104.db2.gz RNCKRFCUISJTGE-NXEZZACHSA-N 2 0 243.376 -0.098 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000124447656 176326081 /nfs/dbraw/zinc/32/60/81/176326081.db2.gz RNCKRFCUISJTGE-ZJUUUORDSA-N 2 0 243.376 -0.098 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000124448613 176325314 /nfs/dbraw/zinc/32/53/14/176325314.db2.gz RZWTVOQOGBOSSX-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000124448822 176325089 /nfs/dbraw/zinc/32/50/89/176325089.db2.gz RZWTVOQOGBOSSX-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1C ZINC000124449513 343557828 /nfs/dbraw/zinc/55/78/28/343557828.db2.gz YNMVNSRXOZPMDA-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124500608 343162953 /nfs/dbraw/zinc/16/29/53/343162953.db2.gz LTHAYMDBCLEPGG-RKDXNWHRSA-N 2 0 242.323 -0.356 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124500812 343162552 /nfs/dbraw/zinc/16/25/52/343162552.db2.gz LTHAYMDBCLEPGG-DTWKUNHWSA-N 2 0 242.323 -0.356 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000124501052 343162851 /nfs/dbraw/zinc/16/28/51/343162851.db2.gz LTHAYMDBCLEPGG-BDAKNGLRSA-N 2 0 242.323 -0.356 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124501337 343162623 /nfs/dbraw/zinc/16/26/23/343162623.db2.gz LTHAYMDBCLEPGG-IUCAKERBSA-N 2 0 242.323 -0.356 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCOCC1 ZINC000124567444 343163342 /nfs/dbraw/zinc/16/33/42/343163342.db2.gz BPFLOKCVKVFAOS-GHMZBOCLSA-N 2 0 241.335 -0.343 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCOCC1 ZINC000124567652 343163515 /nfs/dbraw/zinc/16/35/15/343163515.db2.gz BPFLOKCVKVFAOS-WDEREUQCSA-N 2 0 241.335 -0.343 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N1CCOCC1 ZINC000124567892 343163620 /nfs/dbraw/zinc/16/36/20/343163620.db2.gz BPFLOKCVKVFAOS-MNOVXSKESA-N 2 0 241.335 -0.343 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)N1CCOCC1 ZINC000124568102 343163448 /nfs/dbraw/zinc/16/34/48/343163448.db2.gz BPFLOKCVKVFAOS-QWRGUYRKSA-N 2 0 241.335 -0.343 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000124576030 176325587 /nfs/dbraw/zinc/32/55/87/176325587.db2.gz GWQALCLDYDLQBG-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000124576507 176325667 /nfs/dbraw/zinc/32/56/67/176325667.db2.gz BXZUDAHGGNLXJU-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP CCNC(=O)NC(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000124604589 371203646 /nfs/dbraw/zinc/20/36/46/371203646.db2.gz LLGLSIJSPVAOGB-IUCAKERBSA-N 2 0 242.323 -0.356 20 0 BBADRP CCNC(=O)NC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124604765 371204069 /nfs/dbraw/zinc/20/40/69/371204069.db2.gz LLGLSIJSPVAOGB-DTWKUNHWSA-N 2 0 242.323 -0.356 20 0 BBADRP C[NH2+]CCCN(C)C(=O)COC1CC[NH2+]CC1 ZINC000124618880 343163579 /nfs/dbraw/zinc/16/35/79/343163579.db2.gz NDTMBOMTWVJEIF-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000124717863 343570653 /nfs/dbraw/zinc/57/06/53/343570653.db2.gz KBWKDOBHXTYWJX-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000124718055 343570829 /nfs/dbraw/zinc/57/08/29/343570829.db2.gz KBWKDOBHXTYWJX-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP O=C(C1C[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124812692 386164699 /nfs/dbraw/zinc/16/46/99/386164699.db2.gz VFTMITPTFUDRPV-AOOOYVTPSA-N 2 0 209.293 -0.441 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000125002955 176325624 /nfs/dbraw/zinc/32/56/24/176325624.db2.gz DUGLRXNADFMYME-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000125003117 176325285 /nfs/dbraw/zinc/32/52/85/176325285.db2.gz DUGLRXNADFMYME-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H](C(N)=O)C1 ZINC000125055076 173026559 /nfs/dbraw/zinc/02/65/59/173026559.db2.gz PEWGXDRBOOMHRD-MNOVXSKESA-N 2 0 241.335 -0.343 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000125277526 176327317 /nfs/dbraw/zinc/32/73/17/176327317.db2.gz LHCPWICFYTVRNG-SCZZXKLOSA-N 2 0 215.272 -0.492 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000125277730 176325388 /nfs/dbraw/zinc/32/53/88/176325388.db2.gz LHCPWICFYTVRNG-PSASIEDQSA-N 2 0 215.272 -0.492 20 0 BBADRP [NH3+]CCc1cn(CC[NH+]2CCCC2)nn1 ZINC000125348962 411364034 /nfs/dbraw/zinc/36/40/34/411364034.db2.gz RGHCLRGPRGGVFH-UHFFFAOYSA-N 2 0 209.297 -0.125 20 0 BBADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000125515541 172336342 /nfs/dbraw/zinc/33/63/42/172336342.db2.gz AJCLIEWVZQDFPR-NSHDSACASA-N 2 0 229.299 -0.102 20 0 BBADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000125515793 172331849 /nfs/dbraw/zinc/33/18/49/172331849.db2.gz AJCLIEWVZQDFPR-LLVKDONJSA-N 2 0 229.299 -0.102 20 0 BBADRP COCCCNC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125525777 634531886 /nfs/dbraw/zinc/53/18/86/634531886.db2.gz OWPWHEIVTRFPIM-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125533150 711794378 /nfs/dbraw/zinc/79/43/78/711794378.db2.gz VKSZYORQMAJTPC-IUCAKERBSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125533334 634533128 /nfs/dbraw/zinc/53/31/28/634533128.db2.gz VKSZYORQMAJTPC-BDAKNGLRSA-N 2 0 242.323 -0.499 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000125550213 177283250 /nfs/dbraw/zinc/28/32/50/177283250.db2.gz RNCKRFCUISJTGE-VHSXEESVSA-N 2 0 243.376 -0.098 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000125550437 177282948 /nfs/dbraw/zinc/28/29/48/177282948.db2.gz RNCKRFCUISJTGE-UWVGGRQHSA-N 2 0 243.376 -0.098 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000125552854 177282881 /nfs/dbraw/zinc/28/28/81/177282881.db2.gz RZWTVOQOGBOSSX-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000125553088 177282393 /nfs/dbraw/zinc/28/23/93/177282393.db2.gz RZWTVOQOGBOSSX-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000125553980 343635426 /nfs/dbraw/zinc/63/54/26/343635426.db2.gz YNMVNSRXOZPMDA-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000125572273 634560898 /nfs/dbraw/zinc/56/08/98/634560898.db2.gz ARPMRGLIGCOPQN-LLVKDONJSA-N 2 0 241.335 -0.484 20 0 BBADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000125572519 634559468 /nfs/dbraw/zinc/55/94/68/634559468.db2.gz ARPMRGLIGCOPQN-NSHDSACASA-N 2 0 241.335 -0.484 20 0 BBADRP C[NH+](C)C1(CNC(=O)COCC[NH3+])CCCC1 ZINC000125653238 411391541 /nfs/dbraw/zinc/39/15/41/411391541.db2.gz WIGINZCEZYXWEV-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000125714451 177282669 /nfs/dbraw/zinc/28/26/69/177282669.db2.gz GWQALCLDYDLQBG-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000125714859 177283266 /nfs/dbraw/zinc/28/32/66/177283266.db2.gz BXZUDAHGGNLXJU-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000125845920 343663570 /nfs/dbraw/zinc/66/35/70/343663570.db2.gz CPZYZIJNMHSIOV-LLVKDONJSA-N 2 0 240.351 -0.850 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000125846144 343663514 /nfs/dbraw/zinc/66/35/14/343663514.db2.gz CPZYZIJNMHSIOV-NSHDSACASA-N 2 0 240.351 -0.850 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000125849380 343663729 /nfs/dbraw/zinc/66/37/29/343663729.db2.gz KBWKDOBHXTYWJX-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000125849622 343663700 /nfs/dbraw/zinc/66/37/00/343663700.db2.gz KBWKDOBHXTYWJX-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP [NH3+]C1(CC(=O)NCCN2CC[NH2+]CC2)CCC1 ZINC000125865564 411405788 /nfs/dbraw/zinc/40/57/88/411405788.db2.gz PRZYRNTTXLZMSN-UHFFFAOYSA-N 2 0 240.351 -0.721 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000126101671 177283062 /nfs/dbraw/zinc/28/30/62/177283062.db2.gz DUGLRXNADFMYME-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000126101814 177282510 /nfs/dbraw/zinc/28/25/10/177282510.db2.gz DUGLRXNADFMYME-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000126371947 181327978 /nfs/dbraw/zinc/32/79/78/181327978.db2.gz NRATVDKGGSBPIL-GFCCVEGCSA-N 2 0 245.326 -0.039 20 0 BBADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000126372170 181329758 /nfs/dbraw/zinc/32/97/58/181329758.db2.gz NRATVDKGGSBPIL-LBPRGKRZSA-N 2 0 245.326 -0.039 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000126373362 177283581 /nfs/dbraw/zinc/28/35/81/177283581.db2.gz LHCPWICFYTVRNG-WPRPVWTQSA-N 2 0 215.272 -0.492 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000126373605 177282506 /nfs/dbraw/zinc/28/25/06/177282506.db2.gz LHCPWICFYTVRNG-WCBMZHEXSA-N 2 0 215.272 -0.492 20 0 BBADRP [NH3+]CC1(C(=O)N[C@@H]2CC[NH2+]C2)CCCC1 ZINC000126402792 181359613 /nfs/dbraw/zinc/35/96/13/181359613.db2.gz WAJAQFKQPYIYPD-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CC1(C(=O)N[C@H]2CC[NH2+]C2)CCCC1 ZINC000126402997 181358834 /nfs/dbraw/zinc/35/88/34/181358834.db2.gz WAJAQFKQPYIYPD-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP COCCOCCOCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000126536042 711768691 /nfs/dbraw/zinc/76/86/91/711768691.db2.gz BRFGMDZINXGMCO-GFCCVEGCSA-N 2 0 246.351 -0.053 20 0 BBADRP COCCOCCOCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000126536285 711768570 /nfs/dbraw/zinc/76/85/70/711768570.db2.gz BRFGMDZINXGMCO-LBPRGKRZSA-N 2 0 246.351 -0.053 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000126600968 490250248 /nfs/dbraw/zinc/25/02/48/490250248.db2.gz DVQPFBQWYKPVRK-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CC[NH2+]C1 ZINC000126658494 411450693 /nfs/dbraw/zinc/45/06/93/411450693.db2.gz HSMVMCUIRUEETO-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CC[NH2+]C1 ZINC000126658759 411451187 /nfs/dbraw/zinc/45/11/87/411451187.db2.gz HSMVMCUIRUEETO-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CC[NH2+]C1 ZINC000126658988 388699823 /nfs/dbraw/zinc/69/98/23/388699823.db2.gz HSMVMCUIRUEETO-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CC[NH2+]C1 ZINC000126659225 388699538 /nfs/dbraw/zinc/69/95/38/388699538.db2.gz HSMVMCUIRUEETO-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP CN(CCN1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000126729012 387050418 /nfs/dbraw/zinc/05/04/18/387050418.db2.gz MCHKXIOZYOOHRJ-LBPRGKRZSA-N 2 0 227.352 -0.012 20 0 BBADRP CN(CCN1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000126729203 387050115 /nfs/dbraw/zinc/05/01/15/387050115.db2.gz MCHKXIOZYOOHRJ-GFCCVEGCSA-N 2 0 227.352 -0.012 20 0 BBADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CNCCO1 ZINC000126746714 344084698 /nfs/dbraw/zinc/08/46/98/344084698.db2.gz MMPDDQXISHGQFV-UWVGGRQHSA-N 2 0 230.308 -0.284 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000126860867 387698355 /nfs/dbraw/zinc/69/83/55/387698355.db2.gz AMUSVZYOHXRHDW-WDEREUQCSA-N 2 0 216.325 -0.123 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000126861096 387697945 /nfs/dbraw/zinc/69/79/45/387697945.db2.gz AMUSVZYOHXRHDW-GHMZBOCLSA-N 2 0 216.325 -0.123 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(C)C1=O ZINC000126894156 343171623 /nfs/dbraw/zinc/17/16/23/343171623.db2.gz VMCWDWICCAIUSY-OPRDCNLKSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(C)C1=O ZINC000126894632 343171183 /nfs/dbraw/zinc/17/11/83/343171183.db2.gz VMCWDWICCAIUSY-KXUCPTDWSA-N 2 0 211.309 -0.114 20 0 BBADRP COCCCNC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127167649 387708781 /nfs/dbraw/zinc/70/87/81/387708781.db2.gz SRDPKJVZDXDHCC-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127395089 636504952 /nfs/dbraw/zinc/50/49/52/636504952.db2.gz CBJYCVPAZIQHBP-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH3+])CCOCC1 ZINC000127887652 387728746 /nfs/dbraw/zinc/72/87/46/387728746.db2.gz WFIPTZLNRFQNRI-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)C1([NH3+])CCOCC1 ZINC000127887906 387728589 /nfs/dbraw/zinc/72/85/89/387728589.db2.gz WFIPTZLNRFQNRI-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000127930833 182303651 /nfs/dbraw/zinc/30/36/51/182303651.db2.gz RQJYQFOXSXKDHI-APPZFPTMSA-N 2 0 201.245 -0.834 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000127931061 353280186 /nfs/dbraw/zinc/28/01/86/353280186.db2.gz RQJYQFOXSXKDHI-CBAPKCEASA-N 2 0 201.245 -0.834 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000127931319 353280052 /nfs/dbraw/zinc/28/00/52/353280052.db2.gz RQJYQFOXSXKDHI-VXNVDRBHSA-N 2 0 201.245 -0.834 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000127931534 182335527 /nfs/dbraw/zinc/33/55/27/182335527.db2.gz RQJYQFOXSXKDHI-IONNQARKSA-N 2 0 201.245 -0.834 20 0 BBADRP Cc1nn(C)cc1CN1CCN(C)C[C@@H]1C[NH3+] ZINC000128281452 343174038 /nfs/dbraw/zinc/17/40/38/343174038.db2.gz LCIGRNDCUWOBPA-LBPRGKRZSA-N 2 0 237.351 -0.197 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000128630065 324861344 /nfs/dbraw/zinc/86/13/44/324861344.db2.gz JQLUOBLQIQVPIC-GMTAPVOTSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000128630290 388777066 /nfs/dbraw/zinc/77/70/66/388777066.db2.gz JQLUOBLQIQVPIC-HBNTYKKESA-N 2 0 241.335 -0.249 20 0 BBADRP CC[C@]1(C(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000128768419 384964066 /nfs/dbraw/zinc/96/40/66/384964066.db2.gz XXGZDEVTQRGCEN-LLVKDONJSA-N 2 0 211.309 -0.050 20 0 BBADRP CC[C@@]1(C(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000128768622 171196335 /nfs/dbraw/zinc/19/63/35/171196335.db2.gz XXGZDEVTQRGCEN-NSHDSACASA-N 2 0 211.309 -0.050 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000128799499 387755886 /nfs/dbraw/zinc/75/58/86/387755886.db2.gz UFXYGCAYEQPWPC-BBBLOLIVSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000128799743 387756078 /nfs/dbraw/zinc/75/60/78/387756078.db2.gz UFXYGCAYEQPWPC-OPRDCNLKSA-N 2 0 227.308 -0.639 20 0 BBADRP CC[NH+](CC)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000128807760 386028991 /nfs/dbraw/zinc/02/89/91/386028991.db2.gz ODELDZBCKAOURD-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH+](CC)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000128807957 386027913 /nfs/dbraw/zinc/02/79/13/386027913.db2.gz ODELDZBCKAOURD-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128834767 388797746 /nfs/dbraw/zinc/79/77/46/388797746.db2.gz JUSUASHZOFSZBN-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[N@@H+]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000128865074 173012399 /nfs/dbraw/zinc/01/23/99/173012399.db2.gz IZTYQXCRTCMMOW-LLVKDONJSA-N 2 0 241.335 -0.471 20 0 BBADRP C[N@@H+]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000128865315 173012979 /nfs/dbraw/zinc/01/29/79/173012979.db2.gz IZTYQXCRTCMMOW-NSHDSACASA-N 2 0 241.335 -0.471 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000128893632 182021768 /nfs/dbraw/zinc/02/17/68/182021768.db2.gz QSWOOBYGPMOOML-LLVKDONJSA-N 2 0 241.335 -0.423 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000128893843 182030631 /nfs/dbraw/zinc/03/06/31/182030631.db2.gz QSWOOBYGPMOOML-NSHDSACASA-N 2 0 241.335 -0.423 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000128896156 384792889 /nfs/dbraw/zinc/79/28/89/384792889.db2.gz NXJDEIBRUJZUHP-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000128896419 384794062 /nfs/dbraw/zinc/79/40/62/384794062.db2.gz NXJDEIBRUJZUHP-IVZWLZJFSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H](C(=O)NCCC[NH+](C)C)C1C[NH2+]C1 ZINC000129047110 176571702 /nfs/dbraw/zinc/57/17/02/176571702.db2.gz AMBPMQAPKODMPA-VIFPVBQESA-N 2 0 213.325 -0.090 20 0 BBADRP C[C@@H](C(=O)NCCC[NH+](C)C)C1C[NH2+]C1 ZINC000129047322 384974621 /nfs/dbraw/zinc/97/46/21/384974621.db2.gz AMBPMQAPKODMPA-SECBINFHSA-N 2 0 213.325 -0.090 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000129066798 343961748 /nfs/dbraw/zinc/96/17/48/343961748.db2.gz LZBKUVYXDLDOFV-SNVBAGLBSA-N 2 0 228.340 -0.865 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129092114 411221648 /nfs/dbraw/zinc/22/16/48/411221648.db2.gz IUWDUMOEZGEQRC-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129092338 411221577 /nfs/dbraw/zinc/22/15/77/411221577.db2.gz IUWDUMOEZGEQRC-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000129098871 172395511 /nfs/dbraw/zinc/39/55/11/172395511.db2.gz UBVMWGKMILUQPZ-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000129099103 172395826 /nfs/dbraw/zinc/39/58/26/172395826.db2.gz UBVMWGKMILUQPZ-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000129141923 387764297 /nfs/dbraw/zinc/76/42/97/387764297.db2.gz KFNWOSQEGVVEHQ-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000129142141 387763512 /nfs/dbraw/zinc/76/35/12/387763512.db2.gz KFNWOSQEGVVEHQ-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000129142367 387763432 /nfs/dbraw/zinc/76/34/32/387763432.db2.gz KFNWOSQEGVVEHQ-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000129142574 387764842 /nfs/dbraw/zinc/76/48/42/387764842.db2.gz KFNWOSQEGVVEHQ-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000129197145 386062862 /nfs/dbraw/zinc/06/28/62/386062862.db2.gz LNMLGHPJLPHYAS-LLVKDONJSA-N 2 0 243.351 -0.179 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000129197412 188048534 /nfs/dbraw/zinc/04/85/34/188048534.db2.gz LNMLGHPJLPHYAS-NSHDSACASA-N 2 0 243.351 -0.179 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129218432 384984151 /nfs/dbraw/zinc/98/41/51/384984151.db2.gz DNIFZEZHBHOQQV-VIFPVBQESA-N 2 0 213.325 -0.090 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129218668 384985570 /nfs/dbraw/zinc/98/55/70/384985570.db2.gz DNIFZEZHBHOQQV-SECBINFHSA-N 2 0 213.325 -0.090 20 0 BBADRP C[C@@H](CC(N)=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000129300264 387768176 /nfs/dbraw/zinc/76/81/76/387768176.db2.gz KOZWANRTMJGQSL-UWVGGRQHSA-N 2 0 229.324 -0.703 20 0 BBADRP C[C@H](CC(N)=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000129300438 387766985 /nfs/dbraw/zinc/76/69/85/387766985.db2.gz KOZWANRTMJGQSL-ZJUUUORDSA-N 2 0 229.324 -0.703 20 0 BBADRP C[C@@H](CC(N)=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000129300625 136372534 /nfs/dbraw/zinc/37/25/34/136372534.db2.gz KOZWANRTMJGQSL-VHSXEESVSA-N 2 0 229.324 -0.703 20 0 BBADRP C[C@H](CC(N)=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000129300821 387767003 /nfs/dbraw/zinc/76/70/03/387767003.db2.gz KOZWANRTMJGQSL-NXEZZACHSA-N 2 0 229.324 -0.703 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCC[N@H+](C)CCOC ZINC000130353856 344134316 /nfs/dbraw/zinc/13/43/16/344134316.db2.gz YDLQWDWFIJSHCW-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000130458699 325053837 /nfs/dbraw/zinc/05/38/37/325053837.db2.gz APKJMLFFPSPPDB-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000130458916 325053754 /nfs/dbraw/zinc/05/37/54/325053754.db2.gz APKJMLFFPSPPDB-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000130510115 411356855 /nfs/dbraw/zinc/35/68/55/411356855.db2.gz XNTCODNJIGXGDY-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H](C[NH+](C)C)NC[C@H](O)C[NH+]1CCCC1 ZINC000130530176 411358855 /nfs/dbraw/zinc/35/88/55/411358855.db2.gz OCEOJNZILWVHMG-RYUDHWBXSA-N 2 0 229.368 -0.017 20 0 BBADRP C[C@@H](C[NH+](C)C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000130530617 410405154 /nfs/dbraw/zinc/40/51/54/410405154.db2.gz OCEOJNZILWVHMG-NWDGAFQWSA-N 2 0 229.368 -0.017 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCCOC ZINC000130552522 344147450 /nfs/dbraw/zinc/14/74/50/344147450.db2.gz RVZRTTGKHQRJPJ-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000130627118 344150991 /nfs/dbraw/zinc/15/09/91/344150991.db2.gz ZYUVBEPYWYTZLH-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000130730576 410406625 /nfs/dbraw/zinc/40/66/25/410406625.db2.gz GJIZBXSPRRXQNE-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000130731000 411411859 /nfs/dbraw/zinc/41/18/59/411411859.db2.gz GJIZBXSPRRXQNE-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000130731188 411411940 /nfs/dbraw/zinc/41/19/40/411411940.db2.gz GJIZBXSPRRXQNE-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP C[NH2+]CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000130922244 344226965 /nfs/dbraw/zinc/22/69/65/344226965.db2.gz UATRCIXOUJADJM-SECBINFHSA-N 2 0 231.365 -0.193 20 0 BBADRP C[NH2+]CCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000130922459 344208788 /nfs/dbraw/zinc/20/87/88/344208788.db2.gz UATRCIXOUJADJM-VIFPVBQESA-N 2 0 231.365 -0.193 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000130939323 344226948 /nfs/dbraw/zinc/22/69/48/344226948.db2.gz GGTSNIJHLMMJHP-RKDXNWHRSA-N 2 0 229.349 -0.440 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000130939518 344227295 /nfs/dbraw/zinc/22/72/95/344227295.db2.gz GGTSNIJHLMMJHP-DTWKUNHWSA-N 2 0 229.349 -0.440 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000130939732 344226843 /nfs/dbraw/zinc/22/68/43/344226843.db2.gz GGTSNIJHLMMJHP-BDAKNGLRSA-N 2 0 229.349 -0.440 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000130939970 344227013 /nfs/dbraw/zinc/22/70/13/344227013.db2.gz GGTSNIJHLMMJHP-IUCAKERBSA-N 2 0 229.349 -0.440 20 0 BBADRP COCC[NH2+]CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000131159564 344241660 /nfs/dbraw/zinc/24/16/60/344241660.db2.gz XNRDMSAFWBAAIF-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP O[C@H](C[NH2+]CC1(O)CCC1)C[NH+]1CCCC1 ZINC000131164640 343183168 /nfs/dbraw/zinc/18/31/68/343183168.db2.gz QNSOTAPCCYEUFX-LLVKDONJSA-N 2 0 228.336 -0.052 20 0 BBADRP O[C@@H](C[NH2+]CC1(O)CCC1)C[NH+]1CCCC1 ZINC000131164831 343183186 /nfs/dbraw/zinc/18/31/86/343183186.db2.gz QNSOTAPCCYEUFX-NSHDSACASA-N 2 0 228.336 -0.052 20 0 BBADRP CC(C)(C(=O)NCCCC[NH3+])N1CC[NH2+]CC1 ZINC000131255647 343183215 /nfs/dbraw/zinc/18/32/15/343183215.db2.gz YUAFMJJJWWFYDR-UHFFFAOYSA-N 2 0 242.367 -0.475 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1C(=O)CCC1=O ZINC000131508627 386209152 /nfs/dbraw/zinc/20/91/52/386209152.db2.gz RYIFWFRHIBHJPT-NXEZZACHSA-N 2 0 239.319 -0.196 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1C(=O)CCC1=O ZINC000131508815 177361989 /nfs/dbraw/zinc/36/19/89/177361989.db2.gz RYIFWFRHIBHJPT-VHSXEESVSA-N 2 0 239.319 -0.196 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1C(=O)CCC1=O ZINC000131509037 176368041 /nfs/dbraw/zinc/36/80/41/176368041.db2.gz RYIFWFRHIBHJPT-ZJUUUORDSA-N 2 0 239.319 -0.196 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1C(=O)CCC1=O ZINC000131509251 177325095 /nfs/dbraw/zinc/32/50/95/177325095.db2.gz RYIFWFRHIBHJPT-UWVGGRQHSA-N 2 0 239.319 -0.196 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131536729 371619387 /nfs/dbraw/zinc/61/93/87/371619387.db2.gz RJFCXGGBHWIUDL-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131536910 371618937 /nfs/dbraw/zinc/61/89/37/371618937.db2.gz RJFCXGGBHWIUDL-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000131537106 371619662 /nfs/dbraw/zinc/61/96/62/371619662.db2.gz RJFCXGGBHWIUDL-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000131537335 371619175 /nfs/dbraw/zinc/61/91/75/371619175.db2.gz RJFCXGGBHWIUDL-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131574464 173286365 /nfs/dbraw/zinc/28/63/65/173286365.db2.gz ZWRGRTBBVBMDLL-RKDXNWHRSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131574655 173286513 /nfs/dbraw/zinc/28/65/13/173286513.db2.gz ZWRGRTBBVBMDLL-DTWKUNHWSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131574879 173286255 /nfs/dbraw/zinc/28/62/55/173286255.db2.gz ZWRGRTBBVBMDLL-BDAKNGLRSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131575085 173286626 /nfs/dbraw/zinc/28/66/26/173286626.db2.gz ZWRGRTBBVBMDLL-IUCAKERBSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)[C@H](C)N1C[C@H](C[NH3+])C[C@H]1C ZINC000131648689 173288844 /nfs/dbraw/zinc/28/88/44/173288844.db2.gz GGGHTSAQPDFYSG-VGMNWLOBSA-N 2 0 242.323 -0.500 20 0 BBADRP CNC(=O)NC(=O)[C@H](C)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000131648911 173288821 /nfs/dbraw/zinc/28/88/21/173288821.db2.gz GGGHTSAQPDFYSG-CIUDSAMLSA-N 2 0 242.323 -0.500 20 0 BBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000131664248 344321544 /nfs/dbraw/zinc/32/15/44/344321544.db2.gz YKUZZEGXRUXMFY-NSHDSACASA-N 2 0 240.351 -0.850 20 0 BBADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000131664442 344321470 /nfs/dbraw/zinc/32/14/70/344321470.db2.gz YKUZZEGXRUXMFY-LLVKDONJSA-N 2 0 240.351 -0.850 20 0 BBADRP CC(C)[NH2+]CCC(=O)NCCN1CC[NH2+]CC1 ZINC000131665247 344321474 /nfs/dbraw/zinc/32/14/74/344321474.db2.gz WBFORMNMIXSCAT-UHFFFAOYSA-N 2 0 242.367 -0.604 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)N1CCOCC1 ZINC000131752505 177323877 /nfs/dbraw/zinc/32/38/77/177323877.db2.gz HCPHYPMRLQFUOE-QWRGUYRKSA-N 2 0 241.335 -0.486 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000131764330 344234986 /nfs/dbraw/zinc/23/49/86/344234986.db2.gz RZPSDTRJTJJNEJ-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000131764532 344234847 /nfs/dbraw/zinc/23/48/47/344234847.db2.gz RZPSDTRJTJJNEJ-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000131764757 536359562 /nfs/dbraw/zinc/35/95/62/536359562.db2.gz RZPSDTRJTJJNEJ-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000131764977 383849310 /nfs/dbraw/zinc/84/93/10/383849310.db2.gz RZPSDTRJTJJNEJ-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000131794867 325184402 /nfs/dbraw/zinc/18/44/02/325184402.db2.gz VJJMUOLLQLHRJO-LLVKDONJSA-N 2 0 221.304 -0.108 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000131795062 325184536 /nfs/dbraw/zinc/18/45/36/325184536.db2.gz VJJMUOLLQLHRJO-NSHDSACASA-N 2 0 221.304 -0.108 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000131807392 411627403 /nfs/dbraw/zinc/62/74/03/411627403.db2.gz XEMQAZZPRYCXEB-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000131851579 177222938 /nfs/dbraw/zinc/22/29/38/177222938.db2.gz LIMRSTOPJNPWPV-AEJSXWLSSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000131851806 177223325 /nfs/dbraw/zinc/22/33/25/177223325.db2.gz LIMRSTOPJNPWPV-GUBZILKMSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000131852025 176254579 /nfs/dbraw/zinc/25/45/79/176254579.db2.gz LIMRSTOPJNPWPV-BBBLOLIVSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131871601 344355297 /nfs/dbraw/zinc/35/52/97/344355297.db2.gz MSNRJWJOIUKCRA-VHSXEESVSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131871783 344355342 /nfs/dbraw/zinc/35/53/42/344355342.db2.gz MSNRJWJOIUKCRA-NXEZZACHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000131871996 344355278 /nfs/dbraw/zinc/35/52/78/344355278.db2.gz MSNRJWJOIUKCRA-UWVGGRQHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000131872220 344355068 /nfs/dbraw/zinc/35/50/68/344355068.db2.gz MSNRJWJOIUKCRA-ZJUUUORDSA-N 2 0 213.325 -0.042 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000131881400 176254928 /nfs/dbraw/zinc/25/49/28/176254928.db2.gz LDIVKFIHNMUBBC-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000131881606 177222854 /nfs/dbraw/zinc/22/28/54/177222854.db2.gz LDIVKFIHNMUBBC-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000131883037 344237191 /nfs/dbraw/zinc/23/71/91/344237191.db2.gz VMPOOENAQKRIFS-RKDXNWHRSA-N 2 0 231.365 -0.113 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000131883225 344237151 /nfs/dbraw/zinc/23/71/51/344237151.db2.gz VMPOOENAQKRIFS-DTWKUNHWSA-N 2 0 231.365 -0.113 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000131883429 344237613 /nfs/dbraw/zinc/23/76/13/344237613.db2.gz VMPOOENAQKRIFS-BDAKNGLRSA-N 2 0 231.365 -0.113 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000131883663 344237295 /nfs/dbraw/zinc/23/72/95/344237295.db2.gz VMPOOENAQKRIFS-IUCAKERBSA-N 2 0 231.365 -0.113 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000131942897 343260068 /nfs/dbraw/zinc/26/00/68/343260068.db2.gz HLEVDMYQSSUQPN-ZJUUUORDSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000131943329 343280105 /nfs/dbraw/zinc/28/01/05/343280105.db2.gz HLEVDMYQSSUQPN-NXEZZACHSA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000132017939 343397998 /nfs/dbraw/zinc/39/79/98/343397998.db2.gz VRICOYOEUMSPOH-NSHDSACASA-N 2 0 242.367 -0.524 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000132018135 343398023 /nfs/dbraw/zinc/39/80/23/343398023.db2.gz VRICOYOEUMSPOH-LLVKDONJSA-N 2 0 242.367 -0.524 20 0 BBADRP CN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000132018341 343398061 /nfs/dbraw/zinc/39/80/61/343398061.db2.gz YNIVMUXPFJTDGP-GHMZBOCLSA-N 2 0 240.351 -0.913 20 0 BBADRP CN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000132018585 343397949 /nfs/dbraw/zinc/39/79/49/343397949.db2.gz YNIVMUXPFJTDGP-MNOVXSKESA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000132024991 411744508 /nfs/dbraw/zinc/74/45/08/411744508.db2.gz BYDCOLICBZLHHG-DCAQKATOSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000132025188 411745008 /nfs/dbraw/zinc/74/50/08/411745008.db2.gz BYDCOLICBZLHHG-VWYCJHECSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000132025388 411744369 /nfs/dbraw/zinc/74/43/69/411744369.db2.gz BYDCOLICBZLHHG-GARJFASQSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000132025593 411744748 /nfs/dbraw/zinc/74/47/48/411744748.db2.gz BYDCOLICBZLHHG-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CSCN2)CCO1 ZINC000132027733 411744597 /nfs/dbraw/zinc/74/45/97/411744597.db2.gz UXKQVTPFNJCZIJ-YIZRAAEISA-N 2 0 245.348 -0.777 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CSCN2)CCO1 ZINC000132027912 411745069 /nfs/dbraw/zinc/74/50/69/411745069.db2.gz UXKQVTPFNJCZIJ-HLTSFMKQSA-N 2 0 245.348 -0.777 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CSCN2)CCO1 ZINC000132028118 411744549 /nfs/dbraw/zinc/74/45/49/411744549.db2.gz UXKQVTPFNJCZIJ-DJLDLDEBSA-N 2 0 245.348 -0.777 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CSCN2)CCO1 ZINC000132028335 411744820 /nfs/dbraw/zinc/74/48/20/411744820.db2.gz UXKQVTPFNJCZIJ-IWSPIJDZSA-N 2 0 245.348 -0.777 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000132028769 410423671 /nfs/dbraw/zinc/42/36/71/410423671.db2.gz LLTVJWPKBGLODR-MNOVXSKESA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000132028995 410423538 /nfs/dbraw/zinc/42/35/38/410423538.db2.gz LLTVJWPKBGLODR-GHMZBOCLSA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000132029205 411744297 /nfs/dbraw/zinc/74/42/97/411744297.db2.gz LLTVJWPKBGLODR-QWRGUYRKSA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000132029380 411744654 /nfs/dbraw/zinc/74/46/54/411744654.db2.gz LLTVJWPKBGLODR-WDEREUQCSA-N 2 0 243.351 -0.051 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000132033501 411747581 /nfs/dbraw/zinc/74/75/81/411747581.db2.gz FXTILYSZSWLKLK-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000132033710 411747146 /nfs/dbraw/zinc/74/71/46/411747146.db2.gz FXTILYSZSWLKLK-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000132033906 411747109 /nfs/dbraw/zinc/74/71/09/411747109.db2.gz FXTILYSZSWLKLK-HBNTYKKESA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000132034126 411747714 /nfs/dbraw/zinc/74/77/14/411747714.db2.gz FXTILYSZSWLKLK-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCCO ZINC000132198630 344283055 /nfs/dbraw/zinc/28/30/55/344283055.db2.gz DVFTXDHZVJROEY-MNOVXSKESA-N 2 0 216.325 -0.075 20 0 BBADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCCO ZINC000132198824 344283182 /nfs/dbraw/zinc/28/31/82/344283182.db2.gz DVFTXDHZVJROEY-QWRGUYRKSA-N 2 0 216.325 -0.075 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000132426984 386233873 /nfs/dbraw/zinc/23/38/73/386233873.db2.gz DEOOXMOSWYXAND-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H](CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000132892331 591747183 /nfs/dbraw/zinc/74/71/83/591747183.db2.gz MZUCRUIPUNSYLE-QWRGUYRKSA-N 2 0 216.325 -0.196 20 0 BBADRP C[C@H](CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000132893009 591746514 /nfs/dbraw/zinc/74/65/14/591746514.db2.gz MZUCRUIPUNSYLE-GHMZBOCLSA-N 2 0 216.325 -0.196 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000132968845 398231959 /nfs/dbraw/zinc/23/19/59/398231959.db2.gz BILWTFGCHWHIPQ-MXWKQRLJSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000132969037 325257271 /nfs/dbraw/zinc/25/72/71/325257271.db2.gz BILWTFGCHWHIPQ-AXFHLTTASA-N 2 0 241.335 -0.426 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132970388 174330996 /nfs/dbraw/zinc/33/09/96/174330996.db2.gz KZTQFLAMGRTWGQ-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132970573 174331670 /nfs/dbraw/zinc/33/16/70/174331670.db2.gz KZTQFLAMGRTWGQ-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132970795 174330832 /nfs/dbraw/zinc/33/08/32/174330832.db2.gz KZTQFLAMGRTWGQ-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132971010 174331231 /nfs/dbraw/zinc/33/12/31/174331231.db2.gz KZTQFLAMGRTWGQ-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133087160 710967310 /nfs/dbraw/zinc/96/73/10/710967310.db2.gz PZOWRMYNJTUQMC-NXEZZACHSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133087374 711558890 /nfs/dbraw/zinc/55/88/90/711558890.db2.gz PZOWRMYNJTUQMC-VHSXEESVSA-N 2 0 213.325 -0.009 20 0 BBADRP C[NH+](C)C[C@@H]1CCN(CCOCCO)C1 ZINC000133106437 191036319 /nfs/dbraw/zinc/03/63/19/191036319.db2.gz GPNRZWBUFBVGKX-NSHDSACASA-N 2 0 216.325 -0.121 20 0 BBADRP C[NH+](C)C[C@H]1CCN(CCOCCO)C1 ZINC000133106638 191036751 /nfs/dbraw/zinc/03/67/51/191036751.db2.gz GPNRZWBUFBVGKX-LLVKDONJSA-N 2 0 216.325 -0.121 20 0 BBADRP CNC(=O)NC(=O)CC[N@H+](C)CCC[NH3+] ZINC000133197021 372004567 /nfs/dbraw/zinc/00/45/67/372004567.db2.gz TXYFANWIZZLOSG-UHFFFAOYSA-N 2 0 216.285 -0.887 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1CCC(=O)NC(N)=O ZINC000133271853 173368569 /nfs/dbraw/zinc/36/85/69/173368569.db2.gz DMCMNPUHBPYXKA-QMMMGPOBSA-N 2 0 228.296 -0.745 20 0 BBADRP C[NH2+]C[C@H]1CCCN1CCC(=O)NC(N)=O ZINC000133272044 173379884 /nfs/dbraw/zinc/37/98/84/173379884.db2.gz DMCMNPUHBPYXKA-MRVPVSSYSA-N 2 0 228.296 -0.745 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000133380538 191106415 /nfs/dbraw/zinc/10/64/15/191106415.db2.gz MUKMVTBIJDXHGF-WOPDTQHZSA-N 3 0 229.368 -0.161 20 0 BBADRP COCC[N@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133594695 325303241 /nfs/dbraw/zinc/30/32/41/325303241.db2.gz GEEGBYFIZDWWCI-UHFFFAOYSA-N 2 0 246.355 -0.575 20 0 BBADRP C[NH+](C)CC1CC[NH+](C[C@H](O)CO)CC1 ZINC000133712355 711455808 /nfs/dbraw/zinc/45/58/08/711455808.db2.gz OSGKCRPZVJTDOB-NSHDSACASA-N 2 0 216.325 -0.387 20 0 BBADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)CO)CC1 ZINC000133712522 711559462 /nfs/dbraw/zinc/55/94/62/711559462.db2.gz OSGKCRPZVJTDOB-LLVKDONJSA-N 2 0 216.325 -0.387 20 0 BBADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC000133741247 711460070 /nfs/dbraw/zinc/46/00/70/711460070.db2.gz RQLYIAKMLJHCRT-SRVKXCTJSA-N 2 0 228.336 -0.244 20 0 BBADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CO)CC[C@@H]21 ZINC000133741503 711460339 /nfs/dbraw/zinc/46/03/39/711460339.db2.gz RQLYIAKMLJHCRT-WOPDTQHZSA-N 2 0 228.336 -0.244 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000133865456 345161868 /nfs/dbraw/zinc/16/18/68/345161868.db2.gz YOGRJSCXMSKRSD-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000133865647 345161571 /nfs/dbraw/zinc/16/15/71/345161571.db2.gz YOGRJSCXMSKRSD-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000133865840 345161946 /nfs/dbraw/zinc/16/19/46/345161946.db2.gz YOGRJSCXMSKRSD-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000133866034 345162003 /nfs/dbraw/zinc/16/20/03/345162003.db2.gz YOGRJSCXMSKRSD-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CN(C)CCN1C ZINC000134063950 358778322 /nfs/dbraw/zinc/77/83/22/358778322.db2.gz LNBVUJKLFYEIDB-QJPTWQEYSA-N 2 0 227.352 -0.001 20 0 BBADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CN(C)CCN1C ZINC000134064325 358778136 /nfs/dbraw/zinc/77/81/36/358778136.db2.gz LNBVUJKLFYEIDB-TUAOUCFPSA-N 2 0 227.352 -0.001 20 0 BBADRP C[C@H](O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000134120966 412067367 /nfs/dbraw/zinc/06/73/67/412067367.db2.gz QYLBFWYMZJHTJV-NSHDSACASA-N 2 0 215.341 -0.406 20 0 BBADRP C[C@@H](O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000134121186 412070273 /nfs/dbraw/zinc/07/02/73/412070273.db2.gz QYLBFWYMZJHTJV-LLVKDONJSA-N 2 0 215.341 -0.406 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000134208733 358784099 /nfs/dbraw/zinc/78/40/99/358784099.db2.gz OSUSOIQGTNFVOA-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000134208852 358783500 /nfs/dbraw/zinc/78/35/00/358783500.db2.gz OSUSOIQGTNFVOA-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000134366381 388476540 /nfs/dbraw/zinc/47/65/40/388476540.db2.gz NHBYPQDEEXOUOV-MWLCHTKSSA-N 2 0 211.309 -0.003 20 0 BBADRP CC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000134366399 171195790 /nfs/dbraw/zinc/19/57/90/171195790.db2.gz NHBYPQDEEXOUOV-KOLCDFICSA-N 2 0 211.309 -0.003 20 0 BBADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000134366424 171711704 /nfs/dbraw/zinc/71/17/04/171711704.db2.gz NHBYPQDEEXOUOV-GXSJLCMTSA-N 2 0 211.309 -0.003 20 0 BBADRP CC[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000134366445 171197642 /nfs/dbraw/zinc/19/76/42/171197642.db2.gz NHBYPQDEEXOUOV-ONGXEEELSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000134481044 487985283 /nfs/dbraw/zinc/98/52/83/487985283.db2.gz LRPZZNKHPSSPHC-SNVBAGLBSA-N 2 0 211.309 -0.192 20 0 BBADRP O=C(CC[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000134481062 487985550 /nfs/dbraw/zinc/98/55/50/487985550.db2.gz LRPZZNKHPSSPHC-JTQLQIEISA-N 2 0 211.309 -0.192 20 0 BBADRP CC[C@]1(C(=O)NCC[NH2+]CCOC)CCC[NH2+]1 ZINC000134622096 386438421 /nfs/dbraw/zinc/43/84/21/386438421.db2.gz LQFXRFNJBDXWGV-GFCCVEGCSA-N 2 0 243.351 -0.129 20 0 BBADRP COc1c(N)ncnc1N1CCN(C)CC1 ZINC000134807599 343195612 /nfs/dbraw/zinc/19/56/12/343195612.db2.gz YWFNEFPBVAIPKK-UHFFFAOYSA-N 2 0 223.280 -0.181 20 0 BBADRP COCCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000135294397 358828873 /nfs/dbraw/zinc/82/88/73/358828873.db2.gz HQDSATZWWARQQK-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP C[C@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000135309023 388490022 /nfs/dbraw/zinc/49/00/22/388490022.db2.gz MLHREOFGMAOGEQ-GHMZBOCLSA-N 2 0 241.335 -0.473 20 0 BBADRP O[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](O)C2)C1 ZINC000137030843 491088697 /nfs/dbraw/zinc/08/86/97/491088697.db2.gz ZXSNJCWDOWUDJX-ZRGSSGQVSA-N 2 0 226.320 -0.324 20 0 BBADRP O[C@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](O)C2)C1 ZINC000137030896 386328393 /nfs/dbraw/zinc/32/83/93/386328393.db2.gz ZXSNJCWDOWUDJX-NLMOASMRSA-N 2 0 226.320 -0.324 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000137305722 364506176 /nfs/dbraw/zinc/50/61/76/364506176.db2.gz HXTABVYNHOCZGJ-JTQLQIEISA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H](CNC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000137305754 364506350 /nfs/dbraw/zinc/50/63/50/364506350.db2.gz HXTABVYNHOCZGJ-SNVBAGLBSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000137470290 388561007 /nfs/dbraw/zinc/56/10/07/388561007.db2.gz ICRCACPWFUOIDY-ZJUUUORDSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000137470432 324216053 /nfs/dbraw/zinc/21/60/53/324216053.db2.gz ICRCACPWFUOIDY-NXEZZACHSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000137491682 345846370 /nfs/dbraw/zinc/84/63/70/345846370.db2.gz ZBXOLLIBDVVWKX-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000137491749 345846378 /nfs/dbraw/zinc/84/63/78/345846378.db2.gz ZBXOLLIBDVVWKX-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000137491826 345846561 /nfs/dbraw/zinc/84/65/61/345846561.db2.gz ZBXOLLIBDVVWKX-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000137491875 363788562 /nfs/dbraw/zinc/78/85/62/363788562.db2.gz ZBXOLLIBDVVWKX-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000137516245 345644554 /nfs/dbraw/zinc/64/45/54/345644554.db2.gz KQQPBFJZTATRTD-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000137516299 345644962 /nfs/dbraw/zinc/64/49/62/345644962.db2.gz KQQPBFJZTATRTD-QWRGUYRKSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000137516350 345644607 /nfs/dbraw/zinc/64/46/07/345644607.db2.gz KQQPBFJZTATRTD-GHMZBOCLSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000137516422 345846944 /nfs/dbraw/zinc/84/69/44/345846944.db2.gz KQQPBFJZTATRTD-WDEREUQCSA-N 2 0 241.335 -0.392 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000137839532 358001571 /nfs/dbraw/zinc/00/15/71/358001571.db2.gz UPZUWDIFFGWPNE-SSDOTTSWSA-N 2 0 237.311 -0.068 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000137839644 358001812 /nfs/dbraw/zinc/00/18/12/358001812.db2.gz UPZUWDIFFGWPNE-ZETCQYMHSA-N 2 0 237.311 -0.068 20 0 BBADRP Nc1nc(NCC[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000137858048 358005959 /nfs/dbraw/zinc/00/59/59/358005959.db2.gz MFBYRJMCJFGQJL-UHFFFAOYSA-N 2 0 237.311 -0.066 20 0 BBADRP C[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000137860508 358005948 /nfs/dbraw/zinc/00/59/48/358005948.db2.gz QFFUNPBBQCINCB-UHFFFAOYSA-N 2 0 223.284 -0.458 20 0 BBADRP [NH3+]CCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000143344674 345898428 /nfs/dbraw/zinc/89/84/28/345898428.db2.gz FSUACALWEPPITO-UHFFFAOYSA-N 2 0 240.351 -0.815 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000146370825 342768906 /nfs/dbraw/zinc/76/89/06/342768906.db2.gz FLLABXCHCUXFAB-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000146371004 342768732 /nfs/dbraw/zinc/76/87/32/342768732.db2.gz FLLABXCHCUXFAB-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]C1(C(=O)NC2CC[NH2+]CC2)CCC1 ZINC000147539934 711481729 /nfs/dbraw/zinc/48/17/29/711481729.db2.gz DRAXEAZESRWBBO-UHFFFAOYSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000148066195 346032317 /nfs/dbraw/zinc/03/23/17/346032317.db2.gz PWHJHYGDVARGRB-AOOOYVTPSA-N 2 0 211.309 -0.432 20 0 BBADRP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000148978302 345720592 /nfs/dbraw/zinc/72/05/92/345720592.db2.gz NKWXHSJNQRPNPA-JTQLQIEISA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000148978468 343416777 /nfs/dbraw/zinc/41/67/77/343416777.db2.gz NKWXHSJNQRPNPA-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000149012933 487481568 /nfs/dbraw/zinc/48/15/68/487481568.db2.gz LGEUNHRBQGWQKQ-MGCOHNPYSA-N 2 0 211.309 -0.079 20 0 BBADRP CC[N@H+](C)CCNC(=O)C1([NH3+])CCOCC1 ZINC000149716870 384945010 /nfs/dbraw/zinc/94/50/10/384945010.db2.gz OACTWFYRVCJAAU-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C[NH2+]CCOC)C1 ZINC000150991506 343304032 /nfs/dbraw/zinc/30/40/32/343304032.db2.gz WRMNQRNHBLJPKY-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C[NH2+]CCOC)C1 ZINC000150991546 343304064 /nfs/dbraw/zinc/30/40/64/343304064.db2.gz WRMNQRNHBLJPKY-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000151025439 387662465 /nfs/dbraw/zinc/66/24/65/387662465.db2.gz LJSJFHSSCCECPV-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000151025482 387661618 /nfs/dbraw/zinc/66/16/18/387661618.db2.gz LJSJFHSSCCECPV-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000151025532 387662389 /nfs/dbraw/zinc/66/23/89/387662389.db2.gz LJSJFHSSCCECPV-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000151025573 387661555 /nfs/dbraw/zinc/66/15/55/387661555.db2.gz LJSJFHSSCCECPV-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000151042817 384537346 /nfs/dbraw/zinc/53/73/46/384537346.db2.gz DLDDZURFONVCEH-KOLCDFICSA-N 2 0 229.299 -0.102 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000151042876 384536036 /nfs/dbraw/zinc/53/60/36/384536036.db2.gz DLDDZURFONVCEH-ONGXEEELSA-N 2 0 229.299 -0.102 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000151042941 384536330 /nfs/dbraw/zinc/53/63/30/384536330.db2.gz DLDDZURFONVCEH-MWLCHTKSSA-N 2 0 229.299 -0.102 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000151042999 384535882 /nfs/dbraw/zinc/53/58/82/384535882.db2.gz DLDDZURFONVCEH-GXSJLCMTSA-N 2 0 229.299 -0.102 20 0 BBADRP C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000151228394 387810788 /nfs/dbraw/zinc/81/07/88/387810788.db2.gz RINHNTACJNECKZ-VIFPVBQESA-N 2 0 201.314 -0.092 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000151239001 385096702 /nfs/dbraw/zinc/09/67/02/385096702.db2.gz RINHNTACJNECKZ-SECBINFHSA-N 2 0 201.314 -0.092 20 0 BBADRP C[NH2+]CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000151250074 343363728 /nfs/dbraw/zinc/36/37/28/343363728.db2.gz NMEQDPNLDXQKCW-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000151250141 343363748 /nfs/dbraw/zinc/36/37/48/343363748.db2.gz NMEQDPNLDXQKCW-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP CCN1CCO[C@@H](C(=O)NCC[NH2+]C)C1 ZINC000151274521 384557169 /nfs/dbraw/zinc/55/71/69/384557169.db2.gz QSISFKNGOAOKQB-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[C@]1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000151522806 487703302 /nfs/dbraw/zinc/70/33/02/487703302.db2.gz OXEJVVJGXKVHDW-NSHDSACASA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@]1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000151522874 487703060 /nfs/dbraw/zinc/70/30/60/487703060.db2.gz OXEJVVJGXKVHDW-LLVKDONJSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000151573816 488093744 /nfs/dbraw/zinc/09/37/44/488093744.db2.gz SKOUEUPJOFGGSV-SNVBAGLBSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000151573891 488093872 /nfs/dbraw/zinc/09/38/72/488093872.db2.gz SKOUEUPJOFGGSV-JTQLQIEISA-N 2 0 211.309 -0.003 20 0 BBADRP O[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](O)C2)C1 ZINC000151909508 323033182 /nfs/dbraw/zinc/03/31/82/323033182.db2.gz BLKUKMCIJUWVIZ-TXEJJXNPSA-N 2 0 244.335 -0.864 20 0 BBADRP O[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](O)C2)C1 ZINC000151909609 323044049 /nfs/dbraw/zinc/04/40/49/323044049.db2.gz BLKUKMCIJUWVIZ-RYUDHWBXSA-N 2 0 244.335 -0.864 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000152172939 384987249 /nfs/dbraw/zinc/98/72/49/384987249.db2.gz BNVPHQBFEZWQJF-NEPJUHHUSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000152173014 384988143 /nfs/dbraw/zinc/98/81/43/384988143.db2.gz BNVPHQBFEZWQJF-RYUDHWBXSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000152173094 384987623 /nfs/dbraw/zinc/98/76/23/384987623.db2.gz BNVPHQBFEZWQJF-VXGBXAGGSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000152173183 384985747 /nfs/dbraw/zinc/98/57/47/384985747.db2.gz BNVPHQBFEZWQJF-NWDGAFQWSA-N 2 0 249.314 -0.209 20 0 BBADRP COCC[NH2+]CCNC(=O)C(C)(C)C[NH3+] ZINC000152211898 487608602 /nfs/dbraw/zinc/60/86/02/487608602.db2.gz XXKHQZPXVNFLOP-UHFFFAOYSA-N 2 0 217.313 -0.677 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000152230844 343521500 /nfs/dbraw/zinc/52/15/00/343521500.db2.gz YKOQOCLTTRTIES-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000152230938 343521545 /nfs/dbraw/zinc/52/15/45/343521545.db2.gz YKOQOCLTTRTIES-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000152273935 385041382 /nfs/dbraw/zinc/04/13/82/385041382.db2.gz POJHEFWJUMHNNS-NSHDSACASA-N 2 0 245.367 -0.075 20 0 BBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCOC ZINC000152292686 385057666 /nfs/dbraw/zinc/05/76/66/385057666.db2.gz OXQZSFDMVCKCDR-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000152295563 385054783 /nfs/dbraw/zinc/05/47/83/385054783.db2.gz YWRRCUNUTQKIKJ-ZJUUUORDSA-N 2 0 231.340 -0.288 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000152295644 385055650 /nfs/dbraw/zinc/05/56/50/385055650.db2.gz YWRRCUNUTQKIKJ-UWVGGRQHSA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[NH2+]CCNC(=O)C[NH2+]CC1CC1 ZINC000152296997 343528027 /nfs/dbraw/zinc/52/80/27/343528027.db2.gz ACZGYBUZZKROFG-UHFFFAOYSA-N 2 0 229.324 -0.662 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000152314733 487799977 /nfs/dbraw/zinc/79/99/77/487799977.db2.gz ZTLUQAWJLFYHAW-JTQLQIEISA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000152314844 487799805 /nfs/dbraw/zinc/79/98/05/487799805.db2.gz ZTLUQAWJLFYHAW-SNVBAGLBSA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000152330342 353453010 /nfs/dbraw/zinc/45/30/10/353453010.db2.gz RNBUPGIFXZADEI-VIFPVBQESA-N 2 0 217.313 -0.678 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000152347515 344525063 /nfs/dbraw/zinc/52/50/63/344525063.db2.gz POJHEFWJUMHNNS-LLVKDONJSA-N 2 0 245.367 -0.075 20 0 BBADRP COCC[NH2+]CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000152347896 487875013 /nfs/dbraw/zinc/87/50/13/487875013.db2.gz KIXRNOOHOCTBFE-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP COCC[NH2+]CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000152347986 487874933 /nfs/dbraw/zinc/87/49/33/487874933.db2.gz KIXRNOOHOCTBFE-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000152348076 323177459 /nfs/dbraw/zinc/17/74/59/323177459.db2.gz JRBGLYQKOURMEE-NSHDSACASA-N 2 0 229.324 -0.662 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000152348167 323177384 /nfs/dbraw/zinc/17/73/84/323177384.db2.gz JRBGLYQKOURMEE-LLVKDONJSA-N 2 0 229.324 -0.662 20 0 BBADRP [NH3+]C1(C(=O)NC2C[NH2+]C2)Cc2ccccc2C1 ZINC000152372829 344533116 /nfs/dbraw/zinc/53/31/16/344533116.db2.gz FBGLQJWHVNNKIG-UHFFFAOYSA-N 2 0 231.299 -0.429 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H](C)[NH+](C)C ZINC000152471208 487520844 /nfs/dbraw/zinc/52/08/44/487520844.db2.gz GZFGQBVWQWDFCL-VIFPVBQESA-N 2 0 217.313 -0.711 20 0 BBADRP COCC[NH2+]CCNC(=O)C1(C[NH3+])CCCC1 ZINC000152485067 343559069 /nfs/dbraw/zinc/55/90/69/343559069.db2.gz MPUHAWKQCNGIFR-UHFFFAOYSA-N 2 0 243.351 -0.142 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000152503626 343558573 /nfs/dbraw/zinc/55/85/73/343558573.db2.gz NUGFVZGVLSFWHM-SNVBAGLBSA-N 2 0 229.324 -0.662 20 0 BBADRP COCC[NH2+]CCNC(=O)CC[NH2+]C(C)C ZINC000152503801 487861428 /nfs/dbraw/zinc/86/14/28/487861428.db2.gz LZFJCVWMRRSYHL-UHFFFAOYSA-N 2 0 231.340 -0.273 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152571291 324188637 /nfs/dbraw/zinc/18/86/37/324188637.db2.gz IKZXKLCBJJEVKG-LBPRGKRZSA-N 2 0 245.367 -0.243 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152571380 324188450 /nfs/dbraw/zinc/18/84/50/324188450.db2.gz IKZXKLCBJJEVKG-GFCCVEGCSA-N 2 0 245.367 -0.243 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152933818 323049143 /nfs/dbraw/zinc/04/91/43/323049143.db2.gz OKFPCROBWVBBRP-LBPRGKRZSA-N 2 0 245.367 -0.245 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152933940 398047829 /nfs/dbraw/zinc/04/78/29/398047829.db2.gz OKFPCROBWVBBRP-GFCCVEGCSA-N 2 0 245.367 -0.245 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000153038934 344736759 /nfs/dbraw/zinc/73/67/59/344736759.db2.gz AMUSVZYOHXRHDW-QWRGUYRKSA-N 2 0 216.325 -0.123 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000153039039 344736741 /nfs/dbraw/zinc/73/67/41/344736741.db2.gz AMUSVZYOHXRHDW-MNOVXSKESA-N 2 0 216.325 -0.123 20 0 BBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000153068205 388936694 /nfs/dbraw/zinc/93/66/94/388936694.db2.gz SHDNTHQDVDISDS-ZYHUDNBSSA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000153068310 388936106 /nfs/dbraw/zinc/93/61/06/388936106.db2.gz SHDNTHQDVDISDS-PWSUYJOCSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000153501293 388979428 /nfs/dbraw/zinc/97/94/28/388979428.db2.gz MIHBIXSJIMUIFU-JQWIXIFHSA-N 2 0 245.367 -0.245 20 0 BBADRP CC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000153501396 325974963 /nfs/dbraw/zinc/97/49/63/325974963.db2.gz MIHBIXSJIMUIFU-PWSUYJOCSA-N 2 0 245.367 -0.245 20 0 BBADRP CC[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000153501512 325974949 /nfs/dbraw/zinc/97/49/49/325974949.db2.gz MIHBIXSJIMUIFU-CMPLNLGQSA-N 2 0 245.367 -0.245 20 0 BBADRP CC[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000153501610 323051941 /nfs/dbraw/zinc/05/19/41/323051941.db2.gz MIHBIXSJIMUIFU-ZYHUDNBSSA-N 2 0 245.367 -0.245 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000153862979 343705593 /nfs/dbraw/zinc/70/55/93/343705593.db2.gz FWTXMYOZPLAWDF-OUAUKWLOSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000153863206 343705692 /nfs/dbraw/zinc/70/56/92/343705692.db2.gz FWTXMYOZPLAWDF-GMTAPVOTSA-N 2 0 241.335 -0.426 20 0 BBADRP O=C(C[NH2+]C1CC1)NCC1CC[NH2+]CC1 ZINC000153907744 343706096 /nfs/dbraw/zinc/70/60/96/343706096.db2.gz RNSKOJPHGOBHAH-UHFFFAOYSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000153915177 326119390 /nfs/dbraw/zinc/11/93/90/326119390.db2.gz HKBKDTMDYLKNJH-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000153915284 326119594 /nfs/dbraw/zinc/11/95/94/326119594.db2.gz HKBKDTMDYLKNJH-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[NH2+]C1CC1 ZINC000153929633 326120720 /nfs/dbraw/zinc/12/07/20/326120720.db2.gz BSRWXGCKHYNGKQ-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[NH2+]C1CC1 ZINC000153929720 326120502 /nfs/dbraw/zinc/12/05/02/326120502.db2.gz BSRWXGCKHYNGKQ-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000154094183 201261742 /nfs/dbraw/zinc/26/17/42/201261742.db2.gz SEEUWFVWIVPCOJ-AEJSXWLSSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000154094286 326131161 /nfs/dbraw/zinc/13/11/61/326131161.db2.gz SEEUWFVWIVPCOJ-GUBZILKMSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000154094380 201261574 /nfs/dbraw/zinc/26/15/74/201261574.db2.gz SEEUWFVWIVPCOJ-BBBLOLIVSA-N 2 0 227.308 -0.816 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154137979 201263391 /nfs/dbraw/zinc/26/33/91/201263391.db2.gz CVCVJSZRNSGRDP-AOOOYVTPSA-N 2 0 229.324 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000154138084 201264065 /nfs/dbraw/zinc/26/40/65/201264065.db2.gz CVCVJSZRNSGRDP-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000154138182 201262446 /nfs/dbraw/zinc/26/24/46/201262446.db2.gz CVCVJSZRNSGRDP-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP CN1CCN(C(=O)CCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000154154269 641971976 /nfs/dbraw/zinc/97/19/76/641971976.db2.gz JKICORDYEMFOCW-LLVKDONJSA-N 2 0 242.367 -0.393 20 0 BBADRP CN1CCN(C(=O)CCCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000154154398 632828949 /nfs/dbraw/zinc/82/89/49/632828949.db2.gz JKICORDYEMFOCW-NSHDSACASA-N 2 0 242.367 -0.393 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000154266231 642000085 /nfs/dbraw/zinc/00/00/85/642000085.db2.gz JTZOJGKSRKCADL-NGZCFLSTSA-N 2 0 229.299 -0.103 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000154266445 641998550 /nfs/dbraw/zinc/99/85/50/641998550.db2.gz JTZOJGKSRKCADL-KKZNHRDASA-N 2 0 229.299 -0.103 20 0 BBADRP [NH3+]CC1(NC(=O)C[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000154363536 343714537 /nfs/dbraw/zinc/71/45/37/343714537.db2.gz ZAUGINUUXBPABW-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]CC1(NC(=O)C[C@H]2C[NH2+]CCO2)CCCC1 ZINC000154363608 343714726 /nfs/dbraw/zinc/71/47/26/343714726.db2.gz ZAUGINUUXBPABW-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)C[NH2+]CCOC ZINC000154501534 642113042 /nfs/dbraw/zinc/11/30/42/642113042.db2.gz LCCDWXVOIHEPFT-UHFFFAOYSA-N 2 0 231.340 -0.144 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000154515179 360800813 /nfs/dbraw/zinc/80/08/13/360800813.db2.gz QNJOIDOIXJOINN-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000154515289 360805296 /nfs/dbraw/zinc/80/52/96/360805296.db2.gz QNJOIDOIXJOINN-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP CCC[NH2+]CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000154543747 345041960 /nfs/dbraw/zinc/04/19/60/345041960.db2.gz GOOYOTSHDYSKBK-UHFFFAOYSA-N 2 0 243.351 -0.129 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000154616184 360841789 /nfs/dbraw/zinc/84/17/89/360841789.db2.gz YZCLIBVXFSBCGM-GXSJLCMTSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000154616292 326153356 /nfs/dbraw/zinc/15/33/56/326153356.db2.gz YZCLIBVXFSBCGM-MWLCHTKSSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000154616398 326153501 /nfs/dbraw/zinc/15/35/01/326153501.db2.gz YZCLIBVXFSBCGM-ONGXEEELSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000154616494 326153514 /nfs/dbraw/zinc/15/35/14/326153514.db2.gz YZCLIBVXFSBCGM-KOLCDFICSA-N 2 0 213.325 -0.042 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000154669175 343745871 /nfs/dbraw/zinc/74/58/71/343745871.db2.gz RHUYXPUDEQCRQY-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000154694026 326158614 /nfs/dbraw/zinc/15/86/14/326158614.db2.gz WTCDGNXMDNZBQY-VHSXEESVSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000154694126 326158698 /nfs/dbraw/zinc/15/86/98/326158698.db2.gz WTCDGNXMDNZBQY-NXEZZACHSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000154694235 326158703 /nfs/dbraw/zinc/15/87/03/326158703.db2.gz WTCDGNXMDNZBQY-UWVGGRQHSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000154694339 326158431 /nfs/dbraw/zinc/15/84/31/326158431.db2.gz WTCDGNXMDNZBQY-ZJUUUORDSA-N 2 0 229.324 -0.663 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000155018976 487732257 /nfs/dbraw/zinc/73/22/57/487732257.db2.gz WGVUQSZCZXQKMC-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000155019096 487731869 /nfs/dbraw/zinc/73/18/69/487731869.db2.gz WGVUQSZCZXQKMC-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP COC1(C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC000155194978 345071331 /nfs/dbraw/zinc/07/13/31/345071331.db2.gz JFPGRZDCJCIVJL-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP COC1(C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC000155195068 345071339 /nfs/dbraw/zinc/07/13/39/345071339.db2.gz JFPGRZDCJCIVJL-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000155215730 360856792 /nfs/dbraw/zinc/85/67/92/360856792.db2.gz ALYCAQOUSNBWFN-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000155215850 641561627 /nfs/dbraw/zinc/56/16/27/641561627.db2.gz ALYCAQOUSNBWFN-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000155215965 134687584 /nfs/dbraw/zinc/68/75/84/134687584.db2.gz ALYCAQOUSNBWFN-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000155216078 641561773 /nfs/dbraw/zinc/56/17/73/641561773.db2.gz ALYCAQOUSNBWFN-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000155237572 344108841 /nfs/dbraw/zinc/10/88/41/344108841.db2.gz QHFUYLQORADBJS-MNOVXSKESA-N 2 0 242.367 -0.619 20 0 BBADRP C[C@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000155255195 360865768 /nfs/dbraw/zinc/86/57/68/360865768.db2.gz QBNVCELCQBJYSQ-WPRPVWTQSA-N 2 0 215.272 -0.492 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000155255306 360865570 /nfs/dbraw/zinc/86/55/70/360865570.db2.gz QBNVCELCQBJYSQ-PSASIEDQSA-N 2 0 215.272 -0.492 20 0 BBADRP C[C@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000155255412 360865813 /nfs/dbraw/zinc/86/58/13/360865813.db2.gz QBNVCELCQBJYSQ-WCBMZHEXSA-N 2 0 215.272 -0.492 20 0 BBADRP C[N@H+](CCO)[C@@H]1CCC[NH+](CCO)CC1 ZINC000156947624 385029721 /nfs/dbraw/zinc/02/97/21/385029721.db2.gz WYVDYQCWMNBNPB-LLVKDONJSA-N 2 0 216.325 -0.243 20 0 BBADRP C[N@H+](CCO)[C@H]1CCC[NH+](CCO)CC1 ZINC000156947772 385029140 /nfs/dbraw/zinc/02/91/40/385029140.db2.gz WYVDYQCWMNBNPB-NSHDSACASA-N 2 0 216.325 -0.243 20 0 BBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[NH3+])C1(C)C ZINC000157074394 343199296 /nfs/dbraw/zinc/19/92/96/343199296.db2.gz OGXMOWPZEPWWAH-SKDRFNHKSA-N 2 0 243.351 -0.016 20 0 BBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCC[NH3+])C1(C)C ZINC000157074556 343199399 /nfs/dbraw/zinc/19/93/99/343199399.db2.gz OGXMOWPZEPWWAH-CABZTGNLSA-N 2 0 243.351 -0.016 20 0 BBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[NH3+])C1(C)C ZINC000157074702 346376887 /nfs/dbraw/zinc/37/68/87/346376887.db2.gz OGXMOWPZEPWWAH-BXKDBHETSA-N 2 0 243.351 -0.016 20 0 BBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCC[NH3+])C1(C)C ZINC000157074846 343199221 /nfs/dbraw/zinc/19/92/21/343199221.db2.gz OGXMOWPZEPWWAH-JOYOIKCWSA-N 2 0 243.351 -0.016 20 0 BBADRP C[NH+]1CCC(CCNC(=O)COCC[NH3+])CC1 ZINC000157223210 487907540 /nfs/dbraw/zinc/90/75/40/487907540.db2.gz LAQRDNLLKJKUPF-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP COC1(C(=O)NC[C@@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000157248298 344181366 /nfs/dbraw/zinc/18/13/66/344181366.db2.gz ZDYFMGPALLFMPJ-SNVBAGLBSA-N 2 0 243.351 -0.146 20 0 BBADRP COC1(C(=O)NC[C@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000157248476 344181478 /nfs/dbraw/zinc/18/14/78/344181478.db2.gz ZDYFMGPALLFMPJ-JTQLQIEISA-N 2 0 243.351 -0.146 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000157268840 385122753 /nfs/dbraw/zinc/12/27/53/385122753.db2.gz LAKFYQQMXMSDRK-GHMZBOCLSA-N 2 0 240.351 -0.900 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000157272955 387777018 /nfs/dbraw/zinc/77/70/18/387777018.db2.gz KIYOHTDAYAQPJZ-BDAKNGLRSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000157273123 387777469 /nfs/dbraw/zinc/77/74/69/387777469.db2.gz KIYOHTDAYAQPJZ-IUCAKERBSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000157273275 387778658 /nfs/dbraw/zinc/77/86/58/387778658.db2.gz KIYOHTDAYAQPJZ-RKDXNWHRSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000157273436 133483634 /nfs/dbraw/zinc/48/36/34/133483634.db2.gz KIYOHTDAYAQPJZ-DTWKUNHWSA-N 2 0 215.297 -0.926 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000157315842 326267314 /nfs/dbraw/zinc/26/73/14/326267314.db2.gz FLWYELXCHPHPLZ-GHMZBOCLSA-N 2 0 243.351 -0.457 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000157316002 326267455 /nfs/dbraw/zinc/26/74/55/326267455.db2.gz FLWYELXCHPHPLZ-MNOVXSKESA-N 2 0 243.351 -0.457 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000157316160 346380644 /nfs/dbraw/zinc/38/06/44/346380644.db2.gz FLWYELXCHPHPLZ-WDEREUQCSA-N 2 0 243.351 -0.457 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000157316314 384801448 /nfs/dbraw/zinc/80/14/48/384801448.db2.gz FLWYELXCHPHPLZ-QWRGUYRKSA-N 2 0 243.351 -0.457 20 0 BBADRP COC[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000157344355 343199793 /nfs/dbraw/zinc/19/97/93/343199793.db2.gz NNWAUXXYONGMBC-NSHDSACASA-N 2 0 243.351 -0.368 20 0 BBADRP COC[C@H](C)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000157344513 343199663 /nfs/dbraw/zinc/19/96/63/343199663.db2.gz NNWAUXXYONGMBC-LLVKDONJSA-N 2 0 243.351 -0.368 20 0 BBADRP CC[NH+]1CCC(N(C)CC(=O)NC(N)=O)CC1 ZINC000157493591 384018192 /nfs/dbraw/zinc/01/81/92/384018192.db2.gz IVFJSCDYYZZKFQ-UHFFFAOYSA-N 2 0 242.323 -0.403 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000157802886 385288324 /nfs/dbraw/zinc/28/83/24/385288324.db2.gz BRQXQMGBXKSQFP-GHMZBOCLSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000157803037 385288183 /nfs/dbraw/zinc/28/81/83/385288183.db2.gz BRQXQMGBXKSQFP-MNOVXSKESA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000157803185 133492814 /nfs/dbraw/zinc/49/28/14/133492814.db2.gz BRQXQMGBXKSQFP-WDEREUQCSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000157803333 385289064 /nfs/dbraw/zinc/28/90/64/385289064.db2.gz BRQXQMGBXKSQFP-QWRGUYRKSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000158008369 383928562 /nfs/dbraw/zinc/92/85/62/383928562.db2.gz PRHNGNBRWUAIIK-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@]1(C(=O)N2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000158008502 383927917 /nfs/dbraw/zinc/92/79/17/383927917.db2.gz PRHNGNBRWUAIIK-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000158008646 397940215 /nfs/dbraw/zinc/94/02/15/397940215.db2.gz PRHNGNBRWUAIIK-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000158008793 383927105 /nfs/dbraw/zinc/92/71/05/383927105.db2.gz PRHNGNBRWUAIIK-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000158037584 326305745 /nfs/dbraw/zinc/30/57/45/326305745.db2.gz ZEDHDHHRFRASCR-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000158037862 326305627 /nfs/dbraw/zinc/30/56/27/326305627.db2.gz ZEDHDHHRFRASCR-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000158079958 385334972 /nfs/dbraw/zinc/33/49/72/385334972.db2.gz NKGXPEFMMNCFTH-NGZCFLSTSA-N 2 0 229.299 -0.068 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000158080260 385334420 /nfs/dbraw/zinc/33/44/20/385334420.db2.gz NKGXPEFMMNCFTH-QXEWZRGKSA-N 2 0 229.299 -0.068 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000158222052 487948170 /nfs/dbraw/zinc/94/81/70/487948170.db2.gz UTIUMVCFYCCTPU-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000158236105 487949903 /nfs/dbraw/zinc/94/99/03/487949903.db2.gz VCATYGCRRFHQPG-ZYHUDNBSSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000158236235 487949847 /nfs/dbraw/zinc/94/98/47/487949847.db2.gz VCATYGCRRFHQPG-PWSUYJOCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000158236363 487949834 /nfs/dbraw/zinc/94/98/34/487949834.db2.gz VCATYGCRRFHQPG-CMPLNLGQSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000158236505 487949877 /nfs/dbraw/zinc/94/98/77/487949877.db2.gz VCATYGCRRFHQPG-JQWIXIFHSA-N 2 0 243.351 -0.146 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158471971 398332683 /nfs/dbraw/zinc/33/26/83/398332683.db2.gz NALXRMJIMVYMFV-PWSUYJOCSA-N 2 0 223.320 -0.050 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158472112 398332680 /nfs/dbraw/zinc/33/26/80/398332680.db2.gz NALXRMJIMVYMFV-JQWIXIFHSA-N 2 0 223.320 -0.050 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158472271 398332704 /nfs/dbraw/zinc/33/27/04/398332704.db2.gz NALXRMJIMVYMFV-ZYHUDNBSSA-N 2 0 223.320 -0.050 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158472412 398332713 /nfs/dbraw/zinc/33/27/13/398332713.db2.gz NALXRMJIMVYMFV-CMPLNLGQSA-N 2 0 223.320 -0.050 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158472555 398332647 /nfs/dbraw/zinc/33/26/47/398332647.db2.gz CJIYGRKIISVRND-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158472690 398332681 /nfs/dbraw/zinc/33/26/81/398332681.db2.gz CJIYGRKIISVRND-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158528869 361201984 /nfs/dbraw/zinc/20/19/84/361201984.db2.gz KOORCHOBTFNSLO-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158529014 345345432 /nfs/dbraw/zinc/34/54/32/345345432.db2.gz KOORCHOBTFNSLO-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158530634 487964354 /nfs/dbraw/zinc/96/43/54/487964354.db2.gz LIFQPHRHZKMUQR-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158530785 487963993 /nfs/dbraw/zinc/96/39/93/487963993.db2.gz LIFQPHRHZKMUQR-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP O=C(NCCc1ncc[nH]1)[C@H]1CSCN1 ZINC000158550347 361203179 /nfs/dbraw/zinc/20/31/79/361203179.db2.gz ZWGVVDHZRHBFQO-SSDOTTSWSA-N 2 0 226.305 -0.269 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000158600040 361205257 /nfs/dbraw/zinc/20/52/57/361205257.db2.gz VQEJPXIYBZDYPB-WPRPVWTQSA-N 2 0 215.272 -0.362 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000158600200 361205667 /nfs/dbraw/zinc/20/56/67/361205667.db2.gz VQEJPXIYBZDYPB-SCZZXKLOSA-N 2 0 215.272 -0.362 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000158600330 361205061 /nfs/dbraw/zinc/20/50/61/361205061.db2.gz VQEJPXIYBZDYPB-WCBMZHEXSA-N 2 0 215.272 -0.362 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000158600441 361205013 /nfs/dbraw/zinc/20/50/13/361205013.db2.gz VQEJPXIYBZDYPB-PSASIEDQSA-N 2 0 215.272 -0.362 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000158634697 345358380 /nfs/dbraw/zinc/35/83/80/345358380.db2.gz JBBDVKMEKAIIPH-DCAQKATOSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000158634844 345358309 /nfs/dbraw/zinc/35/83/09/345358309.db2.gz JBBDVKMEKAIIPH-AXFHLTTASA-N 2 0 241.335 -0.392 20 0 BBADRP CC(C)(C[NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000158792953 344448406 /nfs/dbraw/zinc/44/84/06/344448406.db2.gz DENGQRYGUQSIPO-UHFFFAOYSA-N 2 0 242.367 -0.617 20 0 BBADRP C[C@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000159117834 326350137 /nfs/dbraw/zinc/35/01/37/326350137.db2.gz NDNKWDNJTSUJNM-ONGXEEELSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000159117958 326350046 /nfs/dbraw/zinc/35/00/46/326350046.db2.gz NDNKWDNJTSUJNM-GXSJLCMTSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@]1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000159118103 326350029 /nfs/dbraw/zinc/35/00/29/326350029.db2.gz NDNKWDNJTSUJNM-KOLCDFICSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@]1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000159118246 324137515 /nfs/dbraw/zinc/13/75/15/324137515.db2.gz NDNKWDNJTSUJNM-MWLCHTKSSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000159278096 345423409 /nfs/dbraw/zinc/42/34/09/345423409.db2.gz JVHTVHPDAIHYJK-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000159278229 361228726 /nfs/dbraw/zinc/22/87/26/361228726.db2.gz JVHTVHPDAIHYJK-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000159278366 345423890 /nfs/dbraw/zinc/42/38/90/345423890.db2.gz JVHTVHPDAIHYJK-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000159278505 345423875 /nfs/dbraw/zinc/42/38/75/345423875.db2.gz JVHTVHPDAIHYJK-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000159558931 345440902 /nfs/dbraw/zinc/44/09/02/345440902.db2.gz NPKZBBZCSYQQOS-LLVKDONJSA-N 2 0 241.335 -0.471 20 0 BBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000159559076 345440852 /nfs/dbraw/zinc/44/08/52/345440852.db2.gz NPKZBBZCSYQQOS-NSHDSACASA-N 2 0 241.335 -0.471 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000159603202 345446069 /nfs/dbraw/zinc/44/60/69/345446069.db2.gz DACGYYQHFBJECJ-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000159603308 345446073 /nfs/dbraw/zinc/44/60/73/345446073.db2.gz DACGYYQHFBJECJ-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000159742318 345504900 /nfs/dbraw/zinc/50/49/00/345504900.db2.gz MULLCERMIRZKGW-GHMZBOCLSA-N 2 0 241.335 -0.343 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159906949 134794634 /nfs/dbraw/zinc/79/46/34/134794634.db2.gz FEDLCPJNMJJRCE-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159907101 345638304 /nfs/dbraw/zinc/63/83/04/345638304.db2.gz FEDLCPJNMJJRCE-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159907267 345638658 /nfs/dbraw/zinc/63/86/58/345638658.db2.gz FEDLCPJNMJJRCE-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159907404 345638649 /nfs/dbraw/zinc/63/86/49/345638649.db2.gz FEDLCPJNMJJRCE-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000159913672 345644699 /nfs/dbraw/zinc/64/46/99/345644699.db2.gz PMQJEXUFWSWFCU-MNOVXSKESA-N 2 0 241.335 -0.343 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000159913796 345644487 /nfs/dbraw/zinc/64/44/87/345644487.db2.gz PMQJEXUFWSWFCU-GHMZBOCLSA-N 2 0 241.335 -0.343 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000159916396 345649146 /nfs/dbraw/zinc/64/91/46/345649146.db2.gz KODPXVQATUQRJE-QWRGUYRKSA-N 2 0 241.335 -0.343 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000159922915 345660591 /nfs/dbraw/zinc/66/05/91/345660591.db2.gz QQHYOMYIFJBBOL-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP CN(CCN1C(=O)CCC1=O)[C@H](C[NH3+])C1CC1 ZINC000159991720 345775241 /nfs/dbraw/zinc/77/52/41/345775241.db2.gz XDLAUVYVFICMGY-SNVBAGLBSA-N 2 0 239.319 -0.196 20 0 BBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000160268506 488120195 /nfs/dbraw/zinc/12/01/95/488120195.db2.gz JCZWFOODVOQJQL-GHMZBOCLSA-N 2 0 211.309 -0.194 20 0 BBADRP CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000160268627 488120554 /nfs/dbraw/zinc/12/05/54/488120554.db2.gz JCZWFOODVOQJQL-MNOVXSKESA-N 2 0 211.309 -0.194 20 0 BBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCC[NH3+] ZINC000160353866 343203498 /nfs/dbraw/zinc/20/34/98/343203498.db2.gz KQMZXJLAXJSEPM-SBMIAAHKSA-N 2 0 241.335 -0.406 20 0 BBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCC[NH3+] ZINC000160354101 343203521 /nfs/dbraw/zinc/20/35/21/343203521.db2.gz KQMZXJLAXJSEPM-LNLATYFQSA-N 2 0 241.335 -0.406 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000160615959 641151770 /nfs/dbraw/zinc/15/17/70/641151770.db2.gz HHSQDACWPIXKIZ-AEJSXWLSSA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160616074 635136324 /nfs/dbraw/zinc/13/63/24/635136324.db2.gz HHSQDACWPIXKIZ-BBBLOLIVSA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000160616195 641152031 /nfs/dbraw/zinc/15/20/31/641152031.db2.gz HHSQDACWPIXKIZ-GUBZILKMSA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000160616315 641151635 /nfs/dbraw/zinc/15/16/35/641151635.db2.gz HHSQDACWPIXKIZ-UTLUCORTSA-N 2 0 202.298 -0.337 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000161054048 487473545 /nfs/dbraw/zinc/47/35/45/487473545.db2.gz WZYZLUVPKZRHEA-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000161054185 487601105 /nfs/dbraw/zinc/60/11/05/487601105.db2.gz WZYZLUVPKZRHEA-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000161054303 487473786 /nfs/dbraw/zinc/47/37/86/487473786.db2.gz WZYZLUVPKZRHEA-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000161054427 487473839 /nfs/dbraw/zinc/47/38/39/487473839.db2.gz WZYZLUVPKZRHEA-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161060555 343204249 /nfs/dbraw/zinc/20/42/49/343204249.db2.gz RLXLHQWVJCBOOV-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161060673 343203896 /nfs/dbraw/zinc/20/38/96/343203896.db2.gz RLXLHQWVJCBOOV-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@@H](CNC(=O)COCC[NH3+])[NH+]1CCCC1 ZINC000161096090 487601075 /nfs/dbraw/zinc/60/10/75/487601075.db2.gz SAOCDQAIQORDIB-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP C[C@H](CNC(=O)COCC[NH3+])[NH+]1CCCC1 ZINC000161096215 487476090 /nfs/dbraw/zinc/47/60/90/487476090.db2.gz SAOCDQAIQORDIB-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000161612949 487506240 /nfs/dbraw/zinc/50/62/40/487506240.db2.gz KZXYWKVMSKJORU-BBBLOLIVSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000161613219 487604011 /nfs/dbraw/zinc/60/40/11/487604011.db2.gz KZXYWKVMSKJORU-UTLUCORTSA-N 2 0 227.308 -0.639 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000162006010 349534177 /nfs/dbraw/zinc/53/41/77/349534177.db2.gz QLCGNFJLJYENPT-AXFHLTTASA-N 2 0 243.351 -0.459 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000162006248 349533767 /nfs/dbraw/zinc/53/37/67/349533767.db2.gz QLCGNFJLJYENPT-HBNTYKKESA-N 2 0 243.351 -0.459 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000162006333 349533796 /nfs/dbraw/zinc/53/37/96/349533796.db2.gz QLCGNFJLJYENPT-GARJFASQSA-N 2 0 243.351 -0.459 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000162037828 487607408 /nfs/dbraw/zinc/60/74/08/487607408.db2.gz MKAWNXAAAXRWRT-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000162037947 490136686 /nfs/dbraw/zinc/13/66/86/490136686.db2.gz MKAWNXAAAXRWRT-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000162038050 490136672 /nfs/dbraw/zinc/13/66/72/490136672.db2.gz MKAWNXAAAXRWRT-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000162038164 490136810 /nfs/dbraw/zinc/13/68/10/490136810.db2.gz MKAWNXAAAXRWRT-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000162259610 487546644 /nfs/dbraw/zinc/54/66/44/487546644.db2.gz PFIXVKAELXPYLI-SNVBAGLBSA-N 2 0 242.367 -0.619 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162275930 387335289 /nfs/dbraw/zinc/33/52/89/387335289.db2.gz KPNUXACFGUPENN-NSHDSACASA-N 2 0 242.367 -0.572 20 0 BBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[NH3+])C1(C)C ZINC000162529001 323624026 /nfs/dbraw/zinc/62/40/26/323624026.db2.gz CAMMRPXPVDTWOL-KCJUWKMLSA-N 2 0 229.324 -0.406 20 0 BBADRP CN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000162619633 346530722 /nfs/dbraw/zinc/53/07/22/346530722.db2.gz HDPGPRHRBGJSII-WDEREUQCSA-N 2 0 240.351 -0.770 20 0 BBADRP CN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000162619769 346530701 /nfs/dbraw/zinc/53/07/01/346530701.db2.gz HDPGPRHRBGJSII-QWRGUYRKSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000162633276 487600934 /nfs/dbraw/zinc/60/09/34/487600934.db2.gz KBSNWCZYRFTLSO-UWVGGRQHSA-N 2 0 228.340 -0.962 20 0 BBADRP C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+](C)C ZINC000162633392 641690901 /nfs/dbraw/zinc/69/09/01/641690901.db2.gz KBSNWCZYRFTLSO-VHSXEESVSA-N 2 0 228.340 -0.962 20 0 BBADRP CN1CCN(C(=O)CC2([NH3+])CCC2)[C@H](C[NH3+])C1 ZINC000162637674 487601480 /nfs/dbraw/zinc/60/14/80/487601480.db2.gz FREYJHVFBVYVHG-SNVBAGLBSA-N 2 0 240.351 -0.641 20 0 BBADRP CN1CCN(C(=O)CC2([NH3+])CCC2)[C@@H](C[NH3+])C1 ZINC000162637816 487601597 /nfs/dbraw/zinc/60/15/97/487601597.db2.gz FREYJHVFBVYVHG-JTQLQIEISA-N 2 0 240.351 -0.641 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000162869792 324129077 /nfs/dbraw/zinc/12/90/77/324129077.db2.gz MCWBBTNZLURWRB-WDEREUQCSA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000162869905 324129019 /nfs/dbraw/zinc/12/90/19/324129019.db2.gz MCWBBTNZLURWRB-GHMZBOCLSA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000162870028 324129171 /nfs/dbraw/zinc/12/91/71/324129171.db2.gz MCWBBTNZLURWRB-QWRGUYRKSA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000162870150 324129141 /nfs/dbraw/zinc/12/91/41/324129141.db2.gz MCWBBTNZLURWRB-MNOVXSKESA-N 2 0 243.351 -0.001 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000163215984 173286644 /nfs/dbraw/zinc/28/66/44/173286644.db2.gz QISWTJLHLHZHNX-DTWKUNHWSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163216072 173286294 /nfs/dbraw/zinc/28/62/94/173286294.db2.gz QISWTJLHLHZHNX-RKDXNWHRSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000163216186 173286582 /nfs/dbraw/zinc/28/65/82/173286582.db2.gz QISWTJLHLHZHNX-IUCAKERBSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163216269 173286486 /nfs/dbraw/zinc/28/64/86/173286486.db2.gz QISWTJLHLHZHNX-BDAKNGLRSA-N 2 0 242.323 -0.499 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000163221852 384179860 /nfs/dbraw/zinc/17/98/60/384179860.db2.gz NDSZKJCPXVGBAG-VHSXEESVSA-N 2 0 239.319 -0.196 20 0 BBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000163222068 384179842 /nfs/dbraw/zinc/17/98/42/384179842.db2.gz NDSZKJCPXVGBAG-UWVGGRQHSA-N 2 0 239.319 -0.196 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000163222198 384180628 /nfs/dbraw/zinc/18/06/28/384180628.db2.gz NDSZKJCPXVGBAG-ZJUUUORDSA-N 2 0 239.319 -0.196 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000163255743 487705344 /nfs/dbraw/zinc/70/53/44/487705344.db2.gz KMCRRINMNTWVAZ-DCAQKATOSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000163255967 487705027 /nfs/dbraw/zinc/70/50/27/487705027.db2.gz KMCRRINMNTWVAZ-GARJFASQSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CCO1 ZINC000163273297 487706676 /nfs/dbraw/zinc/70/66/76/487706676.db2.gz FPJYRCLMHWFROE-UWVGGRQHSA-N 2 0 241.335 -0.168 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CCO1 ZINC000163273418 487706594 /nfs/dbraw/zinc/70/65/94/487706594.db2.gz FPJYRCLMHWFROE-ZJUUUORDSA-N 2 0 241.335 -0.168 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC2([NH3+])CCC2)CCO1 ZINC000163273520 487706705 /nfs/dbraw/zinc/70/67/05/487706705.db2.gz FPJYRCLMHWFROE-VHSXEESVSA-N 2 0 241.335 -0.168 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC2([NH3+])CCC2)CCO1 ZINC000163273618 487706505 /nfs/dbraw/zinc/70/65/05/487706505.db2.gz FPJYRCLMHWFROE-NXEZZACHSA-N 2 0 241.335 -0.168 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])CCSC ZINC000163620846 388365899 /nfs/dbraw/zinc/36/58/99/388365899.db2.gz LUYDCTXZIAYNTO-MRVPVSSYSA-N 2 0 219.354 -0.255 20 0 BBADRP Cc1cc(NC(=O)CN2CCNCC2=O)ccn1 ZINC000163662613 387852258 /nfs/dbraw/zinc/85/22/58/387852258.db2.gz FQWZYZGZEUSOFX-UHFFFAOYSA-N 2 0 248.286 -0.240 20 0 BBADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164403789 388378913 /nfs/dbraw/zinc/37/89/13/388378913.db2.gz YKLJCGUFSBHRLY-AEJSXWLSSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164405797 343207565 /nfs/dbraw/zinc/20/75/65/343207565.db2.gz XDCDLURVSQBQFA-RGOKHQFPSA-N 2 0 211.309 -0.081 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164512932 135387848 /nfs/dbraw/zinc/38/78/48/135387848.db2.gz IUIYOHCZPWGMOW-JTQLQIEISA-N 2 0 243.351 -0.464 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164513045 135387802 /nfs/dbraw/zinc/38/78/02/135387802.db2.gz IUIYOHCZPWGMOW-SNVBAGLBSA-N 2 0 243.351 -0.464 20 0 BBADRP C[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164641218 385190562 /nfs/dbraw/zinc/19/05/62/385190562.db2.gz RGZMICLXMJEDMB-ZJUUUORDSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164641334 385190321 /nfs/dbraw/zinc/19/03/21/385190321.db2.gz RGZMICLXMJEDMB-UWVGGRQHSA-N 2 0 213.325 -0.009 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@H](C)[NH3+] ZINC000165305388 361837836 /nfs/dbraw/zinc/83/78/36/361837836.db2.gz VADKFAKVTBNVGC-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@@H](C)[NH3+] ZINC000165305472 358435050 /nfs/dbraw/zinc/43/50/50/358435050.db2.gz VADKFAKVTBNVGC-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCC[N@H+](C)CCOC ZINC000165306369 353294473 /nfs/dbraw/zinc/29/44/73/353294473.db2.gz YDLQWDWFIJSHCW-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000165307571 353294803 /nfs/dbraw/zinc/29/48/03/353294803.db2.gz CFMVABSQLLVKRK-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000165307695 353294739 /nfs/dbraw/zinc/29/47/39/353294739.db2.gz CFMVABSQLLVKRK-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000165616771 361843491 /nfs/dbraw/zinc/84/34/91/361843491.db2.gz LKMRTNMGXLVBTK-DJLDLDEBSA-N 2 0 215.272 -0.445 20 0 BBADRP CO[C@H]1CCN(C(=O)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000165645416 326425369 /nfs/dbraw/zinc/42/53/69/326425369.db2.gz RERZOXZSPDRFRJ-ZJUUUORDSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@@H]1CCN(C(=O)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000165645537 326425384 /nfs/dbraw/zinc/42/53/84/326425384.db2.gz RERZOXZSPDRFRJ-NXEZZACHSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@H]1CCN(C(=O)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000165645665 326425337 /nfs/dbraw/zinc/42/53/37/326425337.db2.gz RERZOXZSPDRFRJ-UWVGGRQHSA-N 2 0 229.324 -0.487 20 0 BBADRP CC1(OCC(=O)N2CCC[NH2+]CC2)C[NH2+]C1 ZINC000165821962 488044331 /nfs/dbraw/zinc/04/43/31/488044331.db2.gz HTOIMYGHIFNLFN-UHFFFAOYSA-N 2 0 227.308 -0.813 20 0 BBADRP C[NH+](C)CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000165852462 487630655 /nfs/dbraw/zinc/63/06/55/487630655.db2.gz JXRHKGLWLCWPGF-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)[NH+](C)C ZINC000165853134 488046683 /nfs/dbraw/zinc/04/66/83/488046683.db2.gz MVSRTTQKZSMLRZ-VIFPVBQESA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)[NH+](C)C ZINC000165853253 488046474 /nfs/dbraw/zinc/04/64/74/488046474.db2.gz MVSRTTQKZSMLRZ-SECBINFHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000166219467 136310180 /nfs/dbraw/zinc/31/01/80/136310180.db2.gz BVBXATCPSFFJDR-NWDGAFQWSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000166219585 136309907 /nfs/dbraw/zinc/30/99/07/136309907.db2.gz BVBXATCPSFFJDR-VXGBXAGGSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000166219697 136310080 /nfs/dbraw/zinc/31/00/80/136310080.db2.gz BVBXATCPSFFJDR-RYUDHWBXSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000166219816 136310643 /nfs/dbraw/zinc/31/06/43/136310643.db2.gz BVBXATCPSFFJDR-NEPJUHHUSA-N 2 0 227.352 -0.012 20 0 BBADRP CC[N@H+](C)CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000166289165 387619329 /nfs/dbraw/zinc/61/93/29/387619329.db2.gz ZJPFWCPGIQAFJP-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP CC[N@H+](C)CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000166289287 203387955 /nfs/dbraw/zinc/38/79/55/203387955.db2.gz ZJPFWCPGIQAFJP-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[N@H+](C)CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000166289712 355354919 /nfs/dbraw/zinc/35/49/19/355354919.db2.gz CTPQZEBMVVPOES-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000166640468 206142834 /nfs/dbraw/zinc/14/28/34/206142834.db2.gz JOLRNYKQNMHJIV-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000166640609 206142799 /nfs/dbraw/zinc/14/27/99/206142799.db2.gz JOLRNYKQNMHJIV-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH3+] ZINC000167262370 136245194 /nfs/dbraw/zinc/24/51/94/136245194.db2.gz SWDXDUOQNUUFQE-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000167262470 136245068 /nfs/dbraw/zinc/24/50/68/136245068.db2.gz SWDXDUOQNUUFQE-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000167262573 136245273 /nfs/dbraw/zinc/24/52/73/136245273.db2.gz SWDXDUOQNUUFQE-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000167262678 136245249 /nfs/dbraw/zinc/24/52/49/136245249.db2.gz SWDXDUOQNUUFQE-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000167265399 136245090 /nfs/dbraw/zinc/24/50/90/136245090.db2.gz JRSIKNPPWMCPJI-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH3+] ZINC000167265509 136245200 /nfs/dbraw/zinc/24/52/00/136245200.db2.gz JRSIKNPPWMCPJI-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000167398647 361864665 /nfs/dbraw/zinc/86/46/65/361864665.db2.gz BNGIFLJKDIOPIK-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000167398757 361864281 /nfs/dbraw/zinc/86/42/81/361864281.db2.gz BNGIFLJKDIOPIK-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000167398848 361864222 /nfs/dbraw/zinc/86/42/22/361864222.db2.gz BNGIFLJKDIOPIK-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000167398955 411341129 /nfs/dbraw/zinc/34/11/29/411341129.db2.gz BNGIFLJKDIOPIK-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP CC[NH+]1CCC(NC[C@H](O)C[NH+](C)C)CC1 ZINC000167428949 385313094 /nfs/dbraw/zinc/31/30/94/385313094.db2.gz XRIMFGZPBUHSQE-LBPRGKRZSA-N 2 0 229.368 -0.017 20 0 BBADRP CC[NH+]1CCC(NC[C@@H](O)C[NH+](C)C)CC1 ZINC000167429068 355993627 /nfs/dbraw/zinc/99/36/27/355993627.db2.gz XRIMFGZPBUHSQE-GFCCVEGCSA-N 2 0 229.368 -0.017 20 0 BBADRP C[C@@H]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000167636753 134153196 /nfs/dbraw/zinc/15/31/96/134153196.db2.gz WQSZNFASNIPGPF-ZJUUUORDSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@H]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000167636868 134153194 /nfs/dbraw/zinc/15/31/94/134153194.db2.gz WQSZNFASNIPGPF-UWVGGRQHSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@@H]1CCN(C(=O)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000167636965 134153468 /nfs/dbraw/zinc/15/34/68/134153468.db2.gz WQSZNFASNIPGPF-NXEZZACHSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@H]1CCN(C(=O)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000167637076 134153433 /nfs/dbraw/zinc/15/34/33/134153433.db2.gz WQSZNFASNIPGPF-VHSXEESVSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000167658745 487855382 /nfs/dbraw/zinc/85/53/82/487855382.db2.gz VZXIKXFEZRUADD-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[NH+](CC)CCN(CCOC)C(=O)C[NH3+] ZINC000167674473 134153911 /nfs/dbraw/zinc/15/39/11/134153911.db2.gz XMLUGMZVBZSXSC-UHFFFAOYSA-N 2 0 231.340 -0.238 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167678931 636264757 /nfs/dbraw/zinc/26/47/57/636264757.db2.gz XCAJHMOZGXTPEU-VWYCJHECSA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167679022 633132059 /nfs/dbraw/zinc/13/20/59/633132059.db2.gz XCAJHMOZGXTPEU-DCAQKATOSA-N 2 0 216.325 -0.090 20 0 BBADRP CN(C(=O)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000167737501 491114939 /nfs/dbraw/zinc/11/49/39/491114939.db2.gz WFPPVIUWEHBIJX-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)C[NH+](C)C ZINC000167987124 134155474 /nfs/dbraw/zinc/15/54/74/134155474.db2.gz DYMUDIOXYMZQHZ-UHFFFAOYSA-N 2 0 201.314 -0.009 20 0 BBADRP C[C@@H](O)CN1CCN(C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000167989797 206146851 /nfs/dbraw/zinc/14/68/51/206146851.db2.gz WPAWSKXKDLLDRA-BBBLOLIVSA-N 2 0 229.324 -0.753 20 0 BBADRP C[C@@H](O)CN1CCN(C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000167989914 206148494 /nfs/dbraw/zinc/14/84/94/206148494.db2.gz WPAWSKXKDLLDRA-AEJSXWLSSA-N 2 0 229.324 -0.753 20 0 BBADRP C[NH+](C)CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000167990266 343209833 /nfs/dbraw/zinc/20/98/33/343209833.db2.gz PGFKGLDCWXTHGR-UHFFFAOYSA-N 2 0 243.351 -0.096 20 0 BBADRP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CCN1C[C@@H](C)O ZINC000168004319 206148129 /nfs/dbraw/zinc/14/81/29/206148129.db2.gz UZOKTDCYTDRKFH-MXWKQRLJSA-N 2 0 243.351 -0.363 20 0 BBADRP CC[C@H]1CN(C(=O)[C@H](C)[NH3+])CCN1C[C@@H](C)O ZINC000168009703 206147356 /nfs/dbraw/zinc/14/73/56/206147356.db2.gz UZOKTDCYTDRKFH-VWYCJHECSA-N 2 0 243.351 -0.363 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000168546254 343210394 /nfs/dbraw/zinc/21/03/94/343210394.db2.gz JMESBQCHNRXUFO-IVZWLZJFSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000168546456 343210441 /nfs/dbraw/zinc/21/04/41/343210441.db2.gz JMESBQCHNRXUFO-LPEHRKFASA-N 2 0 211.309 -0.114 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000168727017 398341703 /nfs/dbraw/zinc/34/17/03/398341703.db2.gz XNTCODNJIGXGDY-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH+](C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000168746760 487539392 /nfs/dbraw/zinc/53/93/92/487539392.db2.gz OGLYGYWTFGZVKR-UHFFFAOYSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCCN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000168761308 487540324 /nfs/dbraw/zinc/54/03/24/487540324.db2.gz RTDBBGFIOAQQIR-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000168965709 640834263 /nfs/dbraw/zinc/83/42/63/640834263.db2.gz OTNZXJZQLCYFCB-BBBLOLIVSA-N 2 0 202.298 -0.195 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168965796 632514865 /nfs/dbraw/zinc/51/48/65/632514865.db2.gz OTNZXJZQLCYFCB-AEJSXWLSSA-N 2 0 202.298 -0.195 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000168965887 640833831 /nfs/dbraw/zinc/83/38/31/640833831.db2.gz OTNZXJZQLCYFCB-UTLUCORTSA-N 2 0 202.298 -0.195 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000168965991 640834561 /nfs/dbraw/zinc/83/45/61/640834561.db2.gz OTNZXJZQLCYFCB-GUBZILKMSA-N 2 0 202.298 -0.195 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000169141827 487560644 /nfs/dbraw/zinc/56/06/44/487560644.db2.gz OUGAAOUHWGJUJY-IUCAKERBSA-N 2 0 215.297 -0.877 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000169141894 488171957 /nfs/dbraw/zinc/17/19/57/488171957.db2.gz OUGAAOUHWGJUJY-BDAKNGLRSA-N 2 0 215.297 -0.877 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000169141964 487560335 /nfs/dbraw/zinc/56/03/35/487560335.db2.gz OUGAAOUHWGJUJY-DTWKUNHWSA-N 2 0 215.297 -0.877 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000169142030 487560559 /nfs/dbraw/zinc/56/05/59/487560559.db2.gz OUGAAOUHWGJUJY-RKDXNWHRSA-N 2 0 215.297 -0.877 20 0 BBADRP [NH3+]CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000169152349 343211032 /nfs/dbraw/zinc/21/10/32/343211032.db2.gz AEQICTIOJFVMFG-UHFFFAOYSA-N 2 0 205.261 -0.022 20 0 BBADRP CN(CCN1CCOCC1)C(=O)C[NH+](C)C ZINC000170763678 346445927 /nfs/dbraw/zinc/44/59/27/346445927.db2.gz NBQZGYWGWKGWTJ-UHFFFAOYSA-N 2 0 229.324 -0.661 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000170786920 134253948 /nfs/dbraw/zinc/25/39/48/134253948.db2.gz IZRVJQNBDFHAHR-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)C[NH+](C)C ZINC000171375490 372563484 /nfs/dbraw/zinc/56/34/84/372563484.db2.gz MHOVEQKTMSFLCS-UHFFFAOYSA-N 2 0 231.340 -0.368 20 0 BBADRP COCC[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000171397096 372568272 /nfs/dbraw/zinc/56/82/72/372568272.db2.gz FRJMLRVZEHGUNW-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)C[NH+](C)C ZINC000173546555 536500720 /nfs/dbraw/zinc/50/07/20/536500720.db2.gz PTNVEYRVCPOOMA-UHFFFAOYSA-N 2 0 231.340 -0.368 20 0 BBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721073 134283147 /nfs/dbraw/zinc/28/31/47/134283147.db2.gz MOAKTYBHSZZRLQ-NSHDSACASA-N 2 0 242.367 -0.571 20 0 BBADRP C[C@H](C(N)=O)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721084 134283114 /nfs/dbraw/zinc/28/31/14/134283114.db2.gz MOAKTYBHSZZRLQ-LLVKDONJSA-N 2 0 242.367 -0.571 20 0 BBADRP C[NH2+]CCCC(=O)NCCCN1CC[NH2+]CC1 ZINC000178334042 323216291 /nfs/dbraw/zinc/21/62/91/323216291.db2.gz WUDRBGPMEODWJL-UHFFFAOYSA-N 2 0 242.367 -0.603 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000178388735 134309049 /nfs/dbraw/zinc/30/90/49/134309049.db2.gz CDOAYGVBWNASBL-NXEZZACHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000178388749 134309076 /nfs/dbraw/zinc/30/90/76/134309076.db2.gz CDOAYGVBWNASBL-VHSXEESVSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000178406271 134310256 /nfs/dbraw/zinc/31/02/56/134310256.db2.gz UHDYZJJMAXLGSA-UWVGGRQHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000178406282 134309968 /nfs/dbraw/zinc/30/99/68/134309968.db2.gz UHDYZJJMAXLGSA-VHSXEESVSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000178406294 136274726 /nfs/dbraw/zinc/27/47/26/136274726.db2.gz UHDYZJJMAXLGSA-ZJUUUORDSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000178406303 134310320 /nfs/dbraw/zinc/31/03/20/134310320.db2.gz UHDYZJJMAXLGSA-NXEZZACHSA-N 2 0 211.309 -0.003 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178406417 366122276 /nfs/dbraw/zinc/12/22/76/366122276.db2.gz HWEMZFIUNUDGLU-IUCAKERBSA-N 2 0 231.365 -0.065 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178406424 366122021 /nfs/dbraw/zinc/12/20/21/366122021.db2.gz HWEMZFIUNUDGLU-BDAKNGLRSA-N 2 0 231.365 -0.065 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000178406761 134310174 /nfs/dbraw/zinc/31/01/74/134310174.db2.gz SBKXALNUAJJRNT-ZJUUUORDSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000178406782 134310126 /nfs/dbraw/zinc/31/01/26/134310126.db2.gz SBKXALNUAJJRNT-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178406819 366121759 /nfs/dbraw/zinc/12/17/59/366121759.db2.gz HWEMZFIUNUDGLU-DTWKUNHWSA-N 2 0 231.365 -0.065 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178406832 366122147 /nfs/dbraw/zinc/12/21/47/366122147.db2.gz HWEMZFIUNUDGLU-RKDXNWHRSA-N 2 0 231.365 -0.065 20 0 BBADRP CN(C(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000178409173 136274483 /nfs/dbraw/zinc/27/44/83/136274483.db2.gz YYJIATCPAOWCGK-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)[C@@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000178409184 134310216 /nfs/dbraw/zinc/31/02/16/134310216.db2.gz YYJIATCPAOWCGK-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)[C@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000178409195 536062230 /nfs/dbraw/zinc/06/22/30/536062230.db2.gz YYJIATCPAOWCGK-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)[C@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000178409205 536062001 /nfs/dbraw/zinc/06/20/01/536062001.db2.gz YYJIATCPAOWCGK-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000178409595 366122406 /nfs/dbraw/zinc/12/24/06/366122406.db2.gz IECHKGZATPBDHU-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000178409606 366122687 /nfs/dbraw/zinc/12/26/87/366122687.db2.gz IECHKGZATPBDHU-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP CC(C)([NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000178449704 384398589 /nfs/dbraw/zinc/39/85/89/384398589.db2.gz XSFKSZGWSCVBAZ-UHFFFAOYSA-N 2 0 228.340 -0.865 20 0 BBADRP O=C(NCC[NH+]1CCCC1)[C@]1(F)CC[NH2+]C1 ZINC000178665967 635649895 /nfs/dbraw/zinc/64/98/95/635649895.db2.gz UMURGBBJYCXZBL-NSHDSACASA-N 2 0 229.299 -0.100 20 0 BBADRP O=C(NCC[NH+]1CCCC1)[C@@]1(F)CC[NH2+]C1 ZINC000178665978 635649194 /nfs/dbraw/zinc/64/91/94/635649194.db2.gz UMURGBBJYCXZBL-LLVKDONJSA-N 2 0 229.299 -0.100 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000178703109 134313071 /nfs/dbraw/zinc/31/30/71/134313071.db2.gz BCCYTXYXIHNNPA-CBAPKCEASA-N 2 0 203.261 -0.459 20 0 BBADRP C[C@@H]([NH3+])CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000178703121 134313289 /nfs/dbraw/zinc/31/32/89/134313289.db2.gz BCCYTXYXIHNNPA-APPZFPTMSA-N 2 0 203.261 -0.459 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178703134 134313331 /nfs/dbraw/zinc/31/33/31/134313331.db2.gz BCCYTXYXIHNNPA-IONNQARKSA-N 2 0 203.261 -0.459 20 0 BBADRP C[C@@H]([NH3+])CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178703148 134313266 /nfs/dbraw/zinc/31/32/66/134313266.db2.gz BCCYTXYXIHNNPA-VXNVDRBHSA-N 2 0 203.261 -0.459 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178722887 487848986 /nfs/dbraw/zinc/84/89/86/487848986.db2.gz CFKXEFWWCQFJNB-LPEHRKFASA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000178744128 346711894 /nfs/dbraw/zinc/71/18/94/346711894.db2.gz BJQBOHUQVCWQHL-DTWKUNHWSA-N 2 0 231.365 -0.065 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000178744141 346711738 /nfs/dbraw/zinc/71/17/38/346711738.db2.gz BJQBOHUQVCWQHL-IUCAKERBSA-N 2 0 231.365 -0.065 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000178744175 345917708 /nfs/dbraw/zinc/91/77/08/345917708.db2.gz CDIIXWPCZICMGO-NXEZZACHSA-N 2 0 243.376 -0.050 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000178744186 345917881 /nfs/dbraw/zinc/91/78/81/345917881.db2.gz CDIIXWPCZICMGO-VHSXEESVSA-N 2 0 243.376 -0.050 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000178744196 345917774 /nfs/dbraw/zinc/91/77/74/345917774.db2.gz CDIIXWPCZICMGO-ZJUUUORDSA-N 2 0 243.376 -0.050 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000178744205 345917592 /nfs/dbraw/zinc/91/75/92/345917592.db2.gz CDIIXWPCZICMGO-UWVGGRQHSA-N 2 0 243.376 -0.050 20 0 BBADRP CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000178744293 386601602 /nfs/dbraw/zinc/60/16/02/386601602.db2.gz FMEWDBFLVMFCIX-NXEZZACHSA-N 2 0 243.376 -0.098 20 0 BBADRP CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000178744299 386602338 /nfs/dbraw/zinc/60/23/38/386602338.db2.gz FMEWDBFLVMFCIX-ZJUUUORDSA-N 2 0 243.376 -0.098 20 0 BBADRP CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000178744313 386602717 /nfs/dbraw/zinc/60/27/17/386602717.db2.gz FMEWDBFLVMFCIX-VHSXEESVSA-N 2 0 243.376 -0.098 20 0 BBADRP CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000178744324 386602824 /nfs/dbraw/zinc/60/28/24/386602824.db2.gz FMEWDBFLVMFCIX-UWVGGRQHSA-N 2 0 243.376 -0.098 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC[C@H]1CCC[NH2+]1 ZINC000178758895 385322920 /nfs/dbraw/zinc/32/29/20/385322920.db2.gz KYEOVTKPGBMZGI-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1CCC[NH2+]1 ZINC000178758906 384503349 /nfs/dbraw/zinc/50/33/49/384503349.db2.gz KYEOVTKPGBMZGI-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000178779789 366163082 /nfs/dbraw/zinc/16/30/82/366163082.db2.gz DOMKQKHAXCOONI-ZJUUUORDSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000178779798 366162742 /nfs/dbraw/zinc/16/27/42/366162742.db2.gz DOMKQKHAXCOONI-UWVGGRQHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000178779806 366162427 /nfs/dbraw/zinc/16/24/27/366162427.db2.gz DOMKQKHAXCOONI-NXEZZACHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000178779817 366163050 /nfs/dbraw/zinc/16/30/50/366163050.db2.gz DOMKQKHAXCOONI-VHSXEESVSA-N 2 0 211.309 -0.003 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178782887 346713304 /nfs/dbraw/zinc/71/33/04/346713304.db2.gz KGCUGQCPJLLJKE-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178782899 366164255 /nfs/dbraw/zinc/16/42/55/366164255.db2.gz KGCUGQCPJLLJKE-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000178792174 134311319 /nfs/dbraw/zinc/31/13/19/134311319.db2.gz FTLQLDJKFJLNSX-SCZZXKLOSA-N 2 0 215.272 -0.444 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000178792187 134311355 /nfs/dbraw/zinc/31/13/55/134311355.db2.gz FTLQLDJKFJLNSX-WPRPVWTQSA-N 2 0 215.272 -0.444 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000178792200 134311388 /nfs/dbraw/zinc/31/13/88/134311388.db2.gz FTLQLDJKFJLNSX-PSASIEDQSA-N 2 0 215.272 -0.444 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000178792213 134311241 /nfs/dbraw/zinc/31/12/41/134311241.db2.gz FTLQLDJKFJLNSX-WCBMZHEXSA-N 2 0 215.272 -0.444 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCC[N@H+](C)CCCOC ZINC000178811343 134315003 /nfs/dbraw/zinc/31/50/03/134315003.db2.gz AQXRUBGURHOITE-NSHDSACASA-N 2 0 245.367 -0.074 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+](C)CCCOC ZINC000178811347 134315682 /nfs/dbraw/zinc/31/56/82/134315682.db2.gz AQXRUBGURHOITE-LLVKDONJSA-N 2 0 245.367 -0.074 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@H](C)[NH3+] ZINC000178811371 536506679 /nfs/dbraw/zinc/50/66/79/536506679.db2.gz DABQNNPIVTYYMJ-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[NH2+]C ZINC000178841530 134315535 /nfs/dbraw/zinc/31/55/35/134315535.db2.gz GLEJXRDKWLYOOZ-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[NH2+]C ZINC000178841538 134315466 /nfs/dbraw/zinc/31/54/66/134315466.db2.gz GLEJXRDKWLYOOZ-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)[NH3+] ZINC000178841668 134315871 /nfs/dbraw/zinc/31/58/71/134315871.db2.gz ORICQVCKDNGRDC-UWVGGRQHSA-N 2 0 231.340 -0.193 20 0 BBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)[NH3+] ZINC000178841673 134315499 /nfs/dbraw/zinc/31/54/99/134315499.db2.gz ORICQVCKDNGRDC-VHSXEESVSA-N 2 0 231.340 -0.193 20 0 BBADRP CCCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000178927063 535231222 /nfs/dbraw/zinc/23/12/22/535231222.db2.gz XRUNCMJBJUZLSR-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP CCCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000178927071 535231330 /nfs/dbraw/zinc/23/13/30/535231330.db2.gz XRUNCMJBJUZLSR-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP CCCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000178927081 535236719 /nfs/dbraw/zinc/23/67/19/535236719.db2.gz XRUNCMJBJUZLSR-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP CCCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000178927087 535237650 /nfs/dbraw/zinc/23/76/50/535237650.db2.gz XRUNCMJBJUZLSR-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP CCCN(C(=O)C[NH2+]CCOC)[C@@H]1CC[NH2+]C1 ZINC000178929280 535205545 /nfs/dbraw/zinc/20/55/45/535205545.db2.gz IEOYCNDEMNGWTQ-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CCCN(C(=O)C[NH2+]CCOC)[C@H]1CC[NH2+]C1 ZINC000178929294 535205733 /nfs/dbraw/zinc/20/57/33/535205733.db2.gz IEOYCNDEMNGWTQ-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000178960610 134313627 /nfs/dbraw/zinc/31/36/27/134313627.db2.gz GQJNQVQAEGYBIZ-ONGXEEELSA-N 2 0 229.299 -0.196 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000178960617 134313549 /nfs/dbraw/zinc/31/35/49/134313549.db2.gz GQJNQVQAEGYBIZ-KOLCDFICSA-N 2 0 229.299 -0.196 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000178960627 134313665 /nfs/dbraw/zinc/31/36/65/134313665.db2.gz GQJNQVQAEGYBIZ-GXSJLCMTSA-N 2 0 229.299 -0.196 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000178960638 134313836 /nfs/dbraw/zinc/31/38/36/134313836.db2.gz GQJNQVQAEGYBIZ-MWLCHTKSSA-N 2 0 229.299 -0.196 20 0 BBADRP CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000179052438 488195600 /nfs/dbraw/zinc/19/56/00/488195600.db2.gz YMSGFMFDWBRXJR-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000179052447 488166283 /nfs/dbraw/zinc/16/62/83/488166283.db2.gz YMSGFMFDWBRXJR-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)C[NH2+]CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000179091570 386617770 /nfs/dbraw/zinc/61/77/70/386617770.db2.gz PCJDCPGTOXJTKG-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)C[NH2+]CC1CC1)[C@H]1CC[NH2+]C1 ZINC000179091583 323078456 /nfs/dbraw/zinc/07/84/56/323078456.db2.gz PCJDCPGTOXJTKG-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP CCN1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000179094196 134314706 /nfs/dbraw/zinc/31/47/06/134314706.db2.gz NBJQVRXKLHTKIQ-MNOVXSKESA-N 2 0 241.335 -0.473 20 0 BBADRP CCN1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000179094206 134314502 /nfs/dbraw/zinc/31/45/02/134314502.db2.gz NBJQVRXKLHTKIQ-GHMZBOCLSA-N 2 0 241.335 -0.473 20 0 BBADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000179113260 385365277 /nfs/dbraw/zinc/36/52/77/385365277.db2.gz CCJKBWZYFZVMTD-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000179113268 384586406 /nfs/dbraw/zinc/58/64/06/384586406.db2.gz CCJKBWZYFZVMTD-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)C[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000179113277 385364668 /nfs/dbraw/zinc/36/46/68/385364668.db2.gz CCJKBWZYFZVMTD-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)C[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000179113288 385364984 /nfs/dbraw/zinc/36/49/84/385364984.db2.gz CCJKBWZYFZVMTD-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179116370 366207289 /nfs/dbraw/zinc/20/72/89/366207289.db2.gz VESZODDPHRMJEZ-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP COCC[NH2+]CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179116379 366206141 /nfs/dbraw/zinc/20/61/41/366206141.db2.gz VESZODDPHRMJEZ-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000179125443 134317526 /nfs/dbraw/zinc/31/75/26/134317526.db2.gz YLJXAEJWEFRDLR-SCZZXKLOSA-N 2 0 215.272 -0.492 20 0 BBADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000179125455 134317532 /nfs/dbraw/zinc/31/75/32/134317532.db2.gz YLJXAEJWEFRDLR-WPRPVWTQSA-N 2 0 215.272 -0.492 20 0 BBADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000179125468 134317460 /nfs/dbraw/zinc/31/74/60/134317460.db2.gz YLJXAEJWEFRDLR-PSASIEDQSA-N 2 0 215.272 -0.492 20 0 BBADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000179125479 134317761 /nfs/dbraw/zinc/31/77/61/134317761.db2.gz YLJXAEJWEFRDLR-WCBMZHEXSA-N 2 0 215.272 -0.492 20 0 BBADRP CNC(=O)CC[N@H+](C)CCn1ccnc1 ZINC000179194349 173247227 /nfs/dbraw/zinc/24/72/27/173247227.db2.gz PPIXNIUQNVMWGK-UHFFFAOYSA-N 2 0 210.281 -0.049 20 0 BBADRP COCC[NH2+]CCNC(=O)CC(C)(C)[NH3+] ZINC000179387945 385374077 /nfs/dbraw/zinc/37/40/77/385374077.db2.gz FBPKRMOENSXKKV-UHFFFAOYSA-N 2 0 217.313 -0.534 20 0 BBADRP COCC[NH2+]CCNC(=O)C1([NH3+])CCCC1 ZINC000179390295 488214778 /nfs/dbraw/zinc/21/47/78/488214778.db2.gz LJPYHNRRNBJZLM-UHFFFAOYSA-N 2 0 229.324 -0.390 20 0 BBADRP CNC(=O)[C@@H]1CN(CCn2ccnc2)CCO1 ZINC000180246922 173299894 /nfs/dbraw/zinc/29/98/94/173299894.db2.gz QRJCELITZWVAKG-JTQLQIEISA-N 2 0 238.291 -0.670 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000181015196 174332481 /nfs/dbraw/zinc/33/24/81/174332481.db2.gz DAWMYSGUZSSSNX-GFCCVEGCSA-N 2 0 243.351 -0.129 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000181015214 174333152 /nfs/dbraw/zinc/33/31/52/174333152.db2.gz DAWMYSGUZSSSNX-LBPRGKRZSA-N 2 0 243.351 -0.129 20 0 BBADRP CCC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000182199841 169501278 /nfs/dbraw/zinc/50/12/78/169501278.db2.gz PQGIJXDVZFLOOG-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000182199858 169387938 /nfs/dbraw/zinc/38/79/38/169387938.db2.gz PQGIJXDVZFLOOG-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000182199876 386396474 /nfs/dbraw/zinc/39/64/74/386396474.db2.gz PQGIJXDVZFLOOG-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000182199892 169388145 /nfs/dbraw/zinc/38/81/45/169388145.db2.gz PQGIJXDVZFLOOG-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000182200050 188222679 /nfs/dbraw/zinc/22/26/79/188222679.db2.gz RNOMCUFICWGRAH-MNOVXSKESA-N 2 0 243.351 -0.241 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000182200072 386396888 /nfs/dbraw/zinc/39/68/88/386396888.db2.gz RNOMCUFICWGRAH-QWRGUYRKSA-N 2 0 243.351 -0.241 20 0 BBADRP O=C1CN(CCCn2ccnc2)CCN1 ZINC000182616614 385687914 /nfs/dbraw/zinc/68/79/14/385687914.db2.gz SDBTVTNVALRTAP-UHFFFAOYSA-N 2 0 208.265 -0.295 20 0 BBADRP CC1(CNC(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000183343572 134350984 /nfs/dbraw/zinc/35/09/84/134350984.db2.gz FAMUOUNGVYLBCY-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP CC1(CNC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000183343591 535147897 /nfs/dbraw/zinc/14/78/97/535147897.db2.gz FAMUOUNGVYLBCY-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP COCC[NH2+]CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000183379965 367018549 /nfs/dbraw/zinc/01/85/49/367018549.db2.gz XOZLDIDRJQWRDO-UHFFFAOYSA-N 2 0 243.351 -0.272 20 0 BBADRP CC[NH+](CC)CC(=O)NCC[N@H+](CC)CCO ZINC000183930961 388572072 /nfs/dbraw/zinc/57/20/72/388572072.db2.gz ABJPITXNKRUVTM-UHFFFAOYSA-N 2 0 245.367 -0.241 20 0 BBADRP CC[C@@H](C(=O)NCC[N@H+](CC)CCO)[NH+](C)C ZINC000183966478 388573586 /nfs/dbraw/zinc/57/35/86/388573586.db2.gz ZGVOPOIGLMDLTN-NSHDSACASA-N 2 0 245.367 -0.243 20 0 BBADRP CC[C@H](C(=O)NCC[N@H+](CC)CCO)[NH+](C)C ZINC000183966495 388573427 /nfs/dbraw/zinc/57/34/27/388573427.db2.gz ZGVOPOIGLMDLTN-LLVKDONJSA-N 2 0 245.367 -0.243 20 0 BBADRP [NH3+]CCN(Cc1ccccc1)C(=O)C[NH3+] ZINC000184183001 487646534 /nfs/dbraw/zinc/64/65/34/487646534.db2.gz CVKWXWNZGTYJRJ-UHFFFAOYSA-N 2 0 207.277 -0.067 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000184975963 398054684 /nfs/dbraw/zinc/05/46/84/398054684.db2.gz SXJWKKOBJHXHJM-QCLAVDOMSA-N 2 0 211.309 -0.081 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@@H]1CO ZINC000185135864 536370438 /nfs/dbraw/zinc/37/04/38/536370438.db2.gz WPEVFRWODQXXJN-IJLUTSLNSA-N 2 0 228.336 -0.102 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@@H]12 ZINC000185154932 134372237 /nfs/dbraw/zinc/37/22/37/134372237.db2.gz FHYDGLSUFVSYJO-ZDCRXTMVSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@@H]12 ZINC000185154946 134372534 /nfs/dbraw/zinc/37/25/34/134372534.db2.gz FHYDGLSUFVSYJO-DBIOUOCHSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000185386666 134377158 /nfs/dbraw/zinc/37/71/58/134377158.db2.gz UFXYGCAYEQPWPC-UTLUCORTSA-N 2 0 227.308 -0.639 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000186306999 387089323 /nfs/dbraw/zinc/08/93/23/387089323.db2.gz FMSJEZCNWXKESV-NSHDSACASA-N 2 0 227.283 -0.276 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000186307023 387088114 /nfs/dbraw/zinc/08/81/14/387088114.db2.gz FMSJEZCNWXKESV-LLVKDONJSA-N 2 0 227.283 -0.276 20 0 BBADRP C[NH2+]CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186527614 385767860 /nfs/dbraw/zinc/76/78/60/385767860.db2.gz ODEANYAHONEKEA-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186527632 385768305 /nfs/dbraw/zinc/76/83/05/385768305.db2.gz ODEANYAHONEKEA-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)C[C@H]1CO ZINC000186542993 173052613 /nfs/dbraw/zinc/05/26/13/173052613.db2.gz WPEVFRWODQXXJN-SRVKXCTJSA-N 2 0 228.336 -0.102 20 0 BBADRP CC[N@H+](CCO)CCNC1CC[NH+](C)CC1 ZINC000186578509 398069231 /nfs/dbraw/zinc/06/92/31/398069231.db2.gz MSCPYBLMFUNIIK-UHFFFAOYSA-N 2 0 229.368 -0.016 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000186659949 346524865 /nfs/dbraw/zinc/52/48/65/346524865.db2.gz NAQHSISDWQMWGZ-SCZZXKLOSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000186659964 346525276 /nfs/dbraw/zinc/52/52/76/346525276.db2.gz NAQHSISDWQMWGZ-WPRPVWTQSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000186659980 346525143 /nfs/dbraw/zinc/52/51/43/346525143.db2.gz NAQHSISDWQMWGZ-PSASIEDQSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000186659997 346524898 /nfs/dbraw/zinc/52/48/98/346524898.db2.gz NAQHSISDWQMWGZ-WCBMZHEXSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000186718851 387129151 /nfs/dbraw/zinc/12/91/51/387129151.db2.gz HYLQVQXXDYYOGW-YWVKMMECSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000186718881 387129370 /nfs/dbraw/zinc/12/93/70/387129370.db2.gz HYLQVQXXDYYOGW-KKZNHRDASA-N 2 0 229.299 -0.198 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186752630 346536343 /nfs/dbraw/zinc/53/63/43/346536343.db2.gz XVYMYDODCRMZRK-UTLUCORTSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186752642 346536038 /nfs/dbraw/zinc/53/60/38/346536038.db2.gz XVYMYDODCRMZRK-GUBZILKMSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186752658 346536569 /nfs/dbraw/zinc/53/65/69/346536569.db2.gz XVYMYDODCRMZRK-KXUCPTDWSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186752670 346536407 /nfs/dbraw/zinc/53/64/07/346536407.db2.gz XVYMYDODCRMZRK-LPEHRKFASA-N 2 0 213.325 -0.044 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186812268 346538581 /nfs/dbraw/zinc/53/85/81/346538581.db2.gz JAIIXWUQAZKIBO-ZJUUUORDSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186812284 346538562 /nfs/dbraw/zinc/53/85/62/346538562.db2.gz JAIIXWUQAZKIBO-UWVGGRQHSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186812301 346538576 /nfs/dbraw/zinc/53/85/76/346538576.db2.gz JAIIXWUQAZKIBO-NXEZZACHSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186812314 346538556 /nfs/dbraw/zinc/53/85/56/346538556.db2.gz JAIIXWUQAZKIBO-VHSXEESVSA-N 2 0 229.324 -0.663 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000186812507 176185287 /nfs/dbraw/zinc/18/52/87/176185287.db2.gz FNUCDJWATHNCIF-UTLUCORTSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000186812525 177174543 /nfs/dbraw/zinc/17/45/43/177174543.db2.gz FNUCDJWATHNCIF-GUBZILKMSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000186812539 176186295 /nfs/dbraw/zinc/18/62/95/176186295.db2.gz FNUCDJWATHNCIF-KXUCPTDWSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000186812554 177175218 /nfs/dbraw/zinc/17/52/18/177175218.db2.gz FNUCDJWATHNCIF-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000186902720 385811990 /nfs/dbraw/zinc/81/19/90/385811990.db2.gz KVCMZMDKMXUQOY-AEJSXWLSSA-N 2 0 211.309 -0.256 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000186902754 385812258 /nfs/dbraw/zinc/81/22/58/385812258.db2.gz KVCMZMDKMXUQOY-IVZWLZJFSA-N 2 0 211.309 -0.256 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000187170790 346559394 /nfs/dbraw/zinc/55/93/94/346559394.db2.gz CAAFBHPTEUSXSB-UHFFFAOYSA-N 2 0 249.318 -0.701 20 0 BBADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000187170867 384262552 /nfs/dbraw/zinc/26/25/52/384262552.db2.gz HGENQIGINMUKNG-SSDOTTSWSA-N 2 0 206.249 -0.245 20 0 BBADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000187170887 386483848 /nfs/dbraw/zinc/48/38/48/386483848.db2.gz HGENQIGINMUKNG-ZETCQYMHSA-N 2 0 206.249 -0.245 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000187171567 387172190 /nfs/dbraw/zinc/17/21/90/387172190.db2.gz ZPJGMHNWXCMEOF-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000187171587 387173522 /nfs/dbraw/zinc/17/35/22/387173522.db2.gz ZPJGMHNWXCMEOF-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000187177544 387172544 /nfs/dbraw/zinc/17/25/44/387172544.db2.gz QLVOHZDSTLYADI-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000187177557 387173399 /nfs/dbraw/zinc/17/33/99/387173399.db2.gz QLVOHZDSTLYADI-WDEREUQCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000187177996 386487859 /nfs/dbraw/zinc/48/78/59/386487859.db2.gz SEEUWFVWIVPCOJ-KXUCPTDWSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000187178017 386487894 /nfs/dbraw/zinc/48/78/94/386487894.db2.gz SEEUWFVWIVPCOJ-LPEHRKFASA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000187178032 386486656 /nfs/dbraw/zinc/48/66/56/386486656.db2.gz SEEUWFVWIVPCOJ-OPRDCNLKSA-N 2 0 227.308 -0.816 20 0 BBADRP [NH3+]CC1(NC(=O)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000187178233 387172321 /nfs/dbraw/zinc/17/23/21/387172321.db2.gz TVBWALAICHNICZ-SECBINFHSA-N 2 0 227.308 -0.638 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187178365 387172725 /nfs/dbraw/zinc/17/27/25/387172725.db2.gz GZUROGMJRMFWAR-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@](C[NH3+])(NC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000187178676 387171889 /nfs/dbraw/zinc/17/18/89/387171889.db2.gz WKGPFTDNHOLQKA-MWLCHTKSSA-N 2 0 227.308 -0.782 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000187178697 387172418 /nfs/dbraw/zinc/17/24/18/387172418.db2.gz WKGPFTDNHOLQKA-KOLCDFICSA-N 2 0 227.308 -0.782 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187179056 387171942 /nfs/dbraw/zinc/17/19/42/387171942.db2.gz RUBONATUSBBFDR-VHSXEESVSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187179076 387173201 /nfs/dbraw/zinc/17/32/01/387173201.db2.gz RUBONATUSBBFDR-NXEZZACHSA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H]1C[NH3+] ZINC000187180003 387173608 /nfs/dbraw/zinc/17/36/08/387173608.db2.gz SVKSYHIPLDLRHW-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H]1C[NH3+] ZINC000187180026 387173650 /nfs/dbraw/zinc/17/36/50/387173650.db2.gz SVKSYHIPLDLRHW-HBNTYKKESA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000187180046 387172633 /nfs/dbraw/zinc/17/26/33/387172633.db2.gz SVKSYHIPLDLRHW-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000187180065 387173444 /nfs/dbraw/zinc/17/34/44/387173444.db2.gz SVKSYHIPLDLRHW-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180473 384192826 /nfs/dbraw/zinc/19/28/26/384192826.db2.gz WWVXZUGAIHVCRX-PWSUYJOCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180492 384194129 /nfs/dbraw/zinc/19/41/29/384194129.db2.gz WWVXZUGAIHVCRX-ZYHUDNBSSA-N 2 0 243.351 -0.146 20 0 BBADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180612 387173730 /nfs/dbraw/zinc/17/37/30/387173730.db2.gz ANVYMHQCFXMKSU-OPRDCNLKSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180631 134454769 /nfs/dbraw/zinc/45/47/69/134454769.db2.gz ANVYMHQCFXMKSU-IVZWLZJFSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180652 387173786 /nfs/dbraw/zinc/17/37/86/387173786.db2.gz ANVYMHQCFXMKSU-KXUCPTDWSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180665 387172777 /nfs/dbraw/zinc/17/27/77/387172777.db2.gz ANVYMHQCFXMKSU-LPEHRKFASA-N 2 0 227.308 -0.782 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180720 387173112 /nfs/dbraw/zinc/17/31/12/387173112.db2.gz LRFYZQPXSUGQCR-MWLCHTKSSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180743 387173626 /nfs/dbraw/zinc/17/36/26/387173626.db2.gz LRFYZQPXSUGQCR-KOLCDFICSA-N 2 0 229.324 -0.536 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180879 387172330 /nfs/dbraw/zinc/17/23/30/387172330.db2.gz JBBDVKMEKAIIPH-GARJFASQSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180901 387172247 /nfs/dbraw/zinc/17/22/47/387172247.db2.gz JBBDVKMEKAIIPH-HBNTYKKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180919 387172735 /nfs/dbraw/zinc/17/27/35/387172735.db2.gz JBBDVKMEKAIIPH-OUAUKWLOSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187180938 134454235 /nfs/dbraw/zinc/45/42/35/134454235.db2.gz JBBDVKMEKAIIPH-GMTAPVOTSA-N 2 0 241.335 -0.392 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187182396 188001604 /nfs/dbraw/zinc/00/16/04/188001604.db2.gz LLUIMMODDBPNRP-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187182414 384193689 /nfs/dbraw/zinc/19/36/89/384193689.db2.gz LLUIMMODDBPNRP-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187182617 342796023 /nfs/dbraw/zinc/79/60/23/342796023.db2.gz LHNGZSMZXDYHSM-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000187182631 169001969 /nfs/dbraw/zinc/00/19/69/169001969.db2.gz LHNGZSMZXDYHSM-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000187928178 387221638 /nfs/dbraw/zinc/22/16/38/387221638.db2.gz NUHZZGOIMBEANA-OUAUKWLOSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000187928208 387221772 /nfs/dbraw/zinc/22/17/72/387221772.db2.gz NUHZZGOIMBEANA-GARJFASQSA-N 2 0 241.335 -0.426 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187985149 387252677 /nfs/dbraw/zinc/25/26/77/387252677.db2.gz NFVGHCXUDJNCIK-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000187985196 387251556 /nfs/dbraw/zinc/25/15/56/387251556.db2.gz MGLVZLRYVKAKOW-LPEHRKFASA-N 2 0 227.308 -0.769 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000187986544 387251570 /nfs/dbraw/zinc/25/15/70/387251570.db2.gz DXNDMTAWASSZIH-YTWAJWBKSA-N 2 0 241.335 -0.523 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000187987002 387251998 /nfs/dbraw/zinc/25/19/98/387251998.db2.gz DXNDMTAWASSZIH-MMWGEVLESA-N 2 0 241.335 -0.523 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000187987029 387252917 /nfs/dbraw/zinc/25/29/17/387252917.db2.gz DXNDMTAWASSZIH-LMLFDSFASA-N 2 0 241.335 -0.523 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000187987054 387253049 /nfs/dbraw/zinc/25/30/49/387253049.db2.gz DXNDMTAWASSZIH-UKKRHICBSA-N 2 0 241.335 -0.523 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000187988846 387252612 /nfs/dbraw/zinc/25/26/12/387252612.db2.gz LTYATSQATHAEFW-KXUCPTDWSA-N 2 0 227.308 -0.816 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188026805 342866366 /nfs/dbraw/zinc/86/63/66/342866366.db2.gz AMKBVVKOKRKWDV-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188026829 342866223 /nfs/dbraw/zinc/86/62/23/342866223.db2.gz AMKBVVKOKRKWDV-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188088885 170015151 /nfs/dbraw/zinc/01/51/51/170015151.db2.gz QZJRKEOBWBDGEO-GHMZBOCLSA-N 2 0 241.335 -0.567 20 0 BBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188119996 384362564 /nfs/dbraw/zinc/36/25/64/384362564.db2.gz KOLFBWSSODPGSY-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188120021 384361913 /nfs/dbraw/zinc/36/19/13/384361913.db2.gz KOLFBWSSODPGSY-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188134668 487679562 /nfs/dbraw/zinc/67/95/62/487679562.db2.gz WQKUTXYDDQANCM-GHMZBOCLSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188134690 487679460 /nfs/dbraw/zinc/67/94/60/487679460.db2.gz WQKUTXYDDQANCM-WDEREUQCSA-N 2 0 241.335 -0.567 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188157527 384366003 /nfs/dbraw/zinc/36/60/03/384366003.db2.gz QBQLRKFMVZDPRT-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188157547 171306583 /nfs/dbraw/zinc/30/65/83/171306583.db2.gz QBQLRKFMVZDPRT-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000188167104 384368331 /nfs/dbraw/zinc/36/83/31/384368331.db2.gz GIHCSOOJIDKGMK-GXSJLCMTSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000188167128 384370207 /nfs/dbraw/zinc/37/02/07/384370207.db2.gz GIHCSOOJIDKGMK-MWLCHTKSSA-N 2 0 241.335 -0.426 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH2+]CC1 ZINC000188182767 347274004 /nfs/dbraw/zinc/27/40/04/347274004.db2.gz HXGHMTHKZTYSCL-JGVFFNPUSA-N 2 0 201.245 -0.882 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC[NH2+]CC1 ZINC000188182834 386290013 /nfs/dbraw/zinc/29/00/13/386290013.db2.gz BYPLREDRCPKCOA-DTWKUNHWSA-N 2 0 215.272 -0.492 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188183073 387256967 /nfs/dbraw/zinc/25/69/67/387256967.db2.gz LQGOYMSJTFOHDP-QMMMGPOBSA-N 2 0 249.318 -0.463 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188183099 387257083 /nfs/dbraw/zinc/25/70/83/387257083.db2.gz LQGOYMSJTFOHDP-MRVPVSSYSA-N 2 0 249.318 -0.463 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188183121 386289848 /nfs/dbraw/zinc/28/98/48/386289848.db2.gz LKMRTNMGXLVBTK-XHNCKOQMSA-N 2 0 215.272 -0.445 20 0 BBADRP C[NH2+]CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188183190 387255941 /nfs/dbraw/zinc/25/59/41/387255941.db2.gz CEAIYMYFYMNEBC-UHFFFAOYSA-N 2 0 237.307 -0.605 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188183228 386290347 /nfs/dbraw/zinc/29/03/47/386290347.db2.gz FMMKVSMCGAMLLU-JGVFFNPUSA-N 2 0 203.261 -0.588 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188183909 386288925 /nfs/dbraw/zinc/28/89/25/386288925.db2.gz LQHSLCFPFGHLAC-BIIVOSGPSA-N 2 0 203.261 -0.460 20 0 BBADRP C[C@@H]([NH3+])CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188183933 386289926 /nfs/dbraw/zinc/28/99/26/386289926.db2.gz LQHSLCFPFGHLAC-GJMOJQLCSA-N 2 0 203.261 -0.460 20 0 BBADRP CC[NH2+]CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188184478 387256878 /nfs/dbraw/zinc/25/68/78/387256878.db2.gz YBXGFGDAQOGTEY-UHFFFAOYSA-N 2 0 237.307 -0.605 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188184549 386289562 /nfs/dbraw/zinc/28/95/62/386289562.db2.gz CPOMGUKZEMENSQ-JGVFFNPUSA-N 2 0 203.261 -0.588 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188184782 387255973 /nfs/dbraw/zinc/25/59/73/387255973.db2.gz PAXFZFKPNHKXSF-MRVPVSSYSA-N 2 0 249.318 -0.463 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188184808 387256655 /nfs/dbraw/zinc/25/66/55/387256655.db2.gz PAXFZFKPNHKXSF-QMMMGPOBSA-N 2 0 249.318 -0.463 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188184844 386289333 /nfs/dbraw/zinc/28/93/33/386289333.db2.gz NHEDNGFFLYNKJZ-DJLDLDEBSA-N 2 0 215.272 -0.445 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188184868 386289075 /nfs/dbraw/zinc/28/90/75/386289075.db2.gz NHEDNGFFLYNKJZ-XHNCKOQMSA-N 2 0 215.272 -0.445 20 0 BBADRP O=C(NCC[NH2+]C1CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188184904 387256094 /nfs/dbraw/zinc/25/60/94/387256094.db2.gz JOAHFNIROVUNEG-UHFFFAOYSA-N 2 0 249.318 -0.463 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188184940 387257616 /nfs/dbraw/zinc/25/76/16/387257616.db2.gz GAWXGHKTQJCXNH-IONNQARKSA-N 2 0 215.272 -0.445 20 0 BBADRP CN(C(=O)[C@H]1C[C@H](F)C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000188185405 386289388 /nfs/dbraw/zinc/28/93/88/386289388.db2.gz LNQJWIVBZJMNBU-DJLDLDEBSA-N 2 0 215.272 -0.493 20 0 BBADRP CN(C(=O)[C@H]1C[C@H](F)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000188185423 386288804 /nfs/dbraw/zinc/28/88/04/386288804.db2.gz LNQJWIVBZJMNBU-XHNCKOQMSA-N 2 0 215.272 -0.493 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000188185642 386288861 /nfs/dbraw/zinc/28/88/61/386288861.db2.gz MPENSNMUZVYTMY-QCLAVDOMSA-N 2 0 229.299 -0.105 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000188185663 386289545 /nfs/dbraw/zinc/28/95/45/386289545.db2.gz MPENSNMUZVYTMY-AATLWQCWSA-N 2 0 229.299 -0.105 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000188185684 386289730 /nfs/dbraw/zinc/28/97/30/386289730.db2.gz MPENSNMUZVYTMY-DOLQZWNJSA-N 2 0 229.299 -0.105 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188185771 384831405 /nfs/dbraw/zinc/83/14/05/384831405.db2.gz OYLGRTYGYZGMAY-XHNCKOQMSA-N 2 0 217.288 -0.342 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188185798 384830376 /nfs/dbraw/zinc/83/03/76/384830376.db2.gz OYLGRTYGYZGMAY-HRDYMLBCSA-N 2 0 217.288 -0.342 20 0 BBADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186158 387256457 /nfs/dbraw/zinc/25/64/57/387256457.db2.gz YUTAAPHJCSCTMT-UTINFBMNSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186182 387255908 /nfs/dbraw/zinc/25/59/08/387255908.db2.gz YUTAAPHJCSCTMT-AXTSPUMRSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186209 387256803 /nfs/dbraw/zinc/25/68/03/387256803.db2.gz YUTAAPHJCSCTMT-XFWSIPNHSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186233 387256542 /nfs/dbraw/zinc/25/65/42/387256542.db2.gz YUTAAPHJCSCTMT-AATLWQCWSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000188186264 386280764 /nfs/dbraw/zinc/28/07/64/386280764.db2.gz KNVJWOHAGANFJV-DJLDLDEBSA-N 2 0 215.272 -0.460 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000188186287 386280947 /nfs/dbraw/zinc/28/09/47/386280947.db2.gz KNVJWOHAGANFJV-YIZRAAEISA-N 2 0 215.272 -0.460 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186485 387257371 /nfs/dbraw/zinc/25/73/71/387257371.db2.gz YYLABTAGGWBMOK-NKWVEPMBSA-N 2 0 203.261 -0.460 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188249906 169121817 /nfs/dbraw/zinc/12/18/17/169121817.db2.gz FFHATRFRXJQIDT-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[NH2+]CCNC(=O)c1c[nH+]ccc1N ZINC000188286229 174333934 /nfs/dbraw/zinc/33/39/34/174333934.db2.gz OONRYOAGEHQLOP-UHFFFAOYSA-N 2 0 238.291 -0.370 20 0 BBADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000188287222 357537326 /nfs/dbraw/zinc/53/73/26/357537326.db2.gz UFXYGCAYEQPWPC-KXUCPTDWSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000188287245 357537747 /nfs/dbraw/zinc/53/77/47/357537747.db2.gz UFXYGCAYEQPWPC-LPEHRKFASA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000188287268 357537487 /nfs/dbraw/zinc/53/74/87/357537487.db2.gz UFXYGCAYEQPWPC-IVZWLZJFSA-N 2 0 227.308 -0.639 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CC[NH2+]1 ZINC000188381351 176247080 /nfs/dbraw/zinc/24/70/80/176247080.db2.gz VHNCVAJEYNNAJT-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[NH2+]1 ZINC000188425451 176247865 /nfs/dbraw/zinc/24/78/65/176247865.db2.gz VMTSWVPHBBPDSH-NXEZZACHSA-N 2 0 243.376 -0.098 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[NH2+]1 ZINC000188425477 176248151 /nfs/dbraw/zinc/24/81/51/176248151.db2.gz VMTSWVPHBBPDSH-ZJUUUORDSA-N 2 0 243.376 -0.098 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC000188439360 176255473 /nfs/dbraw/zinc/25/54/73/176255473.db2.gz WGVUQSZCZXQKMC-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000188453084 346812679 /nfs/dbraw/zinc/81/26/79/346812679.db2.gz GTQWBCIEROSSKQ-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188687928 134534204 /nfs/dbraw/zinc/53/42/04/134534204.db2.gz MPXJJFNMMNHTJF-DTWKUNHWSA-N 2 0 217.288 -0.246 20 0 BBADRP O=C(NCC[NH+]1CCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188697305 387070476 /nfs/dbraw/zinc/07/04/76/387070476.db2.gz IWQPMODRGMWENZ-VHSXEESVSA-N 2 0 229.299 -0.102 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188736259 357566984 /nfs/dbraw/zinc/56/69/84/357566984.db2.gz HAOCVMCPVCHJLI-IVZWLZJFSA-N 2 0 229.299 -0.103 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188736279 357566864 /nfs/dbraw/zinc/56/68/64/357566864.db2.gz HAOCVMCPVCHJLI-LPEHRKFASA-N 2 0 229.299 -0.103 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188744201 357566993 /nfs/dbraw/zinc/56/69/93/357566993.db2.gz ZAYDQHBDIPLPIF-DTWKUNHWSA-N 2 0 217.288 -0.246 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188750949 357567049 /nfs/dbraw/zinc/56/70/49/357567049.db2.gz FNAWOLYZBPUNQC-VHSXEESVSA-N 2 0 247.314 -0.619 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188763990 387080179 /nfs/dbraw/zinc/08/01/79/387080179.db2.gz XDLFXZZWRMHXKP-HBNTYKKESA-N 2 0 241.310 -0.007 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000188764015 387080887 /nfs/dbraw/zinc/08/08/87/387080887.db2.gz XDLFXZZWRMHXKP-GARJFASQSA-N 2 0 241.310 -0.007 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188800823 353266738 /nfs/dbraw/zinc/26/67/38/353266738.db2.gz BIJAHTADTURZKU-DTWKUNHWSA-N 2 0 217.288 -0.198 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000188800953 134537389 /nfs/dbraw/zinc/53/73/89/134537389.db2.gz SVNBKLPYIBFJFB-DJLDLDEBSA-N 2 0 215.272 -0.460 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000188800975 353266955 /nfs/dbraw/zinc/26/69/55/353266955.db2.gz SVNBKLPYIBFJFB-XHNCKOQMSA-N 2 0 215.272 -0.460 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188801002 357587539 /nfs/dbraw/zinc/58/75/39/357587539.db2.gz BFCFMFDQHLKABT-DTWKUNHWSA-N 2 0 233.287 -0.961 20 0 BBADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188882644 357595085 /nfs/dbraw/zinc/59/50/85/357595085.db2.gz LGJVAHWGSVLVGG-IVZWLZJFSA-N 2 0 229.299 -0.151 20 0 BBADRP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188882665 357594248 /nfs/dbraw/zinc/59/42/48/357594248.db2.gz LGJVAHWGSVLVGG-LPEHRKFASA-N 2 0 229.299 -0.151 20 0 BBADRP C[C@H](O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000189188161 357608100 /nfs/dbraw/zinc/60/81/00/357608100.db2.gz FDTMDBUXKPGGJN-JTQLQIEISA-N 2 0 229.324 -0.927 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000189268824 174770024 /nfs/dbraw/zinc/77/00/24/174770024.db2.gz OTOVVUMFDUQIIQ-VHSXEESVSA-N 2 0 243.351 -0.132 20 0 BBADRP C[C@@H](O)C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000189338110 385147273 /nfs/dbraw/zinc/14/72/73/385147273.db2.gz QNLRFBZXMUWFHX-LLVKDONJSA-N 2 0 238.335 -0.082 20 0 BBADRP C[C@H](O)C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000189399374 385155023 /nfs/dbraw/zinc/15/50/23/385155023.db2.gz QNLRFBZXMUWFHX-NSHDSACASA-N 2 0 238.335 -0.082 20 0 BBADRP C[C@H](O)C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000189399543 385152886 /nfs/dbraw/zinc/15/28/86/385152886.db2.gz HACDKBHNHAEDQW-JTQLQIEISA-N 2 0 224.308 -0.092 20 0 BBADRP C[C@@H](O)C[NH+]1CCN(Cc2cncn2C)CC1 ZINC000189402059 385155721 /nfs/dbraw/zinc/15/57/21/385155721.db2.gz NJTFXXVJYZIOBV-LLVKDONJSA-N 2 0 238.335 -0.082 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000191867517 357810585 /nfs/dbraw/zinc/81/05/85/357810585.db2.gz MGLVZLRYVKAKOW-KXUCPTDWSA-N 2 0 227.308 -0.769 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000191867684 361458664 /nfs/dbraw/zinc/45/86/64/361458664.db2.gz JLXYHUBMGWNJMC-OUAUKWLOSA-N 2 0 241.335 -0.426 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000191867696 361458764 /nfs/dbraw/zinc/45/87/64/361458764.db2.gz JLXYHUBMGWNJMC-GARJFASQSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000191867818 134579266 /nfs/dbraw/zinc/57/92/66/134579266.db2.gz BUJSDDKYBOGKFP-LPEHRKFASA-N 2 0 227.308 -0.769 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000191867827 357811004 /nfs/dbraw/zinc/81/10/04/357811004.db2.gz BUJSDDKYBOGKFP-KXUCPTDWSA-N 2 0 227.308 -0.769 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000191867986 387186742 /nfs/dbraw/zinc/18/67/42/387186742.db2.gz MIRXXFYPHDAUQT-ZRUFSTJUSA-N 2 0 241.335 -0.428 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000191868001 387186332 /nfs/dbraw/zinc/18/63/32/387186332.db2.gz MIRXXFYPHDAUQT-XWLWVQCSSA-N 2 0 241.335 -0.428 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000191868014 387185775 /nfs/dbraw/zinc/18/57/75/387185775.db2.gz MIRXXFYPHDAUQT-CHWFTXMASA-N 2 0 241.335 -0.428 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000191868030 388268347 /nfs/dbraw/zinc/26/83/47/388268347.db2.gz FACCLORLTIGSIY-LPEHRKFASA-N 2 0 229.324 -0.665 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000191868043 388268840 /nfs/dbraw/zinc/26/88/40/388268840.db2.gz FACCLORLTIGSIY-KXUCPTDWSA-N 2 0 229.324 -0.665 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000191868057 357810565 /nfs/dbraw/zinc/81/05/65/357810565.db2.gz LTYATSQATHAEFW-LPEHRKFASA-N 2 0 227.308 -0.816 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000191868148 357810859 /nfs/dbraw/zinc/81/08/59/357810859.db2.gz LTXFNQAVUZKAHR-LMLFDSFASA-N 2 0 241.335 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000191868159 536742413 /nfs/dbraw/zinc/74/24/13/536742413.db2.gz LTXFNQAVUZKAHR-VPOLOUISSA-N 2 0 241.335 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000191868170 357811216 /nfs/dbraw/zinc/81/12/16/357811216.db2.gz LTXFNQAVUZKAHR-UKKRHICBSA-N 2 0 241.335 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000191868181 357810668 /nfs/dbraw/zinc/81/06/68/357810668.db2.gz LTXFNQAVUZKAHR-XWLWVQCSSA-N 2 0 241.335 -0.393 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000191868269 357810927 /nfs/dbraw/zinc/81/09/27/357810927.db2.gz OJGUZUOXHDJUFP-VHSXEESVSA-N 2 0 243.351 -0.003 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000191868329 357811214 /nfs/dbraw/zinc/81/12/14/357811214.db2.gz DGWUTKJZDMOVKC-GARJFASQSA-N 2 0 243.351 -0.003 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000191868340 134579679 /nfs/dbraw/zinc/57/96/79/134579679.db2.gz DGWUTKJZDMOVKC-OUAUKWLOSA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000191987083 365219925 /nfs/dbraw/zinc/21/99/25/365219925.db2.gz WKXSVRNASGXZMX-WDEREUQCSA-N 2 0 242.367 -0.619 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000191987090 365219583 /nfs/dbraw/zinc/21/95/83/365219583.db2.gz WKXSVRNASGXZMX-GHMZBOCLSA-N 2 0 242.367 -0.619 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000191987093 365219858 /nfs/dbraw/zinc/21/98/58/365219858.db2.gz WKXSVRNASGXZMX-QWRGUYRKSA-N 2 0 242.367 -0.619 20 0 BBADRP C[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000191987100 365219927 /nfs/dbraw/zinc/21/99/27/365219927.db2.gz WKXSVRNASGXZMX-MNOVXSKESA-N 2 0 242.367 -0.619 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000191987609 365219830 /nfs/dbraw/zinc/21/98/30/365219830.db2.gz KZNYSIQKARGFRO-XHNCKOQMSA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000191987618 365221452 /nfs/dbraw/zinc/22/14/52/365221452.db2.gz KZNYSIQKARGFRO-DJLDLDEBSA-N 2 0 201.314 -0.059 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192126916 355958342 /nfs/dbraw/zinc/95/83/42/355958342.db2.gz YAORVZZAERLFRW-DTWKUNHWSA-N 2 0 217.313 -0.678 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192126920 365276373 /nfs/dbraw/zinc/27/63/73/365276373.db2.gz YAORVZZAERLFRW-RKDXNWHRSA-N 2 0 217.313 -0.678 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192126924 365276339 /nfs/dbraw/zinc/27/63/39/365276339.db2.gz YAORVZZAERLFRW-IUCAKERBSA-N 2 0 217.313 -0.678 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192126929 365276530 /nfs/dbraw/zinc/27/65/30/365276530.db2.gz YAORVZZAERLFRW-BDAKNGLRSA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000193144049 356722229 /nfs/dbraw/zinc/72/22/29/356722229.db2.gz GBQYCDBHKHFFBW-ZJUUUORDSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000193144061 173327265 /nfs/dbraw/zinc/32/72/65/173327265.db2.gz GBQYCDBHKHFFBW-UWVGGRQHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000193144076 356722126 /nfs/dbraw/zinc/72/21/26/356722126.db2.gz GBQYCDBHKHFFBW-NXEZZACHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000193144089 356722194 /nfs/dbraw/zinc/72/21/94/356722194.db2.gz GBQYCDBHKHFFBW-VHSXEESVSA-N 2 0 211.309 -0.242 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NCCCN1CC[NH2+]CC1 ZINC000193169938 388784497 /nfs/dbraw/zinc/78/44/97/388784497.db2.gz OVTZQGWAUYZVAR-NSHDSACASA-N 2 0 242.367 -0.475 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NCCCN1CC[NH2+]CC1 ZINC000193169949 388784892 /nfs/dbraw/zinc/78/48/92/388784892.db2.gz OVTZQGWAUYZVAR-LLVKDONJSA-N 2 0 242.367 -0.475 20 0 BBADRP COCC[NH2+]CCNC(=O)CC[C@H](C)[NH3+] ZINC000193324012 367167844 /nfs/dbraw/zinc/16/78/44/367167844.db2.gz WKFQBGDYLQEQHM-VIFPVBQESA-N 2 0 217.313 -0.534 20 0 BBADRP COCC[NH2+]CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193324022 367167891 /nfs/dbraw/zinc/16/78/91/367167891.db2.gz WKFQBGDYLQEQHM-SECBINFHSA-N 2 0 217.313 -0.534 20 0 BBADRP CC1(NC(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]CC1 ZINC000193394795 644237711 /nfs/dbraw/zinc/23/77/11/644237711.db2.gz SBRACRBCPGJCOB-NSHDSACASA-N 2 0 229.299 -0.054 20 0 BBADRP CC1(NC(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]CC1 ZINC000193394808 644236934 /nfs/dbraw/zinc/23/69/34/644236934.db2.gz SBRACRBCPGJCOB-LLVKDONJSA-N 2 0 229.299 -0.054 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000193477007 357928036 /nfs/dbraw/zinc/92/80/36/357928036.db2.gz TZOQBOUNLVWKRB-LMLFDSFASA-N 2 0 241.335 -0.380 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000193477018 357928231 /nfs/dbraw/zinc/92/82/31/357928231.db2.gz TZOQBOUNLVWKRB-UKKRHICBSA-N 2 0 241.335 -0.380 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000193477033 357927986 /nfs/dbraw/zinc/92/79/86/357927986.db2.gz TZOQBOUNLVWKRB-VPOLOUISSA-N 2 0 241.335 -0.380 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000193477045 357928074 /nfs/dbraw/zinc/92/80/74/357928074.db2.gz TZOQBOUNLVWKRB-XWLWVQCSSA-N 2 0 241.335 -0.380 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000193500110 357191616 /nfs/dbraw/zinc/19/16/16/357191616.db2.gz WVUCSZQPHZUFRQ-GUBZILKMSA-N 2 0 211.309 -0.005 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193523951 367188257 /nfs/dbraw/zinc/18/82/57/367188257.db2.gz KZPGMMJXWWEVMP-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000193545228 367191239 /nfs/dbraw/zinc/19/12/39/367191239.db2.gz RDRWWPDRBYCRPA-WPRPVWTQSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000193637010 387859153 /nfs/dbraw/zinc/85/91/53/387859153.db2.gz XXFRUTZERFZERQ-NGZCFLSTSA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000193637040 387859280 /nfs/dbraw/zinc/85/92/80/387859280.db2.gz XXFRUTZERFZERQ-QXEWZRGKSA-N 2 0 229.299 -0.055 20 0 BBADRP C[NH2+]CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000194758219 388883253 /nfs/dbraw/zinc/88/32/53/388883253.db2.gz FKCLUELRZMJQHO-UHFFFAOYSA-N 2 0 242.348 -0.016 20 0 BBADRP CC[NH2+]CCNC(=O)c1csc(CC[NH3+])n1 ZINC000194761234 367320910 /nfs/dbraw/zinc/32/09/10/367320910.db2.gz WUJOALZNGKEXJA-UHFFFAOYSA-N 2 0 242.348 -0.016 20 0 BBADRP C[C@H]([NH3+])CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000194887210 388454877 /nfs/dbraw/zinc/45/48/77/388454877.db2.gz DCORECZJCNJKDI-JGVFFNPUSA-N 2 0 217.338 -0.455 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000194887226 388454612 /nfs/dbraw/zinc/45/46/12/388454612.db2.gz DCORECZJCNJKDI-HTQZYQBOSA-N 2 0 217.338 -0.455 20 0 BBADRP C[C@H]([NH3+])CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000194887239 388454442 /nfs/dbraw/zinc/45/44/42/388454442.db2.gz DCORECZJCNJKDI-YUMQZZPRSA-N 2 0 217.338 -0.455 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000194887248 388454807 /nfs/dbraw/zinc/45/48/07/388454807.db2.gz DCORECZJCNJKDI-SFYZADRCSA-N 2 0 217.338 -0.455 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000195136444 353726010 /nfs/dbraw/zinc/72/60/10/353726010.db2.gz ULNDKHGSACLMAZ-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000195136455 353725990 /nfs/dbraw/zinc/72/59/90/353725990.db2.gz ULNDKHGSACLMAZ-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000195145323 367344175 /nfs/dbraw/zinc/34/41/75/367344175.db2.gz PEVIBVIXLWSRSS-DCAQKATOSA-N 2 0 243.351 -0.051 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195216434 367350291 /nfs/dbraw/zinc/35/02/91/367350291.db2.gz VTZUPSIXCAYHAZ-KXUCPTDWSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195216448 388145802 /nfs/dbraw/zinc/14/58/02/388145802.db2.gz VTZUPSIXCAYHAZ-AEJSXWLSSA-N 2 0 209.293 -0.584 20 0 BBADRP [NH3+]C1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000195216502 181323702 /nfs/dbraw/zinc/32/37/02/181323702.db2.gz UBKGNUAMFYNINF-AOOOYVTPSA-N 2 0 223.320 -0.064 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195221364 387912069 /nfs/dbraw/zinc/91/20/69/387912069.db2.gz GJINYADTDZEQAC-AEJSXWLSSA-N 2 0 211.309 -0.353 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195221495 387911630 /nfs/dbraw/zinc/91/16/30/387911630.db2.gz UZHRVFCJSVMUCG-ZRUFSTJUSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195221506 387911366 /nfs/dbraw/zinc/91/13/66/387911366.db2.gz UZHRVFCJSVMUCG-LMLFDSFASA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195221517 387912097 /nfs/dbraw/zinc/91/20/97/387912097.db2.gz UZHRVFCJSVMUCG-VLEAKVRGSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@H]1CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195221527 387911168 /nfs/dbraw/zinc/91/11/68/387911168.db2.gz UZHRVFCJSVMUCG-YTWAJWBKSA-N 2 0 223.320 -0.208 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195226357 387911603 /nfs/dbraw/zinc/91/16/03/387911603.db2.gz OFDZFVBRJSYEOM-OUAUKWLOSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195226368 387911401 /nfs/dbraw/zinc/91/14/01/387911401.db2.gz OFDZFVBRJSYEOM-AXFHLTTASA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@@H]1CCCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227262 387910376 /nfs/dbraw/zinc/91/03/76/387910376.db2.gz ZTGPQLGXMWBUEQ-AXFHLTTASA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@H]1CCCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227274 387909777 /nfs/dbraw/zinc/90/97/77/387909777.db2.gz ZTGPQLGXMWBUEQ-OUAUKWLOSA-N 2 0 223.320 -0.194 20 0 BBADRP CCC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232579 388149703 /nfs/dbraw/zinc/14/97/03/388149703.db2.gz UACZFIZFDPRTRV-AEJSXWLSSA-N 2 0 211.309 -0.208 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232590 134838222 /nfs/dbraw/zinc/83/82/22/134838222.db2.gz UACZFIZFDPRTRV-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP O=C(C[NH2+]C1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195237082 361686200 /nfs/dbraw/zinc/68/62/00/361686200.db2.gz QFARDKWIKFJWLE-DTORHVGOSA-N 2 0 209.293 -0.584 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195253065 388151645 /nfs/dbraw/zinc/15/16/45/388151645.db2.gz ZURGTDMSZFWCGQ-QCLAVDOMSA-N 2 0 211.309 -0.353 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195253072 388151527 /nfs/dbraw/zinc/15/15/27/388151527.db2.gz ZURGTDMSZFWCGQ-KYXWUPHJSA-N 2 0 211.309 -0.353 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195253082 134842110 /nfs/dbraw/zinc/84/21/10/134842110.db2.gz ZURGTDMSZFWCGQ-AATLWQCWSA-N 2 0 211.309 -0.353 20 0 BBADRP C[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H](C)[NH3+] ZINC000195253088 134842799 /nfs/dbraw/zinc/84/27/99/134842799.db2.gz ZURGTDMSZFWCGQ-RGOKHQFPSA-N 2 0 211.309 -0.353 20 0 BBADRP CC(C)([NH3+])CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195260415 388153371 /nfs/dbraw/zinc/15/33/71/388153371.db2.gz XPAXSKBWKOKGEM-DTORHVGOSA-N 2 0 211.309 -0.208 20 0 BBADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@]1(F)CC[NH2+]C1 ZINC000195266740 644374462 /nfs/dbraw/zinc/37/44/62/644374462.db2.gz QYPDLZJSJNUDTJ-NGZCFLSTSA-N 2 0 227.283 -0.634 20 0 BBADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]1(F)CC[NH2+]C1 ZINC000195266750 644373805 /nfs/dbraw/zinc/37/38/05/644373805.db2.gz QYPDLZJSJNUDTJ-WCABBAIRSA-N 2 0 227.283 -0.634 20 0 BBADRP O=C([C@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195268857 387917064 /nfs/dbraw/zinc/91/70/64/387917064.db2.gz LEHBGOGOENGUIT-GARJFASQSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195268866 387915268 /nfs/dbraw/zinc/91/52/68/387915268.db2.gz LEHBGOGOENGUIT-MXWKQRLJSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C(C[NH2+]CC1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195268880 387916848 /nfs/dbraw/zinc/91/68/48/387916848.db2.gz ZVEGTOONVUGCAI-PHIMTYICSA-N 2 0 223.320 -0.336 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195268891 388153863 /nfs/dbraw/zinc/15/38/63/388153863.db2.gz NPDVYQPXPVDJLB-LPEHRKFASA-N 2 0 211.309 -0.480 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195268900 388153918 /nfs/dbraw/zinc/15/39/18/388153918.db2.gz NPDVYQPXPVDJLB-BBBLOLIVSA-N 2 0 211.309 -0.480 20 0 BBADRP C[NH+](C)CCNC(=S)NCC[NH+](C)C ZINC000199341986 644472961 /nfs/dbraw/zinc/47/29/61/644472961.db2.gz PCPWQQIAPMONQB-UHFFFAOYSA-N 2 0 218.370 -0.426 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000201456523 386561408 /nfs/dbraw/zinc/56/14/08/386561408.db2.gz ROMKZEIUQHHPGR-VHSXEESVSA-N 2 0 211.309 -0.112 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000204514931 345731974 /nfs/dbraw/zinc/73/19/74/345731974.db2.gz VEKCONDEUFRPCW-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP [NH3+]C1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000204731029 387514443 /nfs/dbraw/zinc/51/44/43/387514443.db2.gz JGIJWWUSHYHOQF-UHFFFAOYSA-N 3 0 226.368 -0.249 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC1CC[NH2+]CC1 ZINC000205282603 359753180 /nfs/dbraw/zinc/75/31/80/359753180.db2.gz MCYBPINILMUIJF-LLVKDONJSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC1CC[NH2+]CC1 ZINC000205282620 345732612 /nfs/dbraw/zinc/73/26/12/345732612.db2.gz MCYBPINILMUIJF-NSHDSACASA-N 2 0 241.335 -0.519 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000208784488 388508058 /nfs/dbraw/zinc/50/80/58/388508058.db2.gz ROMKZEIUQHHPGR-ZJUUUORDSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000208784516 388508017 /nfs/dbraw/zinc/50/80/17/388508017.db2.gz ROMKZEIUQHHPGR-UWVGGRQHSA-N 2 0 211.309 -0.112 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])CCSC ZINC000209402737 349041637 /nfs/dbraw/zinc/04/16/37/349041637.db2.gz WZEPJMAPDAJGBD-MRVPVSSYSA-N 2 0 219.354 -0.208 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000211637416 488067340 /nfs/dbraw/zinc/06/73/40/488067340.db2.gz IBOPFXFGKDEKBE-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000211637489 411138446 /nfs/dbraw/zinc/13/84/46/411138446.db2.gz IBOPFXFGKDEKBE-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP CN(CCN1CC[NH2+]CC1)Cc1ccn(C)n1 ZINC000211871838 411141697 /nfs/dbraw/zinc/14/16/97/411141697.db2.gz SBEFQGWZZMAAOG-UHFFFAOYSA-N 2 0 237.351 -0.243 20 0 BBADRP [NH3+]CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000212430132 343130509 /nfs/dbraw/zinc/13/05/09/343130509.db2.gz NLEWXYRBEQURKL-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000212430745 345733997 /nfs/dbraw/zinc/73/39/97/345733997.db2.gz HXTXXEOPIAPVCU-SNVBAGLBSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000212430819 344144965 /nfs/dbraw/zinc/14/49/65/344144965.db2.gz HXTXXEOPIAPVCU-JTQLQIEISA-N 2 0 211.309 -0.099 20 0 BBADRP CC[S@@](=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000217331179 589398001 /nfs/dbraw/zinc/39/80/01/589398001.db2.gz RRUBZUACIYOWRK-BDJLRTHQSA-N 2 0 248.392 -0.199 20 0 BBADRP CC[S@](=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000217331181 589398044 /nfs/dbraw/zinc/39/80/44/589398044.db2.gz RRUBZUACIYOWRK-BZNIZROVSA-N 2 0 248.392 -0.199 20 0 BBADRP CC[S@@](=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000217331182 589398033 /nfs/dbraw/zinc/39/80/33/589398033.db2.gz RRUBZUACIYOWRK-MEDUHNTESA-N 2 0 248.392 -0.199 20 0 BBADRP CC[S@](=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000217331184 589397922 /nfs/dbraw/zinc/39/79/22/589397922.db2.gz RRUBZUACIYOWRK-ZBEGNZNMSA-N 2 0 248.392 -0.199 20 0 BBADRP C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](C[NH3+])C1 ZINC000217555347 134248198 /nfs/dbraw/zinc/24/81/98/134248198.db2.gz NLJQYAHDORVIGG-SFYZADRCSA-N 2 0 228.296 -0.760 20 0 BBADRP C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](C[NH3+])C1 ZINC000217555433 134248474 /nfs/dbraw/zinc/24/84/74/134248474.db2.gz NLJQYAHDORVIGG-YUMQZZPRSA-N 2 0 228.296 -0.760 20 0 BBADRP O=C1NC[C@H]2CN(C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000217962563 134251246 /nfs/dbraw/zinc/25/12/46/134251246.db2.gz UFAZPQXTSSSNSQ-MNOVXSKESA-N 2 0 238.335 -0.305 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000218260278 134252690 /nfs/dbraw/zinc/25/26/90/134252690.db2.gz ZQMWCKOJXCZEGG-WDEREUQCSA-N 2 0 223.320 -0.098 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000219043345 412335875 /nfs/dbraw/zinc/33/58/75/412335875.db2.gz YMBWIGWANFPFRE-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000219043434 412335824 /nfs/dbraw/zinc/33/58/24/412335824.db2.gz YMBWIGWANFPFRE-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000219097973 488043728 /nfs/dbraw/zinc/04/37/28/488043728.db2.gz DYWRDUYWKOQZLU-RYUDHWBXSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000219098043 488043558 /nfs/dbraw/zinc/04/35/58/488043558.db2.gz DYWRDUYWKOQZLU-NEPJUHHUSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000219173908 134274598 /nfs/dbraw/zinc/27/45/98/134274598.db2.gz MFAIHZALMRBOOF-BBBLOLIVSA-N 2 0 229.324 -0.834 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000219173991 388588276 /nfs/dbraw/zinc/58/82/76/388588276.db2.gz MFAIHZALMRBOOF-IVZWLZJFSA-N 2 0 229.324 -0.834 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000219174067 134274677 /nfs/dbraw/zinc/27/46/77/134274677.db2.gz MFAIHZALMRBOOF-OPRDCNLKSA-N 2 0 229.324 -0.834 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000219243199 350118656 /nfs/dbraw/zinc/11/86/56/350118656.db2.gz UJLIPEAEEAUBRO-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000219243289 350118449 /nfs/dbraw/zinc/11/84/49/350118449.db2.gz UJLIPEAEEAUBRO-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000219243357 350118488 /nfs/dbraw/zinc/11/84/88/350118488.db2.gz UJLIPEAEEAUBRO-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000219243424 350118611 /nfs/dbraw/zinc/11/86/11/350118611.db2.gz UJLIPEAEEAUBRO-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[N@H+](CCNC(=O)C[C@@H](C[NH3+])OC)C1CC1 ZINC000219243999 134276948 /nfs/dbraw/zinc/27/69/48/134276948.db2.gz SCQBNDNCNBGZHP-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@H+](CCNC(=O)C[C@H](C[NH3+])OC)C1CC1 ZINC000219244058 350118575 /nfs/dbraw/zinc/11/85/75/350118575.db2.gz SCQBNDNCNBGZHP-LLVKDONJSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219244164 350118707 /nfs/dbraw/zinc/11/87/07/350118707.db2.gz ZGRUIFRKQPIYQI-MWLCHTKSSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219244226 350118120 /nfs/dbraw/zinc/11/81/20/350118120.db2.gz ZGRUIFRKQPIYQI-KOLCDFICSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219244284 350118322 /nfs/dbraw/zinc/11/83/22/350118322.db2.gz ZGRUIFRKQPIYQI-GXSJLCMTSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219244334 134276974 /nfs/dbraw/zinc/27/69/74/134276974.db2.gz ZGRUIFRKQPIYQI-ONGXEEELSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCN(C)C[C@@H]1C ZINC000219244892 350118595 /nfs/dbraw/zinc/11/85/95/350118595.db2.gz NKONXZIMSKONTB-VHSXEESVSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCN(C)C[C@@H]1C ZINC000219244956 350118776 /nfs/dbraw/zinc/11/87/76/350118776.db2.gz NKONXZIMSKONTB-UWVGGRQHSA-N 2 0 229.324 -0.487 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219944500 592265464 /nfs/dbraw/zinc/26/54/64/592265464.db2.gz YOKLHUPJIABSLE-MWLCHTKSSA-N 2 0 243.351 -0.051 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219944527 592265747 /nfs/dbraw/zinc/26/57/47/592265747.db2.gz YOKLHUPJIABSLE-KOLCDFICSA-N 2 0 243.351 -0.051 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219944554 592265679 /nfs/dbraw/zinc/26/56/79/592265679.db2.gz YOKLHUPJIABSLE-GXSJLCMTSA-N 2 0 243.351 -0.051 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219944574 592265556 /nfs/dbraw/zinc/26/55/56/592265556.db2.gz YOKLHUPJIABSLE-ONGXEEELSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000220128217 134301152 /nfs/dbraw/zinc/30/11/52/134301152.db2.gz CFTAXFMIXAEVFM-ZJUUUORDSA-N 2 0 231.340 -0.193 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000220128293 134301048 /nfs/dbraw/zinc/30/10/48/134301048.db2.gz CFTAXFMIXAEVFM-UWVGGRQHSA-N 2 0 231.340 -0.193 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000220167893 412089755 /nfs/dbraw/zinc/08/97/55/412089755.db2.gz HXJZOPHAINPARG-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000220167959 412090078 /nfs/dbraw/zinc/09/00/78/412090078.db2.gz HXJZOPHAINPARG-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000220190544 353820527 /nfs/dbraw/zinc/82/05/27/353820527.db2.gz UQRQHTBICXDBOQ-OUAUKWLOSA-N 2 0 241.335 -0.345 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000220190623 353820423 /nfs/dbraw/zinc/82/04/23/353820423.db2.gz UQRQHTBICXDBOQ-VWYCJHECSA-N 2 0 241.335 -0.345 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000220192924 353820479 /nfs/dbraw/zinc/82/04/79/353820479.db2.gz YXWLPHJLTADYSZ-DCAQKATOSA-N 2 0 241.335 -0.345 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000220193009 353820356 /nfs/dbraw/zinc/82/03/56/353820356.db2.gz YXWLPHJLTADYSZ-AXFHLTTASA-N 2 0 241.335 -0.345 20 0 BBADRP NC(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000220358045 645889931 /nfs/dbraw/zinc/88/99/31/645889931.db2.gz IZHLWWFNEHEDGK-SNVBAGLBSA-N 2 0 211.309 -0.207 20 0 BBADRP NC(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000220358114 645889951 /nfs/dbraw/zinc/88/99/51/645889951.db2.gz IZHLWWFNEHEDGK-JTQLQIEISA-N 2 0 211.309 -0.207 20 0 BBADRP COC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221156974 384090833 /nfs/dbraw/zinc/09/08/33/384090833.db2.gz DPYPIZYTGKQPTF-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221157029 384091049 /nfs/dbraw/zinc/09/10/49/384091049.db2.gz DPYPIZYTGKQPTF-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173432 635323922 /nfs/dbraw/zinc/32/39/22/635323922.db2.gz IGXIOXYIODNASG-MNOVXSKESA-N 2 0 243.351 -0.456 20 0 BBADRP C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173513 636469887 /nfs/dbraw/zinc/46/98/87/636469887.db2.gz WQTMCTRXSQSJAS-NXEZZACHSA-N 2 0 229.324 -0.846 20 0 BBADRP C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221173574 636469392 /nfs/dbraw/zinc/46/93/92/636469392.db2.gz WQTMCTRXSQSJAS-VHSXEESVSA-N 2 0 229.324 -0.846 20 0 BBADRP CN1CCC([NH2+]C[C@]2(O)CCOC2)CC1 ZINC000222423909 536344746 /nfs/dbraw/zinc/34/47/46/536344746.db2.gz DFFDHTDLONGKRI-LLVKDONJSA-N 2 0 214.309 -0.178 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223018550 592514814 /nfs/dbraw/zinc/51/48/14/592514814.db2.gz HHXRMFPAZLRADU-BBBLOLIVSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223018610 358213761 /nfs/dbraw/zinc/21/37/61/358213761.db2.gz HHXRMFPAZLRADU-OPRDCNLKSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223018669 592514803 /nfs/dbraw/zinc/51/48/03/592514803.db2.gz HHXRMFPAZLRADU-UTLUCORTSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223018729 358213795 /nfs/dbraw/zinc/21/37/95/358213795.db2.gz HHXRMFPAZLRADU-KXUCPTDWSA-N 2 0 202.298 -0.147 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000223029099 388647903 /nfs/dbraw/zinc/64/79/03/388647903.db2.gz VEKCONDEUFRPCW-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+](C)C)CC[N@@H+]1C ZINC000223285133 388649450 /nfs/dbraw/zinc/64/94/50/388649450.db2.gz GAYLXNMEXHJJRP-GRYCIOLGSA-N 3 0 229.368 -0.019 20 0 BBADRP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+](C)C)CC[N@@H+]1C ZINC000223285252 323097303 /nfs/dbraw/zinc/09/73/03/323097303.db2.gz GAYLXNMEXHJJRP-IJLUTSLNSA-N 2 0 229.368 -0.019 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000223286699 388649848 /nfs/dbraw/zinc/64/98/48/388649848.db2.gz MUKMVTBIJDXHGF-UTUOFQBUSA-N 3 0 229.368 -0.161 20 0 BBADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223731614 134338950 /nfs/dbraw/zinc/33/89/50/134338950.db2.gz NRPFFVMDFYLCFP-HBNTYKKESA-N 2 0 216.325 -0.077 20 0 BBADRP COC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000223731668 134339116 /nfs/dbraw/zinc/33/91/16/134339116.db2.gz NRPFFVMDFYLCFP-AXFHLTTASA-N 2 0 216.325 -0.077 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000224045560 173030245 /nfs/dbraw/zinc/03/02/45/173030245.db2.gz RTZMMZGHSPZREK-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000224045611 173055389 /nfs/dbraw/zinc/05/53/89/173055389.db2.gz RTZMMZGHSPZREK-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])C1 ZINC000224225654 170078482 /nfs/dbraw/zinc/07/84/82/170078482.db2.gz FVQLPMJFRIVRDI-IUCAKERBSA-N 2 0 242.323 -0.499 20 0 BBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295369 384352893 /nfs/dbraw/zinc/35/28/93/384352893.db2.gz XARKYGPWPNDGMH-IUCAKERBSA-N 2 0 242.323 -0.369 20 0 BBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295423 384350895 /nfs/dbraw/zinc/35/08/95/384350895.db2.gz XARKYGPWPNDGMH-BDAKNGLRSA-N 2 0 242.323 -0.369 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000225354050 358240604 /nfs/dbraw/zinc/24/06/04/358240604.db2.gz GVTBJUNPHAYMCJ-NSHDSACASA-N 2 0 240.351 -0.900 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000225354382 173074965 /nfs/dbraw/zinc/07/49/65/173074965.db2.gz LAKFYQQMXMSDRK-QWRGUYRKSA-N 2 0 240.351 -0.900 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000225363453 173072772 /nfs/dbraw/zinc/07/27/72/173072772.db2.gz IRDJYLAHAIDSFB-JTQLQIEISA-N 2 0 225.340 -0.491 20 0 BBADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)COC)C1 ZINC000225484748 641709317 /nfs/dbraw/zinc/70/93/17/641709317.db2.gz COBKLAOLFBTIMP-WDEREUQCSA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)COC)C1 ZINC000225484786 633016502 /nfs/dbraw/zinc/01/65/02/633016502.db2.gz COBKLAOLFBTIMP-GHMZBOCLSA-N 2 0 216.325 -0.075 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225484935 641709521 /nfs/dbraw/zinc/70/95/21/641709521.db2.gz GXWLXIFWJVFUFW-UWVGGRQHSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225484971 641709014 /nfs/dbraw/zinc/70/90/14/641709014.db2.gz GXWLXIFWJVFUFW-VHSXEESVSA-N 2 0 202.298 -0.336 20 0 BBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000225524486 384868324 /nfs/dbraw/zinc/86/83/24/384868324.db2.gz RCZFMOCBPZKDKE-MXWKQRLJSA-N 2 0 239.319 -0.984 20 0 BBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000225524515 388680004 /nfs/dbraw/zinc/68/00/04/388680004.db2.gz RCZFMOCBPZKDKE-GMTAPVOTSA-N 2 0 239.319 -0.984 20 0 BBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000225524552 259363583 /nfs/dbraw/zinc/36/35/83/259363583.db2.gz RCZFMOCBPZKDKE-OUAUKWLOSA-N 2 0 239.319 -0.984 20 0 BBADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000225865762 640713586 /nfs/dbraw/zinc/71/35/86/640713586.db2.gz HTQKYNJLUDTBTO-UWVGGRQHSA-N 2 0 202.298 -0.336 20 0 BBADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000225865779 640712774 /nfs/dbraw/zinc/71/27/74/640712774.db2.gz HTQKYNJLUDTBTO-VHSXEESVSA-N 2 0 202.298 -0.336 20 0 BBADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000225866012 640712360 /nfs/dbraw/zinc/71/23/60/640712360.db2.gz OSMQDHRPHYJMTK-QWRGUYRKSA-N 2 0 216.325 -0.075 20 0 BBADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000225866026 640713333 /nfs/dbraw/zinc/71/33/33/640713333.db2.gz OSMQDHRPHYJMTK-WDEREUQCSA-N 2 0 216.325 -0.075 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226078680 635422463 /nfs/dbraw/zinc/42/24/63/635422463.db2.gz XAQSZTVUSLLWEI-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226078691 635420896 /nfs/dbraw/zinc/42/08/96/635420896.db2.gz XAQSZTVUSLLWEI-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226078698 640727272 /nfs/dbraw/zinc/72/72/72/640727272.db2.gz XAQSZTVUSLLWEI-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226078709 635422828 /nfs/dbraw/zinc/42/28/28/635422828.db2.gz XAQSZTVUSLLWEI-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000226081052 487656630 /nfs/dbraw/zinc/65/66/30/487656630.db2.gz GQELDIIARBWJCA-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000226081065 487656169 /nfs/dbraw/zinc/65/61/69/487656169.db2.gz GQELDIIARBWJCA-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226083130 487656221 /nfs/dbraw/zinc/65/62/21/487656221.db2.gz ZLFWIOIOWAXDBN-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000226084328 173032159 /nfs/dbraw/zinc/03/21/59/173032159.db2.gz SXIXARQOZNLNOK-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000226084344 173054158 /nfs/dbraw/zinc/05/41/58/173054158.db2.gz SXIXARQOZNLNOK-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NCC[NH+]1CCSCC1 ZINC000226390231 175802700 /nfs/dbraw/zinc/80/27/00/175802700.db2.gz BGUKSZLFVKAJLI-SECBINFHSA-N 2 0 231.365 -0.111 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCC[NH+]1CCSCC1 ZINC000226390235 487730291 /nfs/dbraw/zinc/73/02/91/487730291.db2.gz BGUKSZLFVKAJLI-VIFPVBQESA-N 2 0 231.365 -0.111 20 0 BBADRP [NH3+]CCC(=O)NCC[NH+]1CCSCC1 ZINC000226390275 181367810 /nfs/dbraw/zinc/36/78/10/181367810.db2.gz SFYKXILYGWARAZ-UHFFFAOYSA-N 2 0 217.338 -0.500 20 0 BBADRP [NH3+]CCCC(=O)NCC[NH+]1CCSCC1 ZINC000226390283 134365308 /nfs/dbraw/zinc/36/53/08/134365308.db2.gz IVJJESMTRPEDIA-UHFFFAOYSA-N 2 0 231.365 -0.110 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000226394335 173031899 /nfs/dbraw/zinc/03/18/99/173031899.db2.gz RTZMMZGHSPZREK-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000226394347 173055894 /nfs/dbraw/zinc/05/58/94/173055894.db2.gz RTZMMZGHSPZREK-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000226394376 487729872 /nfs/dbraw/zinc/72/98/72/487729872.db2.gz PIVIFRMFLTXGDI-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)COCC[NH3+] ZINC000226394385 487729972 /nfs/dbraw/zinc/72/99/72/487729972.db2.gz PIVIFRMFLTXGDI-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226394666 173031972 /nfs/dbraw/zinc/03/19/72/173031972.db2.gz VGPIQSVDFBTFMW-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000226394676 173052756 /nfs/dbraw/zinc/05/27/56/173052756.db2.gz VGPIQSVDFBTFMW-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000226394800 385008442 /nfs/dbraw/zinc/00/84/42/385008442.db2.gz GHVDRROGMWKKKB-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000226394810 385009587 /nfs/dbraw/zinc/00/95/87/385009587.db2.gz GHVDRROGMWKKKB-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226394837 174331539 /nfs/dbraw/zinc/33/15/39/174331539.db2.gz ZJNLLFZCGBHJSR-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226394843 487731623 /nfs/dbraw/zinc/73/16/23/487731623.db2.gz ZJNLLFZCGBHJSR-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)COCC[NH3+] ZINC000226396857 488085548 /nfs/dbraw/zinc/08/55/48/488085548.db2.gz RTSWZOLAVCBBNW-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)COCC[NH3+] ZINC000226396864 487731099 /nfs/dbraw/zinc/73/10/99/487731099.db2.gz RTSWZOLAVCBBNW-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226396937 171306751 /nfs/dbraw/zinc/30/67/51/171306751.db2.gz AOGWHJLUNRACQM-AXFHLTTASA-N 2 0 243.351 -0.444 20 0 BBADRP CC[N@H+](CCNC(=O)COCC[NH3+])C1CC1 ZINC000226397765 487731175 /nfs/dbraw/zinc/73/11/75/487731175.db2.gz ARHROXPXDZQABZ-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000226397823 386292276 /nfs/dbraw/zinc/29/22/76/386292276.db2.gz OCKDJCVPUNYVCU-MNOVXSKESA-N 2 0 241.335 -0.690 20 0 BBADRP CC[N@H+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000226397826 385009092 /nfs/dbraw/zinc/00/90/92/385009092.db2.gz OCKDJCVPUNYVCU-GHMZBOCLSA-N 2 0 241.335 -0.690 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000226398122 385007438 /nfs/dbraw/zinc/00/74/38/385007438.db2.gz HNVBADFBNRIKRX-NSHDSACASA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@H+](CCNC(=O)C[NH2+]CCOC)C1CC1 ZINC000226398136 385009560 /nfs/dbraw/zinc/00/95/60/385009560.db2.gz MFHRNLIGXWGFLL-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@@H](CNC(=O)COCC[NH3+])[N@H+](C)C1CC1 ZINC000226399064 487734218 /nfs/dbraw/zinc/73/42/18/487734218.db2.gz PZPZNYIHXQQRPS-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H](CNC(=O)COCC[NH3+])[N@H+](C)C1CC1 ZINC000226399069 487734767 /nfs/dbraw/zinc/73/47/67/487734767.db2.gz PZPZNYIHXQQRPS-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC000226399153 385008912 /nfs/dbraw/zinc/00/89/12/385008912.db2.gz YBJCXTVCVIYWKV-IEBDPFPHSA-N 2 0 241.335 -0.692 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC000226399159 388718598 /nfs/dbraw/zinc/71/85/98/388718598.db2.gz YBJCXTVCVIYWKV-JMJZKYOTSA-N 2 0 241.335 -0.692 20 0 BBADRP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC000226399165 385008637 /nfs/dbraw/zinc/00/86/37/385008637.db2.gz YBJCXTVCVIYWKV-FBIMIBRVSA-N 2 0 241.335 -0.692 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000226399519 385008020 /nfs/dbraw/zinc/00/80/20/385008020.db2.gz GIHCSOOJIDKGMK-ONGXEEELSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@H+](C)C1CC1 ZINC000226399526 385008761 /nfs/dbraw/zinc/00/87/61/385008761.db2.gz GIHCSOOJIDKGMK-KOLCDFICSA-N 2 0 241.335 -0.426 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399538 174330780 /nfs/dbraw/zinc/33/07/80/174330780.db2.gz FBCKOJJVECDYSY-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399543 174331026 /nfs/dbraw/zinc/33/10/26/174331026.db2.gz FBCKOJJVECDYSY-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)COCC[NH3+] ZINC000226407341 487735982 /nfs/dbraw/zinc/73/59/82/487735982.db2.gz ZCDCGTFDYHKDSE-UHFFFAOYSA-N 2 0 231.340 -0.190 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226407392 169121281 /nfs/dbraw/zinc/12/12/81/169121281.db2.gz YEFWJYVJDYUFOI-MNOVXSKESA-N 2 0 243.351 -0.443 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000226407399 169120523 /nfs/dbraw/zinc/12/05/23/169120523.db2.gz YEFWJYVJDYUFOI-GHMZBOCLSA-N 2 0 243.351 -0.443 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000226407745 169121653 /nfs/dbraw/zinc/12/16/53/169121653.db2.gz FFHATRFRXJQIDT-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000226409803 173075649 /nfs/dbraw/zinc/07/56/49/173075649.db2.gz LAKFYQQMXMSDRK-WDEREUQCSA-N 2 0 240.351 -0.900 20 0 BBADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000226439173 487746900 /nfs/dbraw/zinc/74/69/00/487746900.db2.gz JZYDROFJKLNWEX-VHSXEESVSA-N 2 0 213.325 -0.090 20 0 BBADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000226439177 487611587 /nfs/dbraw/zinc/61/15/87/487611587.db2.gz JZYDROFJKLNWEX-NXEZZACHSA-N 2 0 213.325 -0.090 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCOC ZINC000226518534 635432766 /nfs/dbraw/zinc/43/27/66/635432766.db2.gz FEKXRIHKXMEFCR-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP Cn1nncc1C[NH2+]CCOCC[NH+](C)C ZINC000226744804 134370681 /nfs/dbraw/zinc/37/06/81/134370681.db2.gz KXSMNQDWSXWMOJ-UHFFFAOYSA-N 2 0 227.312 -0.517 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000226826679 181395485 /nfs/dbraw/zinc/39/54/85/181395485.db2.gz KQLYKGMFCXCSFN-GUBZILKMSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000226826686 181395359 /nfs/dbraw/zinc/39/53/59/181395359.db2.gz KQLYKGMFCXCSFN-UTLUCORTSA-N 2 0 211.309 -0.018 20 0 BBADRP OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226832357 134369763 /nfs/dbraw/zinc/36/97/63/134369763.db2.gz YOOIRNKENXRBQY-GMTAPVOTSA-N 2 0 214.309 -0.444 20 0 BBADRP OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226832364 134370087 /nfs/dbraw/zinc/37/00/87/134370087.db2.gz YOOIRNKENXRBQY-HBNTYKKESA-N 2 0 214.309 -0.444 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074104 173286448 /nfs/dbraw/zinc/28/64/48/173286448.db2.gz UTMQASPZYNTVBK-DTWKUNHWSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074198 173287418 /nfs/dbraw/zinc/28/74/18/173287418.db2.gz UGHGKRVSWQQUGX-JGVFFNPUSA-N 2 0 228.296 -0.889 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074462 640814937 /nfs/dbraw/zinc/81/49/37/640814937.db2.gz LDEFETMCSSSGRL-LPEHRKFASA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074467 640815811 /nfs/dbraw/zinc/81/58/11/640815811.db2.gz LDEFETMCSSSGRL-IVZWLZJFSA-N 2 0 202.298 -0.337 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000227117175 487544418 /nfs/dbraw/zinc/54/44/18/487544418.db2.gz CQIYXPRZNDYSSV-MXWKQRLJSA-N 2 0 214.309 -0.003 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000227117181 487544673 /nfs/dbraw/zinc/54/46/73/487544673.db2.gz CQIYXPRZNDYSSV-VWYCJHECSA-N 2 0 214.309 -0.003 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000227181666 358350846 /nfs/dbraw/zinc/35/08/46/358350846.db2.gz TUAYFZCYQFSKQU-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000227182209 385096830 /nfs/dbraw/zinc/09/68/30/385096830.db2.gz BDZVUCINRBXAIT-ZJUUUORDSA-N 2 0 229.324 -0.834 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000227182218 188154890 /nfs/dbraw/zinc/15/48/90/188154890.db2.gz BDZVUCINRBXAIT-NXEZZACHSA-N 2 0 229.324 -0.834 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227213688 640821447 /nfs/dbraw/zinc/82/14/47/640821447.db2.gz HHSQDACWPIXKIZ-OPRDCNLKSA-N 2 0 202.298 -0.337 20 0 BBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH3+])CC[C@H]21 ZINC000227332842 536377334 /nfs/dbraw/zinc/37/73/34/536377334.db2.gz XIVQRHTUXOEDPV-NXEZZACHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C[NH3+])CC[C@H]21 ZINC000227332851 134377840 /nfs/dbraw/zinc/37/78/40/134377840.db2.gz XIVQRHTUXOEDPV-VHSXEESVSA-N 2 0 211.309 -0.112 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H](C[NH3+])OC ZINC000227342000 535537307 /nfs/dbraw/zinc/53/73/07/535537307.db2.gz XSOLVQDJSFGPHE-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H](C[NH3+])OC ZINC000227342006 134378313 /nfs/dbraw/zinc/37/83/13/134378313.db2.gz XSOLVQDJSFGPHE-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000227342686 134378150 /nfs/dbraw/zinc/37/81/50/134378150.db2.gz MOXSYYIOMLTQDA-VIFPVBQESA-N 2 0 231.340 -0.336 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000227342690 536559145 /nfs/dbraw/zinc/55/91/45/536559145.db2.gz MOXSYYIOMLTQDA-SECBINFHSA-N 2 0 231.340 -0.336 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@@H](C[NH3+])OC ZINC000227344634 535516915 /nfs/dbraw/zinc/51/69/15/535516915.db2.gz RHJPTJOGXYESIN-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@H](C[NH3+])OC ZINC000227344640 134377861 /nfs/dbraw/zinc/37/78/61/134377861.db2.gz RHJPTJOGXYESIN-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP C[N@@H+]1CCC[C@@H]2CN(CC(N)=O)CC[C@H]21 ZINC000227344817 134378227 /nfs/dbraw/zinc/37/82/27/134378227.db2.gz LBCSEWNYISUTCM-NXEZZACHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CCC[C@H]2CN(CC(N)=O)CC[C@H]21 ZINC000227344825 134377958 /nfs/dbraw/zinc/37/79/58/134377958.db2.gz LBCSEWNYISUTCM-VHSXEESVSA-N 2 0 211.309 -0.112 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH+](C)C ZINC000227345003 134378065 /nfs/dbraw/zinc/37/80/65/134378065.db2.gz RMKAMGXDFAFYLO-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCCC[NH+](C)C ZINC000227345012 536558616 /nfs/dbraw/zinc/55/86/16/536558616.db2.gz RMKAMGXDFAFYLO-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000227345021 345252866 /nfs/dbraw/zinc/25/28/66/345252866.db2.gz NWOFFJPTACTLNI-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000227345034 345252939 /nfs/dbraw/zinc/25/29/39/345252939.db2.gz NWOFFJPTACTLNI-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000227346638 388748633 /nfs/dbraw/zinc/74/86/33/388748633.db2.gz ZALATYXIFLTTSV-VIFPVBQESA-N 2 0 215.297 -0.876 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000227346647 388749532 /nfs/dbraw/zinc/74/95/32/388749532.db2.gz ZALATYXIFLTTSV-SECBINFHSA-N 2 0 215.297 -0.876 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000227347751 134378204 /nfs/dbraw/zinc/37/82/04/134378204.db2.gz DZRFEZZJYOANAT-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000227347762 536558378 /nfs/dbraw/zinc/55/83/78/536558378.db2.gz DZRFEZZJYOANAT-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000227347775 134378155 /nfs/dbraw/zinc/37/81/55/134378155.db2.gz GJNZMWUVWYTKFE-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000227347781 536558749 /nfs/dbraw/zinc/55/87/49/536558749.db2.gz GJNZMWUVWYTKFE-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000227349355 134378643 /nfs/dbraw/zinc/37/86/43/134378643.db2.gz MBHONKUTOFTMKP-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000227350344 345252937 /nfs/dbraw/zinc/25/29/37/345252937.db2.gz MBCSXNZDNYMQNC-LLVKDONJSA-N 2 0 243.351 -0.097 20 0 BBADRP CC[NH+]1CCC(N(C)C(=O)[C@H](C[NH3+])OC)CC1 ZINC000227350351 345252901 /nfs/dbraw/zinc/25/29/01/345252901.db2.gz MBCSXNZDNYMQNC-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000227351481 387956365 /nfs/dbraw/zinc/95/63/65/387956365.db2.gz CYYDFISYXFECEF-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000227351487 174858234 /nfs/dbraw/zinc/85/82/34/174858234.db2.gz CYYDFISYXFECEF-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000227351494 387956661 /nfs/dbraw/zinc/95/66/61/387956661.db2.gz CYYDFISYXFECEF-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000227351500 387957510 /nfs/dbraw/zinc/95/75/10/387957510.db2.gz CYYDFISYXFECEF-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227355533 640830107 /nfs/dbraw/zinc/83/01/07/640830107.db2.gz UYUJAXVOIBLIFX-VWYCJHECSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227355544 640830087 /nfs/dbraw/zinc/83/00/87/640830087.db2.gz UYUJAXVOIBLIFX-DCAQKATOSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000227358279 388749218 /nfs/dbraw/zinc/74/92/18/388749218.db2.gz OKKFBYVVRMFARV-NSHDSACASA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000227358285 388748995 /nfs/dbraw/zinc/74/89/95/388748995.db2.gz OKKFBYVVRMFARV-LLVKDONJSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227360072 170008138 /nfs/dbraw/zinc/00/81/38/170008138.db2.gz DGIVEMOFAXQNFC-VHSXEESVSA-N 2 0 229.324 -0.582 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227360080 170015960 /nfs/dbraw/zinc/01/59/60/170015960.db2.gz DGIVEMOFAXQNFC-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227365898 385123479 /nfs/dbraw/zinc/12/34/79/385123479.db2.gz AKOVLVZLONUAAF-ZJUUUORDSA-N 2 0 227.308 -0.733 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227365906 385123421 /nfs/dbraw/zinc/12/34/21/385123421.db2.gz AKOVLVZLONUAAF-NXEZZACHSA-N 2 0 227.308 -0.733 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000227366917 385122226 /nfs/dbraw/zinc/12/22/26/385122226.db2.gz VMWCMTVICXDZFT-NSHDSACASA-N 2 0 241.335 -0.486 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000227366925 385123005 /nfs/dbraw/zinc/12/30/05/385123005.db2.gz VMWCMTVICXDZFT-LLVKDONJSA-N 2 0 241.335 -0.486 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000227368062 385124430 /nfs/dbraw/zinc/12/44/30/385124430.db2.gz VXNBBHGCUFWISV-NSHDSACASA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000227368071 385123633 /nfs/dbraw/zinc/12/36/33/385123633.db2.gz VXNBBHGCUFWISV-LLVKDONJSA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000227369145 385122491 /nfs/dbraw/zinc/12/24/91/385122491.db2.gz KUPLEWNWXCQQRX-NSHDSACASA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000227369151 386481422 /nfs/dbraw/zinc/48/14/22/386481422.db2.gz KUPLEWNWXCQQRX-LLVKDONJSA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000227370413 134378628 /nfs/dbraw/zinc/37/86/28/134378628.db2.gz SODRHSFIQHUKPS-SFYZADRCSA-N 2 0 203.286 -0.974 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000227370420 134378662 /nfs/dbraw/zinc/37/86/62/134378662.db2.gz SODRHSFIQHUKPS-HTQZYQBOSA-N 2 0 203.286 -0.974 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000227370427 134378959 /nfs/dbraw/zinc/37/89/59/134378959.db2.gz SODRHSFIQHUKPS-YUMQZZPRSA-N 2 0 203.286 -0.974 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000227370432 134378808 /nfs/dbraw/zinc/37/88/08/134378808.db2.gz SODRHSFIQHUKPS-JGVFFNPUSA-N 2 0 203.286 -0.974 20 0 BBADRP CC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000227370558 345252435 /nfs/dbraw/zinc/25/24/35/345252435.db2.gz NBZYMMSLIQWRLF-SNVBAGLBSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[NH+]1CCC(NC(=O)[C@H](C[NH3+])OC)CC1 ZINC000227370563 350493593 /nfs/dbraw/zinc/49/35/93/350493593.db2.gz NBZYMMSLIQWRLF-JTQLQIEISA-N 2 0 229.324 -0.439 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227373162 345252422 /nfs/dbraw/zinc/25/24/22/345252422.db2.gz KDZWVYWVFRYUAE-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C[NH3+])OC)C1 ZINC000227373168 345252280 /nfs/dbraw/zinc/25/22/80/345252280.db2.gz KDZWVYWVFRYUAE-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000227373218 358354989 /nfs/dbraw/zinc/35/49/89/358354989.db2.gz WYBHUTRNQYFGNW-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000227373223 358355301 /nfs/dbraw/zinc/35/53/01/358355301.db2.gz WYBHUTRNQYFGNW-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000227373226 350493968 /nfs/dbraw/zinc/49/39/68/350493968.db2.gz WYBHUTRNQYFGNW-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000227373231 358354974 /nfs/dbraw/zinc/35/49/74/358354974.db2.gz WYBHUTRNQYFGNW-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000227373294 641761287 /nfs/dbraw/zinc/76/12/87/641761287.db2.gz NQSZCNJFZMXJFT-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000227373301 711832317 /nfs/dbraw/zinc/83/23/17/711832317.db2.gz NQSZCNJFZMXJFT-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000227373458 358354865 /nfs/dbraw/zinc/35/48/65/358354865.db2.gz ASWWNGQTJLAJKQ-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000227373462 358354727 /nfs/dbraw/zinc/35/47/27/358354727.db2.gz ASWWNGQTJLAJKQ-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000227373502 711832279 /nfs/dbraw/zinc/83/22/79/711832279.db2.gz AMNMJHDSKNGOKB-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000227373828 134378806 /nfs/dbraw/zinc/37/88/06/134378806.db2.gz UASCGNUHJWRXDX-QMMMGPOBSA-N 2 0 217.313 -0.584 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000227373833 536558785 /nfs/dbraw/zinc/55/87/85/536558785.db2.gz UASCGNUHJWRXDX-MRVPVSSYSA-N 2 0 217.313 -0.584 20 0 BBADRP CCC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000227374523 169187812 /nfs/dbraw/zinc/18/78/12/169187812.db2.gz KQXVDXLFEZNMCV-LLVKDONJSA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[NH+]1CCC(NC(=O)[C@H](C[NH3+])OC)CC1 ZINC000227374529 169187843 /nfs/dbraw/zinc/18/78/43/169187843.db2.gz KQXVDXLFEZNMCV-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000227378232 134379342 /nfs/dbraw/zinc/37/93/42/134379342.db2.gz JLXWJQFMJODMDU-IUCAKERBSA-N 2 0 217.313 -0.584 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000227378240 134379493 /nfs/dbraw/zinc/37/94/93/134379493.db2.gz JLXWJQFMJODMDU-DTWKUNHWSA-N 2 0 217.313 -0.584 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000227378246 134379480 /nfs/dbraw/zinc/37/94/80/134379480.db2.gz JLXWJQFMJODMDU-BDAKNGLRSA-N 2 0 217.313 -0.584 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000227378251 134378976 /nfs/dbraw/zinc/37/89/76/134378976.db2.gz JLXWJQFMJODMDU-RKDXNWHRSA-N 2 0 217.313 -0.584 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000227378298 385127972 /nfs/dbraw/zinc/12/79/72/385127972.db2.gz NSWQUPZWXYZNGO-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000227378305 385127598 /nfs/dbraw/zinc/12/75/98/385127598.db2.gz NSWQUPZWXYZNGO-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000227378952 385127281 /nfs/dbraw/zinc/12/72/81/385127281.db2.gz JVDPATVMQOWIGD-JTQLQIEISA-N 2 0 229.324 -0.582 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000227378956 385128079 /nfs/dbraw/zinc/12/80/79/385128079.db2.gz JVDPATVMQOWIGD-SNVBAGLBSA-N 2 0 229.324 -0.582 20 0 BBADRP CC[NH+]1CCC(CNC(=O)[C@@H](C[NH3+])OC)CC1 ZINC000227378965 358354691 /nfs/dbraw/zinc/35/46/91/358354691.db2.gz QJFXYWKYDOHUSO-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[NH+]1CCC(CNC(=O)[C@H](C[NH3+])OC)CC1 ZINC000227378967 358354902 /nfs/dbraw/zinc/35/49/02/358354902.db2.gz QJFXYWKYDOHUSO-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000227378972 358355312 /nfs/dbraw/zinc/35/53/12/358355312.db2.gz NTUFWXKGTVQKKT-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000227378976 358354813 /nfs/dbraw/zinc/35/48/13/358354813.db2.gz NTUFWXKGTVQKKT-VHSXEESVSA-N 2 0 229.324 -0.582 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000227378982 358355154 /nfs/dbraw/zinc/35/51/54/358355154.db2.gz NTUFWXKGTVQKKT-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000227378988 358354583 /nfs/dbraw/zinc/35/45/83/358354583.db2.gz NTUFWXKGTVQKKT-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227379148 632425129 /nfs/dbraw/zinc/42/51/29/632425129.db2.gz ZOZKIVLGJYNDPJ-SCZZXKLOSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227379163 640830915 /nfs/dbraw/zinc/83/09/15/640830915.db2.gz ZOZKIVLGJYNDPJ-WPRPVWTQSA-N 2 0 227.308 -0.687 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C[NH3+])OC ZINC000227379695 134379176 /nfs/dbraw/zinc/37/91/76/134379176.db2.gz FABHNDBLTBTCHV-NXEZZACHSA-N 2 0 231.340 -0.193 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C[NH3+])OC ZINC000227379703 134379541 /nfs/dbraw/zinc/37/95/41/134379541.db2.gz FABHNDBLTBTCHV-VHSXEESVSA-N 2 0 231.340 -0.193 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000227379710 535576454 /nfs/dbraw/zinc/57/64/54/535576454.db2.gz FABHNDBLTBTCHV-ZJUUUORDSA-N 2 0 231.340 -0.193 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000227379720 134379068 /nfs/dbraw/zinc/37/90/68/134379068.db2.gz FABHNDBLTBTCHV-UWVGGRQHSA-N 2 0 231.340 -0.193 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](C[NH3+])OC ZINC000227379733 358355092 /nfs/dbraw/zinc/35/50/92/358355092.db2.gz REULKYBPUIHMHQ-SNVBAGLBSA-N 2 0 231.340 -0.240 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)[C@H](C[NH3+])OC ZINC000227379744 358355221 /nfs/dbraw/zinc/35/52/21/358355221.db2.gz REULKYBPUIHMHQ-JTQLQIEISA-N 2 0 231.340 -0.240 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000227381303 536559330 /nfs/dbraw/zinc/55/93/30/536559330.db2.gz OFPMBZRGVAGNKG-SECBINFHSA-N 2 0 217.313 -0.584 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000227382086 358354706 /nfs/dbraw/zinc/35/47/06/358354706.db2.gz CMQHVTLREGUESJ-ZJUUUORDSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000227382092 358355018 /nfs/dbraw/zinc/35/50/18/358355018.db2.gz CMQHVTLREGUESJ-NXEZZACHSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000227382098 358354837 /nfs/dbraw/zinc/35/48/37/358354837.db2.gz CMQHVTLREGUESJ-UWVGGRQHSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000227382104 358354792 /nfs/dbraw/zinc/35/47/92/358354792.db2.gz CMQHVTLREGUESJ-VHSXEESVSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000227382374 640831550 /nfs/dbraw/zinc/83/15/50/640831550.db2.gz GGDAWFXRIKTGEV-VIFPVBQESA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000227382459 134379503 /nfs/dbraw/zinc/37/95/03/134379503.db2.gz DPENQSVQHHVILM-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000227382465 134379036 /nfs/dbraw/zinc/37/90/36/134379036.db2.gz DPENQSVQHHVILM-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000227382468 134379299 /nfs/dbraw/zinc/37/92/99/134379299.db2.gz DPENQSVQHHVILM-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000227382475 134379063 /nfs/dbraw/zinc/37/90/63/134379063.db2.gz DPENQSVQHHVILM-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000227383053 358354965 /nfs/dbraw/zinc/35/49/65/358354965.db2.gz CDSCCHABIJEUQJ-BDAKNGLRSA-N 2 0 215.297 -0.877 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000227383056 358354764 /nfs/dbraw/zinc/35/47/64/358354764.db2.gz CDSCCHABIJEUQJ-RKDXNWHRSA-N 2 0 215.297 -0.877 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000227383061 358354648 /nfs/dbraw/zinc/35/46/48/358354648.db2.gz CDSCCHABIJEUQJ-IUCAKERBSA-N 2 0 215.297 -0.877 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000227383068 358354606 /nfs/dbraw/zinc/35/46/06/358354606.db2.gz CDSCCHABIJEUQJ-DTWKUNHWSA-N 2 0 215.297 -0.877 20 0 BBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000227383084 640831274 /nfs/dbraw/zinc/83/12/74/640831274.db2.gz GWYBPNQFYLYYSU-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000227383086 631388876 /nfs/dbraw/zinc/38/88/76/631388876.db2.gz GWYBPNQFYLYYSU-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000227383094 358355065 /nfs/dbraw/zinc/35/50/65/358355065.db2.gz WGMMQJSHWLRBQB-MNOVXSKESA-N 2 0 241.335 -0.343 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000227383099 358355132 /nfs/dbraw/zinc/35/51/32/358355132.db2.gz WGMMQJSHWLRBQB-GHMZBOCLSA-N 2 0 241.335 -0.343 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000227383106 358355258 /nfs/dbraw/zinc/35/52/58/358355258.db2.gz WGMMQJSHWLRBQB-QWRGUYRKSA-N 2 0 241.335 -0.343 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000227383110 358355332 /nfs/dbraw/zinc/35/53/32/358355332.db2.gz WGMMQJSHWLRBQB-WDEREUQCSA-N 2 0 241.335 -0.343 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000227383283 358355034 /nfs/dbraw/zinc/35/50/34/358355034.db2.gz KYZFSRHZVMKKKK-NSHDSACASA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000227383289 358354770 /nfs/dbraw/zinc/35/47/70/358354770.db2.gz KYZFSRHZVMKKKK-LLVKDONJSA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000227383574 385135105 /nfs/dbraw/zinc/13/51/05/385135105.db2.gz RJEUNLHAURNIFS-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000227383579 385133848 /nfs/dbraw/zinc/13/38/48/385133848.db2.gz RJEUNLHAURNIFS-LLVKDONJSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000227388614 385133467 /nfs/dbraw/zinc/13/34/67/385133467.db2.gz MUMAHAFVHIELNJ-ZJUUUORDSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000227388620 385136260 /nfs/dbraw/zinc/13/62/60/385136260.db2.gz MUMAHAFVHIELNJ-NXEZZACHSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000227388627 385138583 /nfs/dbraw/zinc/13/85/83/385138583.db2.gz MUMAHAFVHIELNJ-UWVGGRQHSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000227388634 385137091 /nfs/dbraw/zinc/13/70/91/385137091.db2.gz MUMAHAFVHIELNJ-VHSXEESVSA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000227389820 358355741 /nfs/dbraw/zinc/35/57/41/358355741.db2.gz JYUVDYQGLXKRQM-VWYCJHECSA-N 2 0 241.335 -0.345 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000227389830 358355584 /nfs/dbraw/zinc/35/55/84/358355584.db2.gz JYUVDYQGLXKRQM-OUAUKWLOSA-N 2 0 241.335 -0.345 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C[NH3+])OC ZINC000227390594 345254403 /nfs/dbraw/zinc/25/44/03/345254403.db2.gz XVEBDEHAMGIQLU-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C[NH3+])OC ZINC000227390603 345254676 /nfs/dbraw/zinc/25/46/76/345254676.db2.gz XVEBDEHAMGIQLU-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227391345 385137336 /nfs/dbraw/zinc/13/73/36/385137336.db2.gz KFIXIEUVKALHTR-GARJFASQSA-N 2 0 241.335 -0.345 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227391354 385136072 /nfs/dbraw/zinc/13/60/72/385136072.db2.gz KFIXIEUVKALHTR-HBNTYKKESA-N 2 0 241.335 -0.345 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H](C[NH3+])OC ZINC000227392004 358355596 /nfs/dbraw/zinc/35/55/96/358355596.db2.gz HXWXRWHGMMKVDV-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@H](C[NH3+])OC ZINC000227392011 358355606 /nfs/dbraw/zinc/35/56/06/358355606.db2.gz HXWXRWHGMMKVDV-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000227394579 358356211 /nfs/dbraw/zinc/35/62/11/358356211.db2.gz SOSAXCHYPICCKP-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000227394590 358356139 /nfs/dbraw/zinc/35/61/39/358356139.db2.gz SOSAXCHYPICCKP-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000227394594 358356069 /nfs/dbraw/zinc/35/60/69/358356069.db2.gz SOSAXCHYPICCKP-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000227394601 358356175 /nfs/dbraw/zinc/35/61/75/358356175.db2.gz SOSAXCHYPICCKP-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000227399736 174725110 /nfs/dbraw/zinc/72/51/10/174725110.db2.gz XMXXCTDAOSAAFO-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000227399743 385137800 /nfs/dbraw/zinc/13/78/00/385137800.db2.gz XMXXCTDAOSAAFO-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000227409923 398051310 /nfs/dbraw/zinc/05/13/10/398051310.db2.gz ZPSSDINZXWZFBN-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000227409932 398051241 /nfs/dbraw/zinc/05/12/41/398051241.db2.gz ZPSSDINZXWZFBN-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](C[NH3+])OC ZINC000227412151 358356056 /nfs/dbraw/zinc/35/60/56/358356056.db2.gz IELYHWPTTYQGPK-SNVBAGLBSA-N 2 0 231.340 -0.240 20 0 BBADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C[NH3+])OC ZINC000227412157 358356047 /nfs/dbraw/zinc/35/60/47/358356047.db2.gz IELYHWPTTYQGPK-JTQLQIEISA-N 2 0 231.340 -0.240 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H](C[NH3+])OC)C1CC1 ZINC000227419333 385142164 /nfs/dbraw/zinc/14/21/64/385142164.db2.gz RYARTXSMHQHIFF-SNVBAGLBSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[N@H+](CCNC(=O)[C@H](C[NH3+])OC)C1CC1 ZINC000227419343 385140773 /nfs/dbraw/zinc/14/07/73/385140773.db2.gz RYARTXSMHQHIFF-JTQLQIEISA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000227419357 385141523 /nfs/dbraw/zinc/14/15/23/385141523.db2.gz SNVMBEDVGHHKJQ-SCZZXKLOSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000227419364 385141207 /nfs/dbraw/zinc/14/12/07/385141207.db2.gz SNVMBEDVGHHKJQ-PSASIEDQSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000227419368 385140743 /nfs/dbraw/zinc/14/07/43/385140743.db2.gz SNVMBEDVGHHKJQ-WPRPVWTQSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000227419373 385141886 /nfs/dbraw/zinc/14/18/86/385141886.db2.gz SNVMBEDVGHHKJQ-WCBMZHEXSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000227419664 388751738 /nfs/dbraw/zinc/75/17/38/388751738.db2.gz HAGIXQPDZBXEFK-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000227419673 388751107 /nfs/dbraw/zinc/75/11/07/388751107.db2.gz HAGIXQPDZBXEFK-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000227419682 388751013 /nfs/dbraw/zinc/75/10/13/388751013.db2.gz HAGIXQPDZBXEFK-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000227419693 388751695 /nfs/dbraw/zinc/75/16/95/388751695.db2.gz HAGIXQPDZBXEFK-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227456386 173328029 /nfs/dbraw/zinc/32/80/29/173328029.db2.gz LJJPWSSKBJUAPJ-UWVGGRQHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000227657481 172523018 /nfs/dbraw/zinc/52/30/18/172523018.db2.gz XCDXLYWKMPGBMD-MXWKQRLJSA-N 2 0 241.335 -0.738 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000227657496 385184708 /nfs/dbraw/zinc/18/47/08/385184708.db2.gz XCDXLYWKMPGBMD-GMTAPVOTSA-N 2 0 241.335 -0.738 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000227657500 134389620 /nfs/dbraw/zinc/38/96/20/134389620.db2.gz XCDXLYWKMPGBMD-HBNTYKKESA-N 2 0 241.335 -0.738 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227708272 711832585 /nfs/dbraw/zinc/83/25/85/711832585.db2.gz OTNZXJZQLCYFCB-IVZWLZJFSA-N 2 0 202.298 -0.195 20 0 BBADRP C[NH+](C)C[C@@](C)(O)C[NH2+]CC1(C)COC1 ZINC000227923855 388761048 /nfs/dbraw/zinc/76/10/48/388761048.db2.gz WIVSQOSNYLRCOE-NSHDSACASA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH+](C)C[C@](C)(O)C[NH2+]CC1(C)COC1 ZINC000227923860 535973401 /nfs/dbraw/zinc/97/34/01/535973401.db2.gz WIVSQOSNYLRCOE-LLVKDONJSA-N 2 0 216.325 -0.075 20 0 BBADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CO)CC[C@H]21 ZINC000228128797 711833726 /nfs/dbraw/zinc/83/37/26/711833726.db2.gz RQLYIAKMLJHCRT-IJLUTSLNSA-N 2 0 228.336 -0.244 20 0 BBADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H](O)CO)CC[C@H]21 ZINC000228128809 711833771 /nfs/dbraw/zinc/83/37/71/711833771.db2.gz RQLYIAKMLJHCRT-QJPTWQEYSA-N 2 0 228.336 -0.244 20 0 BBADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547108 387102366 /nfs/dbraw/zinc/10/23/66/387102366.db2.gz YKLJCGUFSBHRLY-IVZWLZJFSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547899 358377467 /nfs/dbraw/zinc/37/74/67/358377467.db2.gz XDCDLURVSQBQFA-UTINFBMNSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000228592029 387095313 /nfs/dbraw/zinc/09/53/13/387095313.db2.gz PEYWLRUSDUZVFB-WDEREUQCSA-N 2 0 243.351 -0.633 20 0 BBADRP C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)[C@H](C)CO ZINC000228592035 387095760 /nfs/dbraw/zinc/09/57/60/387095760.db2.gz PEYWLRUSDUZVFB-GHMZBOCLSA-N 2 0 243.351 -0.633 20 0 BBADRP C[C@@H](CO)[C@H](C)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000228592042 387095287 /nfs/dbraw/zinc/09/52/87/387095287.db2.gz PEYWLRUSDUZVFB-QWRGUYRKSA-N 2 0 243.351 -0.633 20 0 BBADRP C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000228592047 387095625 /nfs/dbraw/zinc/09/56/25/387095625.db2.gz PEYWLRUSDUZVFB-MNOVXSKESA-N 2 0 243.351 -0.633 20 0 BBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCC[NH3+] ZINC000228908267 358386984 /nfs/dbraw/zinc/38/69/84/358386984.db2.gz KQMZXJLAXJSEPM-YGOYTEALSA-N 2 0 241.335 -0.406 20 0 BBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCC[NH3+] ZINC000228908291 358387267 /nfs/dbraw/zinc/38/72/67/358387267.db2.gz KQMZXJLAXJSEPM-KBVBSXBZSA-N 2 0 241.335 -0.406 20 0 BBADRP COC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000229057491 358345174 /nfs/dbraw/zinc/34/51/74/358345174.db2.gz LQMSPXMLPKPJNB-BBBLOLIVSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000229057507 358345044 /nfs/dbraw/zinc/34/50/44/358345044.db2.gz LQMSPXMLPKPJNB-UTLUCORTSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229093199 640921185 /nfs/dbraw/zinc/92/11/85/640921185.db2.gz XCAJHMOZGXTPEU-OUAUKWLOSA-N 2 0 216.325 -0.090 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000229093237 388780377 /nfs/dbraw/zinc/78/03/77/388780377.db2.gz PSSBKMGLJBQYHM-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000229093249 388780492 /nfs/dbraw/zinc/78/04/92/388780492.db2.gz PSSBKMGLJBQYHM-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP COC[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000229094793 640921740 /nfs/dbraw/zinc/92/17/40/640921740.db2.gz CDTGETHVYVDXBH-LLVKDONJSA-N 2 0 216.325 -0.075 20 0 BBADRP COC[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000229094803 640921450 /nfs/dbraw/zinc/92/14/50/640921450.db2.gz CDTGETHVYVDXBH-NSHDSACASA-N 2 0 216.325 -0.075 20 0 BBADRP CN1CC[C@@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000229256150 640939378 /nfs/dbraw/zinc/93/93/78/640939378.db2.gz HQVCIFRQHWXKKM-NXEZZACHSA-N 2 0 211.309 -0.112 20 0 BBADRP CN1CC[C@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000229256162 640939452 /nfs/dbraw/zinc/93/94/52/640939452.db2.gz HQVCIFRQHWXKKM-ZJUUUORDSA-N 2 0 211.309 -0.112 20 0 BBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256346 640939926 /nfs/dbraw/zinc/93/99/26/640939926.db2.gz VKSZYORQMAJTPC-RKDXNWHRSA-N 2 0 242.323 -0.499 20 0 BBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256357 640939790 /nfs/dbraw/zinc/93/97/90/640939790.db2.gz VKSZYORQMAJTPC-DTWKUNHWSA-N 2 0 242.323 -0.499 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000229944242 640996145 /nfs/dbraw/zinc/99/61/45/640996145.db2.gz SJWAFFPCZBMDRR-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229975961 487625280 /nfs/dbraw/zinc/62/52/80/487625280.db2.gz ILKGZGHTVLEMSK-GHMZBOCLSA-N 2 0 216.325 -0.196 20 0 BBADRP CC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229975966 358387992 /nfs/dbraw/zinc/38/79/92/358387992.db2.gz ILKGZGHTVLEMSK-WDEREUQCSA-N 2 0 216.325 -0.196 20 0 BBADRP CC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229975970 488030223 /nfs/dbraw/zinc/03/02/23/488030223.db2.gz ILKGZGHTVLEMSK-MNOVXSKESA-N 2 0 216.325 -0.196 20 0 BBADRP CC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229975973 358387819 /nfs/dbraw/zinc/38/78/19/358387819.db2.gz ILKGZGHTVLEMSK-QWRGUYRKSA-N 2 0 216.325 -0.196 20 0 BBADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CO)CC[C@@H]21 ZINC000230072954 641013103 /nfs/dbraw/zinc/01/31/03/641013103.db2.gz RQLYIAKMLJHCRT-UTUOFQBUSA-N 2 0 228.336 -0.244 20 0 BBADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@@H](O)CO)CC[C@@H]21 ZINC000230072958 641012413 /nfs/dbraw/zinc/01/24/13/641012413.db2.gz RQLYIAKMLJHCRT-TUAOUCFPSA-N 2 0 228.336 -0.244 20 0 BBADRP COC[C@@H](O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000230157574 488063024 /nfs/dbraw/zinc/06/30/24/488063024.db2.gz QSGFEVLOCOYCET-NWDGAFQWSA-N 2 0 246.351 -0.570 20 0 BBADRP COC[C@H](O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000230157580 488062887 /nfs/dbraw/zinc/06/28/87/488062887.db2.gz QSGFEVLOCOYCET-VXGBXAGGSA-N 2 0 246.351 -0.570 20 0 BBADRP COC[C@@H](O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000230157587 488062997 /nfs/dbraw/zinc/06/29/97/488062997.db2.gz QSGFEVLOCOYCET-RYUDHWBXSA-N 2 0 246.351 -0.570 20 0 BBADRP COC[C@H](O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000230157592 488063522 /nfs/dbraw/zinc/06/35/22/488063522.db2.gz QSGFEVLOCOYCET-NEPJUHHUSA-N 2 0 246.351 -0.570 20 0 BBADRP CC(C)(CC(N)=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000230650773 641074989 /nfs/dbraw/zinc/07/49/89/641074989.db2.gz AMOGDMQZFWHFMQ-SNVBAGLBSA-N 2 0 243.351 -0.313 20 0 BBADRP CC(C)(CC(N)=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000230650778 641076247 /nfs/dbraw/zinc/07/62/47/641076247.db2.gz AMOGDMQZFWHFMQ-JTQLQIEISA-N 2 0 243.351 -0.313 20 0 BBADRP CCN(CCC[NH+](C)C)C(=O)COCC[NH3+] ZINC000230711168 488109456 /nfs/dbraw/zinc/10/94/56/488109456.db2.gz XVHOJGUVNOLOIO-UHFFFAOYSA-N 2 0 231.340 -0.238 20 0 BBADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000230711351 357573690 /nfs/dbraw/zinc/57/36/90/357573690.db2.gz ZFFKOACKQOWFPD-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000230711353 357573399 /nfs/dbraw/zinc/57/33/99/357573399.db2.gz ZFFKOACKQOWFPD-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000230711836 358409995 /nfs/dbraw/zinc/40/99/95/358409995.db2.gz GGKHQVMUDQUMHL-WDEREUQCSA-N 2 0 243.351 -0.491 20 0 BBADRP OCCOCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000230786317 488158788 /nfs/dbraw/zinc/15/87/88/488158788.db2.gz WDQCFYJQADPZIE-GFCCVEGCSA-N 2 0 246.351 -0.568 20 0 BBADRP OCCOCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000230786320 488158703 /nfs/dbraw/zinc/15/87/03/488158703.db2.gz WDQCFYJQADPZIE-LBPRGKRZSA-N 2 0 246.351 -0.568 20 0 BBADRP CNC(=O)[C@H](C)C[N@H+](C)CCC[NH2+]C ZINC000230896323 363327653 /nfs/dbraw/zinc/32/76/53/363327653.db2.gz HNRPFDOQPQJAMV-SECBINFHSA-N 2 0 201.314 -0.090 20 0 BBADRP CNC(=O)[C@@H](C)C[N@H+](C)CCC[NH2+]C ZINC000230896325 357578230 /nfs/dbraw/zinc/57/82/30/357578230.db2.gz HNRPFDOQPQJAMV-VIFPVBQESA-N 2 0 201.314 -0.090 20 0 BBADRP C[NH2+]CCC(=O)NCC[NH+]1CCSCC1 ZINC000230937426 135567636 /nfs/dbraw/zinc/56/76/36/135567636.db2.gz CISZLILWYLJLPB-UHFFFAOYSA-N 2 0 231.365 -0.239 20 0 BBADRP CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230977625 358413803 /nfs/dbraw/zinc/41/38/03/358413803.db2.gz AWHOCILJBCNJEU-NXEZZACHSA-N 2 0 249.380 -0.215 20 0 BBADRP CS(=O)(=O)NCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230977629 358413663 /nfs/dbraw/zinc/41/36/63/358413663.db2.gz AWHOCILJBCNJEU-ZJUUUORDSA-N 2 0 249.380 -0.215 20 0 BBADRP CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000230977632 358413706 /nfs/dbraw/zinc/41/37/06/358413706.db2.gz AWHOCILJBCNJEU-VHSXEESVSA-N 2 0 249.380 -0.215 20 0 BBADRP CS(=O)(=O)NCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000230977636 358413548 /nfs/dbraw/zinc/41/35/48/358413548.db2.gz AWHOCILJBCNJEU-UWVGGRQHSA-N 2 0 249.380 -0.215 20 0 BBADRP CNS(=O)(=O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000230983115 641120404 /nfs/dbraw/zinc/12/04/04/641120404.db2.gz QHZNBFCNZWPLKN-UHFFFAOYSA-N 2 0 249.380 -0.533 20 0 BBADRP CCNS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230984025 635495275 /nfs/dbraw/zinc/49/52/75/635495275.db2.gz MXQZIGPHLPGMLF-NXEZZACHSA-N 2 0 249.380 -0.215 20 0 BBADRP CCNS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230984028 641119651 /nfs/dbraw/zinc/11/96/51/641119651.db2.gz MXQZIGPHLPGMLF-ZJUUUORDSA-N 2 0 249.380 -0.215 20 0 BBADRP CCNS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000230984030 641120373 /nfs/dbraw/zinc/12/03/73/641120373.db2.gz MXQZIGPHLPGMLF-VHSXEESVSA-N 2 0 249.380 -0.215 20 0 BBADRP CCNS(=O)(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000230984033 641120913 /nfs/dbraw/zinc/12/09/13/641120913.db2.gz MXQZIGPHLPGMLF-UWVGGRQHSA-N 2 0 249.380 -0.215 20 0 BBADRP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230988146 488178578 /nfs/dbraw/zinc/17/85/78/488178578.db2.gz CBKXHFGSXWAKFQ-NXEZZACHSA-N 2 0 249.380 -0.263 20 0 BBADRP CN(C)S(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230988149 488178332 /nfs/dbraw/zinc/17/83/32/488178332.db2.gz CBKXHFGSXWAKFQ-ZJUUUORDSA-N 2 0 249.380 -0.263 20 0 BBADRP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000230988151 488178638 /nfs/dbraw/zinc/17/86/38/488178638.db2.gz CBKXHFGSXWAKFQ-VHSXEESVSA-N 2 0 249.380 -0.263 20 0 BBADRP CN(C)S(=O)(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000230988154 488178664 /nfs/dbraw/zinc/17/86/64/488178664.db2.gz CBKXHFGSXWAKFQ-UWVGGRQHSA-N 2 0 249.380 -0.263 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[NH+](C)C ZINC000232110550 363361267 /nfs/dbraw/zinc/36/12/67/363361267.db2.gz UPOOPGIPVXFORZ-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[NH+](C)C ZINC000232110552 363361184 /nfs/dbraw/zinc/36/11/84/363361184.db2.gz UPOOPGIPVXFORZ-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP CC[NH+](CC)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000232110632 353694272 /nfs/dbraw/zinc/69/42/72/353694272.db2.gz YHGJAVALWLHDGR-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP CC[NH+](CC)CCNC(=O)C[C@H](C[NH3+])OC ZINC000232110633 135648909 /nfs/dbraw/zinc/64/89/09/135648909.db2.gz YHGJAVALWLHDGR-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCC[NH+](C)C ZINC000232111394 363362129 /nfs/dbraw/zinc/36/21/29/363362129.db2.gz NKBCQEDVLCRPGT-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCC[NH+](C)C ZINC000232111396 536564997 /nfs/dbraw/zinc/56/49/97/536564997.db2.gz NKBCQEDVLCRPGT-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000232111398 353695147 /nfs/dbraw/zinc/69/51/47/353695147.db2.gz NHAVQKYVOJYCRI-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000232111400 353694842 /nfs/dbraw/zinc/69/48/42/353694842.db2.gz NHAVQKYVOJYCRI-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[N@H+](C)CC1 ZINC000232111687 135026910 /nfs/dbraw/zinc/02/69/10/135026910.db2.gz LVVKPUQVYMCHPR-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[N@H+](C)CC1 ZINC000232111688 357644817 /nfs/dbraw/zinc/64/48/17/357644817.db2.gz LVVKPUQVYMCHPR-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCC[NH+]1CCCC1 ZINC000232111888 353694890 /nfs/dbraw/zinc/69/48/90/353694890.db2.gz KKAZHFHNAXQGJA-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCC[NH+]1CCCC1 ZINC000232111890 353695094 /nfs/dbraw/zinc/69/50/94/353695094.db2.gz KKAZHFHNAXQGJA-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[NH+]1CCCC1 ZINC000232112116 644166063 /nfs/dbraw/zinc/16/60/63/644166063.db2.gz NMQXQYKGKVCZMA-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[NH+]1CCCC1 ZINC000232112118 641247507 /nfs/dbraw/zinc/24/75/07/641247507.db2.gz NMQXQYKGKVCZMA-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000232112457 353695131 /nfs/dbraw/zinc/69/51/31/353695131.db2.gz GQEVAIBBJGMSKF-LLVKDONJSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000232112459 353694881 /nfs/dbraw/zinc/69/48/81/353694881.db2.gz GQEVAIBBJGMSKF-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000232114728 357645934 /nfs/dbraw/zinc/64/59/34/357645934.db2.gz YBPYUPQNJNKRSH-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000232114730 357645971 /nfs/dbraw/zinc/64/59/71/357645971.db2.gz YBPYUPQNJNKRSH-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)[NH+](C)C ZINC000232117254 134548932 /nfs/dbraw/zinc/54/89/32/134548932.db2.gz FGXVBIXNEMROSL-RKDXNWHRSA-N 2 0 217.313 -0.584 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)[NH+](C)C ZINC000232117256 363362069 /nfs/dbraw/zinc/36/20/69/363362069.db2.gz FGXVBIXNEMROSL-BDAKNGLRSA-N 2 0 217.313 -0.584 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)[NH+](C)C ZINC000232117258 363362026 /nfs/dbraw/zinc/36/20/26/363362026.db2.gz FGXVBIXNEMROSL-DTWKUNHWSA-N 2 0 217.313 -0.584 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)[NH+](C)C ZINC000232117260 363362986 /nfs/dbraw/zinc/36/29/86/363362986.db2.gz FGXVBIXNEMROSL-IUCAKERBSA-N 2 0 217.313 -0.584 20 0 BBADRP CC[NH+]1CCC(NC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000232117283 357645569 /nfs/dbraw/zinc/64/55/69/357645569.db2.gz PIPPLGXOBAJBIE-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP CC[NH+]1CCC(NC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000232117286 357645950 /nfs/dbraw/zinc/64/59/50/357645950.db2.gz PIPPLGXOBAJBIE-LLVKDONJSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C1 ZINC000232117963 135026453 /nfs/dbraw/zinc/02/64/53/135026453.db2.gz PCEUVYFJYXUUGX-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000232118001 487513915 /nfs/dbraw/zinc/51/39/15/487513915.db2.gz POLKJBRJQJTIHE-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000232118002 487514028 /nfs/dbraw/zinc/51/40/28/487514028.db2.gz POLKJBRJQJTIHE-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000232118003 487513973 /nfs/dbraw/zinc/51/39/73/487513973.db2.gz POLKJBRJQJTIHE-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000232118004 487513944 /nfs/dbraw/zinc/51/39/44/487513944.db2.gz POLKJBRJQJTIHE-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC(C)(C)[NH+](C)C ZINC000232118143 357645748 /nfs/dbraw/zinc/64/57/48/357645748.db2.gz UZZVTPQTNPJATQ-SECBINFHSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC(C)(C)[NH+](C)C ZINC000232118145 357645588 /nfs/dbraw/zinc/64/55/88/357645588.db2.gz UZZVTPQTNPJATQ-VIFPVBQESA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000232119050 357645693 /nfs/dbraw/zinc/64/56/93/357645693.db2.gz GZXLQPAFMWVMOD-VHSXEESVSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000232119051 134548657 /nfs/dbraw/zinc/54/86/57/134548657.db2.gz GZXLQPAFMWVMOD-UWVGGRQHSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C)CC[NH+](C)C ZINC000232119053 357645938 /nfs/dbraw/zinc/64/59/38/357645938.db2.gz GZXLQPAFMWVMOD-NXEZZACHSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)CC[NH+](C)C ZINC000232119055 357645956 /nfs/dbraw/zinc/64/59/56/357645956.db2.gz GZXLQPAFMWVMOD-ZJUUUORDSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[NH+]1CCCCC1 ZINC000232119064 353696022 /nfs/dbraw/zinc/69/60/22/353696022.db2.gz NKUVTLFHCVSDOJ-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[NH+]1CCCCC1 ZINC000232119065 536564185 /nfs/dbraw/zinc/56/41/85/536564185.db2.gz NKUVTLFHCVSDOJ-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC1CC[NH+](C)CC1 ZINC000232119251 357645942 /nfs/dbraw/zinc/64/59/42/357645942.db2.gz DKLNEKOYYPCVEA-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC1CC[NH+](C)CC1 ZINC000232119253 134548747 /nfs/dbraw/zinc/54/87/47/134548747.db2.gz DKLNEKOYYPCVEA-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000232119259 342787678 /nfs/dbraw/zinc/78/76/78/342787678.db2.gz KKLMGOFXHUVPMR-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000232119261 342787627 /nfs/dbraw/zinc/78/76/27/342787627.db2.gz KKLMGOFXHUVPMR-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000232119262 342787803 /nfs/dbraw/zinc/78/78/03/342787803.db2.gz KKLMGOFXHUVPMR-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000232119264 342787790 /nfs/dbraw/zinc/78/77/90/342787790.db2.gz KKLMGOFXHUVPMR-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000232119326 357646766 /nfs/dbraw/zinc/64/67/66/357646766.db2.gz HDZFFZIIOXEJJU-KOLCDFICSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000232119328 357646919 /nfs/dbraw/zinc/64/69/19/357646919.db2.gz HDZFFZIIOXEJJU-GXSJLCMTSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000232119330 357646550 /nfs/dbraw/zinc/64/65/50/357646550.db2.gz HDZFFZIIOXEJJU-ONGXEEELSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCCC[NH+](C)C ZINC000232119458 134548651 /nfs/dbraw/zinc/54/86/51/134548651.db2.gz ZBASMKAZUNMKEM-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCCC[NH+](C)C ZINC000232119460 536565368 /nfs/dbraw/zinc/56/53/68/536565368.db2.gz ZBASMKAZUNMKEM-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP CC[N@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000232119898 363362692 /nfs/dbraw/zinc/36/26/92/363362692.db2.gz YKEGFKWVUYJQLY-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP CC[N@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000232119900 363362896 /nfs/dbraw/zinc/36/28/96/363362896.db2.gz YKEGFKWVUYJQLY-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+](C)C(C)C ZINC000232119901 135649940 /nfs/dbraw/zinc/64/99/40/135649940.db2.gz QSSBHECPBPVNSB-SNVBAGLBSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[N@H+](C)C(C)C ZINC000232119903 353695941 /nfs/dbraw/zinc/69/59/41/353695941.db2.gz QSSBHECPBPVNSB-JTQLQIEISA-N 2 0 231.340 -0.193 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000232120020 353695962 /nfs/dbraw/zinc/69/59/62/353695962.db2.gz XOQNJZGCOHBLEN-JTQLQIEISA-N 2 0 247.339 -0.955 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000232120022 353695984 /nfs/dbraw/zinc/69/59/84/353695984.db2.gz XOQNJZGCOHBLEN-SNVBAGLBSA-N 2 0 247.339 -0.955 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000232120052 342787895 /nfs/dbraw/zinc/78/78/95/342787895.db2.gz KNHDMMPCARYPKD-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000232120054 342788035 /nfs/dbraw/zinc/78/80/35/342788035.db2.gz KNHDMMPCARYPKD-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000232120056 342788020 /nfs/dbraw/zinc/78/80/20/342788020.db2.gz KNHDMMPCARYPKD-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000232120057 342788016 /nfs/dbraw/zinc/78/80/16/342788016.db2.gz KNHDMMPCARYPKD-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+](C)C1CC1 ZINC000232120138 357647001 /nfs/dbraw/zinc/64/70/01/357647001.db2.gz VFHKCRWUDHVPRQ-SNVBAGLBSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[N@H+](C)C1CC1 ZINC000232120140 357646840 /nfs/dbraw/zinc/64/68/40/357646840.db2.gz VFHKCRWUDHVPRQ-JTQLQIEISA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[C@@H](C[NH3+])OC ZINC000232120894 342787915 /nfs/dbraw/zinc/78/79/15/342787915.db2.gz WWAPQLULENTOPZ-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[C@H](C[NH3+])OC ZINC000232120896 342787971 /nfs/dbraw/zinc/78/79/71/342787971.db2.gz WWAPQLULENTOPZ-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000232121991 357646637 /nfs/dbraw/zinc/64/66/37/357646637.db2.gz VKWBGQIYUXWGQG-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000232121994 357646742 /nfs/dbraw/zinc/64/67/42/357646742.db2.gz VKWBGQIYUXWGQG-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000232121997 357646702 /nfs/dbraw/zinc/64/67/02/357646702.db2.gz VKWBGQIYUXWGQG-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000232121999 357646889 /nfs/dbraw/zinc/64/68/89/357646889.db2.gz VKWBGQIYUXWGQG-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C[C@@H](C[NH3+])OC ZINC000232123115 342788063 /nfs/dbraw/zinc/78/80/63/342788063.db2.gz ZWQVWRMLIDUVJB-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C[C@H](C[NH3+])OC ZINC000232123117 342787966 /nfs/dbraw/zinc/78/79/66/342787966.db2.gz ZWQVWRMLIDUVJB-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000232123672 342788032 /nfs/dbraw/zinc/78/80/32/342788032.db2.gz VQVNPMDIQVDIAC-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000232123674 342788030 /nfs/dbraw/zinc/78/80/30/342788030.db2.gz VQVNPMDIQVDIAC-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000232123676 342787885 /nfs/dbraw/zinc/78/78/85/342787885.db2.gz VQVNPMDIQVDIAC-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000232123677 342788053 /nfs/dbraw/zinc/78/80/53/342788053.db2.gz VQVNPMDIQVDIAC-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000232123739 357646907 /nfs/dbraw/zinc/64/69/07/357646907.db2.gz HPQJHSFBBHJNIS-AXFHLTTASA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000232123742 357646857 /nfs/dbraw/zinc/64/68/57/357646857.db2.gz HPQJHSFBBHJNIS-DCAQKATOSA-N 2 0 243.351 -0.051 20 0 BBADRP CC(=O)N[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000232554926 487606215 /nfs/dbraw/zinc/60/62/15/487606215.db2.gz LPNPSKFBXJQPJZ-JTQLQIEISA-N 2 0 215.297 -0.828 20 0 BBADRP CC(=O)N[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000232556310 487606333 /nfs/dbraw/zinc/60/63/33/487606333.db2.gz LPNPSKFBXJQPJZ-SNVBAGLBSA-N 2 0 215.297 -0.828 20 0 BBADRP CC(=O)NCC1CC[NH+](CCOCC[NH3+])CC1 ZINC000232556546 353733022 /nfs/dbraw/zinc/73/30/22/353733022.db2.gz OGOIKNNARGJSST-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CC(C)C[N@H+](CCOCC[NH3+])CC(N)=O ZINC000232564711 363375461 /nfs/dbraw/zinc/37/54/61/363375461.db2.gz IUXKLDYOTNLGPB-UHFFFAOYSA-N 2 0 217.313 -0.595 20 0 BBADRP CC(C)[N@H+](CCOCC[NH3+])CC(N)=O ZINC000232646669 363377862 /nfs/dbraw/zinc/37/78/62/363377862.db2.gz AOOGCYLRVAABCK-UHFFFAOYSA-N 2 0 203.286 -0.843 20 0 BBADRP CC(C)[NH2+]CC(=O)NCCOCC[NH+](C)C ZINC000232664152 487627631 /nfs/dbraw/zinc/62/76/31/487627631.db2.gz DUAULBPASHAPLR-UHFFFAOYSA-N 2 0 231.340 -0.321 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000232696035 342870984 /nfs/dbraw/zinc/87/09/84/342870984.db2.gz PQFNMOQQHHPEOM-SNVBAGLBSA-N 2 0 231.340 -0.336 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000232739096 342879473 /nfs/dbraw/zinc/87/94/73/342879473.db2.gz PQFNMOQQHHPEOM-JTQLQIEISA-N 2 0 231.340 -0.336 20 0 BBADRP CC(C)[C@@H](C[NH3+])C(=O)NCCOCC[NH+](C)C ZINC000232753985 357681305 /nfs/dbraw/zinc/68/13/05/357681305.db2.gz NNYWSXSEUYQOME-LLVKDONJSA-N 2 0 245.367 -0.088 20 0 BBADRP CCCC[N@H+](CCOCC[NH3+])CC(N)=O ZINC000232992032 363390683 /nfs/dbraw/zinc/39/06/83/363390683.db2.gz PJQPSPAAACJLKO-UHFFFAOYSA-N 2 0 217.313 -0.451 20 0 BBADRP CCC[N@H+](CCOCC[NH3+])CC(=O)N(C)C ZINC000233030264 357691893 /nfs/dbraw/zinc/69/18/93/357691893.db2.gz CKLVOEIFNALQMS-UHFFFAOYSA-N 2 0 231.340 -0.238 20 0 BBADRP CCC[N@H+](CCOCC[NH3+])CC(=O)NC ZINC000233030327 363391623 /nfs/dbraw/zinc/39/16/23/363391623.db2.gz RFWMHATYTOMRKO-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233426345 363400918 /nfs/dbraw/zinc/40/09/18/363400918.db2.gz XEDZSCJHPNVMTG-NXEZZACHSA-N 2 0 213.325 -0.090 20 0 BBADRP CC[N@H+](CCOCC[NH3+])CC(=O)N(C)C ZINC000233462241 487718669 /nfs/dbraw/zinc/71/86/69/487718669.db2.gz VBQJSZNEMZWAHK-UHFFFAOYSA-N 2 0 217.313 -0.628 20 0 BBADRP CC[N@H+](CCOCC[NH3+])CC(=O)NC ZINC000233462251 642673000 /nfs/dbraw/zinc/67/30/00/642673000.db2.gz JFKXEPWTAFXYFO-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP CCNC(=O)C[N@H+](CC)CCOCC[NH3+] ZINC000233484458 363403943 /nfs/dbraw/zinc/40/39/43/363403943.db2.gz LLFPYMMZPLXTQO-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP CC[NH2+]CC(=O)NCCOCC[NH+](C)C ZINC000233486299 642675427 /nfs/dbraw/zinc/67/54/27/642675427.db2.gz SJLBGCRZLGJBHB-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000233877224 342913203 /nfs/dbraw/zinc/91/32/03/342913203.db2.gz MVDJIGQQRZTFIS-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CC[C@@H](O)C[NH2+]CCOCC[NH+](C)C ZINC000233898590 487632988 /nfs/dbraw/zinc/63/29/88/487632988.db2.gz DUWNUFUDVFIKGS-SNVBAGLBSA-N 2 0 204.314 -0.075 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000234042287 342916873 /nfs/dbraw/zinc/91/68/73/342916873.db2.gz MVDJIGQQRZTFIS-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP CC[C@H](O)C[NH2+]CCOCC[NH+](C)C ZINC000234062241 342916758 /nfs/dbraw/zinc/91/67/58/342916758.db2.gz DUWNUFUDVFIKGS-JTQLQIEISA-N 2 0 204.314 -0.075 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CSCN1 ZINC000234225910 342918796 /nfs/dbraw/zinc/91/87/96/342918796.db2.gz BGHFNTIITGVQHH-VIFPVBQESA-N 2 0 247.364 -0.657 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000234229069 384084341 /nfs/dbraw/zinc/08/43/41/384084341.db2.gz BOMODVVTFHHOGU-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000234229302 388354585 /nfs/dbraw/zinc/35/45/85/388354585.db2.gz AFHYKEYGAWWHQR-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@H]1CSCN1 ZINC000234230316 342918813 /nfs/dbraw/zinc/91/88/13/342918813.db2.gz BGHFNTIITGVQHH-SECBINFHSA-N 2 0 247.364 -0.657 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000234231286 342919195 /nfs/dbraw/zinc/91/91/95/342919195.db2.gz YAYXADLKWRRMEA-LBPRGKRZSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000234231409 342919163 /nfs/dbraw/zinc/91/91/63/342919163.db2.gz CUSRCEYODCHOSY-GFCCVEGCSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH+](C)CCOCC[NH2+]CCC(N)=O ZINC000234245947 342919085 /nfs/dbraw/zinc/91/90/85/342919085.db2.gz VQELBGOFSKTRBG-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP C[NH+](C)CCOCC[NH2+]CCS(C)(=O)=O ZINC000234247377 644533727 /nfs/dbraw/zinc/53/37/27/644533727.db2.gz SRIRCRSCFFDLIQ-UHFFFAOYSA-N 2 0 238.353 -0.801 20 0 BBADRP C[NH+](C)C[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000234257065 342919120 /nfs/dbraw/zinc/91/91/20/342919120.db2.gz OMHJYSKUJFTLOZ-RNFRBKRXSA-N 2 0 230.230 -0.578 20 0 BBADRP C[NH+](C)C[C@H](O)CNC[C@H](O)C(F)(F)F ZINC000234257230 342919072 /nfs/dbraw/zinc/91/90/72/342919072.db2.gz OMHJYSKUJFTLOZ-RQJHMYQMSA-N 2 0 230.230 -0.578 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C(C)(C)[NH3+] ZINC000234258756 342919360 /nfs/dbraw/zinc/91/93/60/342919360.db2.gz LXONFQMOTAEQNN-UHFFFAOYSA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C1([NH3+])CC1 ZINC000234259351 342919428 /nfs/dbraw/zinc/91/94/28/342919428.db2.gz BMDCGISSFCEAEX-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C1([NH3+])CCC1 ZINC000234259368 342919409 /nfs/dbraw/zinc/91/94/09/342919409.db2.gz YSNRYLNZOQPAMM-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C1([NH3+])CCCC1 ZINC000234259384 488129228 /nfs/dbraw/zinc/12/92/28/488129228.db2.gz SFSRVXLCWOEQIS-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C1CC[NH2+]CC1 ZINC000234259511 342919456 /nfs/dbraw/zinc/91/94/56/342919456.db2.gz HBEZVMYSIJOTPW-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH+](C)CCOCCNC(=O)CC(C)(C)[NH3+] ZINC000234259674 487788434 /nfs/dbraw/zinc/78/84/34/487788434.db2.gz BICFIUIUJUTTRT-UHFFFAOYSA-N 2 0 231.340 -0.192 20 0 BBADRP C[NH+](C)CCOCCNC(=O)CC1([NH3+])CCC1 ZINC000234259854 488129349 /nfs/dbraw/zinc/12/93/49/488129349.db2.gz QBEIFNRCSNSLOB-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[NH+](C)CCOCCNC(=O)CCCC[NH3+] ZINC000234260212 342919348 /nfs/dbraw/zinc/91/93/48/342919348.db2.gz CFGQKWPETVLYTH-UHFFFAOYSA-N 2 0 231.340 -0.190 20 0 BBADRP C[NH+](C)CCOCCNC(=O)CCC[NH3+] ZINC000234260250 342919564 /nfs/dbraw/zinc/91/95/64/342919564.db2.gz KWXMULXYABHYEY-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP C[NH+](C)CCOCCNC(=O)CC[NH3+] ZINC000234260295 342919387 /nfs/dbraw/zinc/91/93/87/342919387.db2.gz LCIYIPXIHUYYDP-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP C[NH+](C)CCOCCNC(=O)CC[NH2+]C1CC1 ZINC000234260326 342919462 /nfs/dbraw/zinc/91/94/62/342919462.db2.gz SEQYSSXJKCTUSQ-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[NH2+]C1CC1 ZINC000234261481 342919432 /nfs/dbraw/zinc/91/94/32/342919432.db2.gz HKJGYCUSHYQOFZ-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[NH2+]CC1CC1 ZINC000234261533 342919376 /nfs/dbraw/zinc/91/93/76/342919376.db2.gz ZHGXWBCVYUBEQR-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000234261799 635551699 /nfs/dbraw/zinc/55/16/99/635551699.db2.gz KSURILWXSLWUFZ-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000234261916 342919374 /nfs/dbraw/zinc/91/93/74/342919374.db2.gz NEERVWFIAXZLST-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000234261976 487788621 /nfs/dbraw/zinc/78/86/21/487788621.db2.gz ORDPDRPTXQJQHE-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000234262095 635551484 /nfs/dbraw/zinc/55/14/84/635551484.db2.gz KSURILWXSLWUFZ-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000234262181 342919370 /nfs/dbraw/zinc/91/93/70/342919370.db2.gz NEERVWFIAXZLST-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000234262244 487788607 /nfs/dbraw/zinc/78/86/07/487788607.db2.gz ORDPDRPTXQJQHE-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000234263236 641158620 /nfs/dbraw/zinc/15/86/20/641158620.db2.gz KUIUSMBQHAMNJN-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000234264911 641159796 /nfs/dbraw/zinc/15/97/96/641159796.db2.gz KUIUSMBQHAMNJN-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000234266062 219821182 /nfs/dbraw/zinc/82/11/82/219821182.db2.gz BOMODVVTFHHOGU-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000234266148 388354018 /nfs/dbraw/zinc/35/40/18/388354018.db2.gz AFHYKEYGAWWHQR-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000234266166 342919430 /nfs/dbraw/zinc/91/94/30/342919430.db2.gz GVZIHGGSYHZTHG-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000234266261 487789255 /nfs/dbraw/zinc/78/92/55/487789255.db2.gz SJNBFHIFBAZNGO-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CNC(=O)[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000234333276 173297639 /nfs/dbraw/zinc/29/76/39/173297639.db2.gz WAIXLEIJRLYCME-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CNC(=O)[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000234343650 173305889 /nfs/dbraw/zinc/30/58/89/173305889.db2.gz WAIXLEIJRLYCME-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CNC(=O)[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000234345324 173297885 /nfs/dbraw/zinc/29/78/85/173297885.db2.gz WIOZLMRPZNRYDR-SNVBAGLBSA-N 2 0 229.324 -0.580 20 0 BBADRP CNC(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000234350480 363419528 /nfs/dbraw/zinc/41/95/28/363419528.db2.gz HWNGVUWCUSBRQO-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP C[NH2+]CCN(C)C(=O)C1(COC)CC[NH2+]CC1 ZINC000234351499 357791856 /nfs/dbraw/zinc/79/18/56/357791856.db2.gz MEKAZIHQJZKQRM-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP CNC(=O)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000234351828 173299013 /nfs/dbraw/zinc/29/90/13/173299013.db2.gz QTAHDZBVQQMZHS-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP CNC(=O)[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000234352812 173306553 /nfs/dbraw/zinc/30/65/53/173306553.db2.gz WIOZLMRPZNRYDR-JTQLQIEISA-N 2 0 229.324 -0.580 20 0 BBADRP CNC(=O)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000234357917 173307249 /nfs/dbraw/zinc/30/72/49/173307249.db2.gz QTAHDZBVQQMZHS-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP CNC(=O)[C@@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000234358763 342921794 /nfs/dbraw/zinc/92/17/94/342921794.db2.gz SJINMCNYWGZKEY-NSHDSACASA-N 2 0 242.367 -0.795 20 0 BBADRP CNC(=O)[C@@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000234358797 363421059 /nfs/dbraw/zinc/42/10/59/363421059.db2.gz BJTHTNZEIWAREG-VIFPVBQESA-N 2 0 217.313 -0.724 20 0 BBADRP C[NH2+]CCCC(=O)NCCOCC[NH+](C)C ZINC000234366524 342921819 /nfs/dbraw/zinc/92/18/19/342921819.db2.gz LBIPOHMAQCHEMT-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP C[NH2+]CCC(=O)NCCOCC[NH+](C)C ZINC000234369234 342921870 /nfs/dbraw/zinc/92/18/70/342921870.db2.gz JUDVRCWAQFMTRF-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCCOCC[NH+](C)C ZINC000234369254 342921751 /nfs/dbraw/zinc/92/17/51/342921751.db2.gz GWLYRCAIBCLXDI-JTQLQIEISA-N 2 0 231.340 -0.464 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC000234369524 342921788 /nfs/dbraw/zinc/92/17/88/342921788.db2.gz GWLYRCAIBCLXDI-SNVBAGLBSA-N 2 0 231.340 -0.464 20 0 BBADRP CNC(=O)[C@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000234374946 342921761 /nfs/dbraw/zinc/92/17/61/342921761.db2.gz SJINMCNYWGZKEY-LLVKDONJSA-N 2 0 242.367 -0.795 20 0 BBADRP CNC(=O)[C@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000234374983 363421141 /nfs/dbraw/zinc/42/11/41/363421141.db2.gz BJTHTNZEIWAREG-SECBINFHSA-N 2 0 217.313 -0.724 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC000234424412 388355024 /nfs/dbraw/zinc/35/50/24/388355024.db2.gz NJPUIJZAXOAZEN-VIFPVBQESA-N 2 0 217.313 -0.711 20 0 BBADRP COC(=O)N[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000234518786 711558767 /nfs/dbraw/zinc/55/87/67/711558767.db2.gz MSODXFCPXGZPMY-VIFPVBQESA-N 2 0 231.296 -0.608 20 0 BBADRP COCC1(C(=O)NCC[NH+](C)C)CC[NH2+]CC1 ZINC000234607058 174086606 /nfs/dbraw/zinc/08/66/06/174086606.db2.gz VOHDLIUWFQQRFU-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC1(C(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000234640644 342933044 /nfs/dbraw/zinc/93/30/44/342933044.db2.gz RQBGTMHHZWBVRF-UHFFFAOYSA-N 2 0 241.335 -0.566 20 0 BBADRP COCCOC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000234677888 631660930 /nfs/dbraw/zinc/66/09/30/631660930.db2.gz WVSINVGCJVQSDX-LBPRGKRZSA-N 2 0 246.351 -0.306 20 0 BBADRP COCCOC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000234678293 635558462 /nfs/dbraw/zinc/55/84/62/635558462.db2.gz BRSSYLRFCGRHLJ-NSHDSACASA-N 2 0 248.367 -0.073 20 0 BBADRP COCCOC[C@@H](O)C[N@H+](C)CCC[NH3+] ZINC000234679526 631660117 /nfs/dbraw/zinc/66/01/17/631660117.db2.gz JGAOZDUOIFGWGJ-JTQLQIEISA-N 2 0 220.313 -0.709 20 0 BBADRP COC[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)OC ZINC000234687580 487853502 /nfs/dbraw/zinc/85/35/02/487853502.db2.gz YFFQXKCPTFUCDU-VXGBXAGGSA-N 2 0 246.351 -0.306 20 0 BBADRP COC[C@@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)OC ZINC000234688998 487853072 /nfs/dbraw/zinc/85/30/72/487853072.db2.gz YIJSJNSUTSHWLB-VHSXEESVSA-N 2 0 202.298 -0.072 20 0 BBADRP COCCOC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000234690867 635559335 /nfs/dbraw/zinc/55/93/35/635559335.db2.gz QPUVBQOSCSHGBC-LBPRGKRZSA-N 2 0 246.351 -0.319 20 0 BBADRP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000234695839 631664487 /nfs/dbraw/zinc/66/44/87/631664487.db2.gz UZLNENUGMXAJFH-RYUDHWBXSA-N 2 0 246.351 -0.319 20 0 BBADRP COC[C@H](C)OC[C@@H](O)C[N@H+](C)CCC[NH3+] ZINC000234696879 635559752 /nfs/dbraw/zinc/55/97/52/635559752.db2.gz QRZZCKRHENFQHX-QWRGUYRKSA-N 2 0 234.340 -0.321 20 0 BBADRP COC[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)OC ZINC000234698237 487855875 /nfs/dbraw/zinc/85/58/75/487855875.db2.gz YFFQXKCPTFUCDU-NWDGAFQWSA-N 2 0 246.351 -0.306 20 0 BBADRP COC[C@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)OC ZINC000234702893 487860704 /nfs/dbraw/zinc/86/07/04/487860704.db2.gz YIJSJNSUTSHWLB-UWVGGRQHSA-N 2 0 202.298 -0.072 20 0 BBADRP COC[C@H](O)C[NH2+]CCOCC[NH+](C)C ZINC000234723460 342940244 /nfs/dbraw/zinc/94/02/44/342940244.db2.gz BDHZQCDGGPZGIM-SNVBAGLBSA-N 2 0 220.313 -0.839 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCOCC[NH+](C)C ZINC000234759378 342940299 /nfs/dbraw/zinc/94/02/99/342940299.db2.gz HHFWKFSPIHBSOC-SNVBAGLBSA-N 2 0 247.339 -0.955 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCOCC[NH+](C)C ZINC000234765044 384511146 /nfs/dbraw/zinc/51/11/46/384511146.db2.gz HHFWKFSPIHBSOC-JTQLQIEISA-N 2 0 247.339 -0.955 20 0 BBADRP CO[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000234855634 384904354 /nfs/dbraw/zinc/90/43/54/384904354.db2.gz JEXCBVAUMBEHCX-NSHDSACASA-N 2 0 241.335 -0.471 20 0 BBADRP C[C@H](C(=O)NCCOCC[NH+](C)C)C1C[NH2+]C1 ZINC000235114229 342986952 /nfs/dbraw/zinc/98/69/52/342986952.db2.gz XAGDTJKAQHJTTB-JTQLQIEISA-N 2 0 243.351 -0.464 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NCCOCC[NH+](C)C ZINC000235118934 342986955 /nfs/dbraw/zinc/98/69/55/342986955.db2.gz XGOARHHTKYVOPL-VIFPVBQESA-N 2 0 217.313 -0.724 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NCCOCC[NH+](C)C ZINC000235153461 487925779 /nfs/dbraw/zinc/92/57/79/487925779.db2.gz XOSLRKWFKOGHRI-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NCCOCC[NH+](C)C ZINC000235164008 342988745 /nfs/dbraw/zinc/98/87/45/342988745.db2.gz JNEJNLUMQUSKBU-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP C[C@@H](O)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000235225728 487936472 /nfs/dbraw/zinc/93/64/72/487936472.db2.gz NSUOXQPRYSUDCJ-VHSXEESVSA-N 2 0 204.314 -0.077 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC000235227179 490061159 /nfs/dbraw/zinc/06/11/59/490061159.db2.gz LSJAVCWUDPKNTC-NXEZZACHSA-N 2 0 231.340 -0.336 20 0 BBADRP C[C@@H](O)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000235233158 487937255 /nfs/dbraw/zinc/93/72/55/487937255.db2.gz NSUOXQPRYSUDCJ-NXEZZACHSA-N 2 0 204.314 -0.077 20 0 BBADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOCC[NH3+] ZINC000235280338 176196268 /nfs/dbraw/zinc/19/62/68/176196268.db2.gz LICDPXQNNFRERU-NXEZZACHSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000235282674 343000277 /nfs/dbraw/zinc/00/02/77/343000277.db2.gz VAHGRGWFKVBKJN-WDEREUQCSA-N 2 0 243.351 -0.321 20 0 BBADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOCC[NH3+] ZINC000235291064 176222272 /nfs/dbraw/zinc/22/22/72/176222272.db2.gz LICDPXQNNFRERU-ZJUUUORDSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000235314294 343009619 /nfs/dbraw/zinc/00/96/19/343009619.db2.gz VAHGRGWFKVBKJN-QWRGUYRKSA-N 2 0 243.351 -0.321 20 0 BBADRP C[C@@H]1C[C@H](C(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000235350135 632673806 /nfs/dbraw/zinc/67/38/06/632673806.db2.gz LQMCAFUVQFNBNX-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@]1(C(N)=O)CC[N@H+](CCOCC[NH3+])C1 ZINC000235399273 487951002 /nfs/dbraw/zinc/95/10/02/487951002.db2.gz GXTPQQUVPFWGFR-SNVBAGLBSA-N 2 0 215.297 -0.841 20 0 BBADRP C[C@@H](C(=O)NCCOCC[NH+](C)C)C1C[NH2+]C1 ZINC000235420156 343032474 /nfs/dbraw/zinc/03/24/74/343032474.db2.gz XAGDTJKAQHJTTB-SNVBAGLBSA-N 2 0 243.351 -0.464 20 0 BBADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000235436206 487636340 /nfs/dbraw/zinc/63/63/40/487636340.db2.gz QPNJYMQIRLFFGN-MWLCHTKSSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000235436291 490162511 /nfs/dbraw/zinc/16/25/11/490162511.db2.gz WGCIXHZODAEMMH-GXSJLCMTSA-N 2 0 227.308 -0.828 20 0 BBADRP C[C@@]1(C[NH3+])CC[N@H+](CCN2CCOCC2)C1 ZINC000235438596 384232234 /nfs/dbraw/zinc/23/22/34/384232234.db2.gz CXPFGPLJZLJMLS-LBPRGKRZSA-N 2 0 227.352 -0.011 20 0 BBADRP C[C@H](C[NH3+])C(=O)NCCOCC[NH+](C)C ZINC000235446391 343038054 /nfs/dbraw/zinc/03/80/54/343038054.db2.gz XGOARHHTKYVOPL-SECBINFHSA-N 2 0 217.313 -0.724 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NCCOCC[NH+](C)C ZINC000235467992 343038852 /nfs/dbraw/zinc/03/88/52/343038852.db2.gz JNEJNLUMQUSKBU-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP C[C@@H]1C[N@H+](C)CCN1CCOCC[NH3+] ZINC000235476793 176267072 /nfs/dbraw/zinc/26/70/72/176267072.db2.gz NECBVQDUKZIRJC-SNVBAGLBSA-N 2 0 201.314 -0.402 20 0 BBADRP C[C@@H](C(=O)NCCOCC[NH+](C)C)[C@H](C)[NH3+] ZINC000235483009 343039375 /nfs/dbraw/zinc/03/93/75/343039375.db2.gz LSJAVCWUDPKNTC-ZJUUUORDSA-N 2 0 231.340 -0.336 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCOCC[NH+](C)C ZINC000235483968 343039551 /nfs/dbraw/zinc/03/95/51/343039551.db2.gz LSJAVCWUDPKNTC-UWVGGRQHSA-N 2 0 231.340 -0.336 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCCOCC[NH+](C)C ZINC000235487053 487971583 /nfs/dbraw/zinc/97/15/83/487971583.db2.gz XOSLRKWFKOGHRI-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP C[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000235497505 343039979 /nfs/dbraw/zinc/03/99/79/343039979.db2.gz UYKVXYSJYRTWMS-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP C[C@H](O)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000235560711 487636071 /nfs/dbraw/zinc/63/60/71/487636071.db2.gz NSUOXQPRYSUDCJ-UWVGGRQHSA-N 2 0 204.314 -0.077 20 0 BBADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)O ZINC000235567795 487981419 /nfs/dbraw/zinc/98/14/19/487981419.db2.gz NSUOXQPRYSUDCJ-ZJUUUORDSA-N 2 0 204.314 -0.077 20 0 BBADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOCC[NH3+] ZINC000235575792 177182002 /nfs/dbraw/zinc/18/20/02/177182002.db2.gz LICDPXQNNFRERU-VHSXEESVSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000235581858 343048082 /nfs/dbraw/zinc/04/80/82/343048082.db2.gz VAHGRGWFKVBKJN-MNOVXSKESA-N 2 0 243.351 -0.321 20 0 BBADRP C[C@H]1C[N@H+](C)CCN1CCOCC[NH3+] ZINC000235582833 388371518 /nfs/dbraw/zinc/37/15/18/388371518.db2.gz NECBVQDUKZIRJC-JTQLQIEISA-N 2 0 201.314 -0.402 20 0 BBADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOCC[NH3+] ZINC000235583988 177198424 /nfs/dbraw/zinc/19/84/24/177198424.db2.gz LICDPXQNNFRERU-UWVGGRQHSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000235598016 343048344 /nfs/dbraw/zinc/04/83/44/343048344.db2.gz VAHGRGWFKVBKJN-GHMZBOCLSA-N 2 0 243.351 -0.321 20 0 BBADRP C[C@H]1C[C@@H](C(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000235684599 343055309 /nfs/dbraw/zinc/05/53/09/343055309.db2.gz LQMCAFUVQFNBNX-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@]1(C[NH3+])CC[N@H+](CCN2CCOCC2)C1 ZINC000235707093 711524293 /nfs/dbraw/zinc/52/42/93/711524293.db2.gz CXPFGPLJZLJMLS-GFCCVEGCSA-N 2 0 227.352 -0.011 20 0 BBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000235742074 488012854 /nfs/dbraw/zinc/01/28/54/488012854.db2.gz QPNJYMQIRLFFGN-KOLCDFICSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@]1(C(N)=O)CC[N@H+](CCOCC[NH3+])C1 ZINC000235747410 491069545 /nfs/dbraw/zinc/06/95/45/491069545.db2.gz GXTPQQUVPFWGFR-JTQLQIEISA-N 2 0 215.297 -0.841 20 0 BBADRP Cn1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)nn1 ZINC000236106888 632881106 /nfs/dbraw/zinc/88/11/06/632881106.db2.gz GMTQDSXLTSVCQE-SECBINFHSA-N 2 0 209.297 -0.014 20 0 BBADRP Cn1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)nn1 ZINC000236107263 632881762 /nfs/dbraw/zinc/88/17/62/632881762.db2.gz GMTQDSXLTSVCQE-VIFPVBQESA-N 2 0 209.297 -0.014 20 0 BBADRP NC(=O)C[N@H+](CCOCC[NH3+])C1CCCC1 ZINC000236170134 488047967 /nfs/dbraw/zinc/04/79/67/488047967.db2.gz DVGPCOJEMQTLQC-UHFFFAOYSA-N 2 0 229.324 -0.308 20 0 BBADRP [NH3+]CCOCC[NH+]1CCC(CO)CC1 ZINC000236172287 343083629 /nfs/dbraw/zinc/08/36/29/343083629.db2.gz VSCRFJQKCKKTGD-UHFFFAOYSA-N 2 0 202.298 -0.334 20 0 BBADRP NC(=O)[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000236172915 192089394 /nfs/dbraw/zinc/08/93/94/192089394.db2.gz KNLLFYFYMNPGKB-SECBINFHSA-N 2 0 215.297 -0.699 20 0 BBADRP NC(=O)[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000236173023 388378109 /nfs/dbraw/zinc/37/81/09/388378109.db2.gz KNLLFYFYMNPGKB-VIFPVBQESA-N 2 0 215.297 -0.699 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000236178400 488047864 /nfs/dbraw/zinc/04/78/64/488047864.db2.gz FPIKCEURZSUDMW-MNOVXSKESA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000236178518 488048049 /nfs/dbraw/zinc/04/80/49/488048049.db2.gz FPIKCEURZSUDMW-GHMZBOCLSA-N 2 0 241.335 -0.438 20 0 BBADRP OCCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000236498269 488064956 /nfs/dbraw/zinc/06/49/56/488064956.db2.gz XLKKJXALSUHIHH-NSHDSACASA-N 2 0 216.325 -0.195 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236587834 387897090 /nfs/dbraw/zinc/89/70/90/387897090.db2.gz RUBONATUSBBFDR-ZJUUUORDSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236595731 384529796 /nfs/dbraw/zinc/52/97/96/384529796.db2.gz LLUIMMODDBPNRP-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000236604441 343103474 /nfs/dbraw/zinc/10/34/74/343103474.db2.gz YVZMFBPFYIWHBW-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000236604468 343103575 /nfs/dbraw/zinc/10/35/75/343103575.db2.gz YVZMFBPFYIWHBW-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000236607431 343103534 /nfs/dbraw/zinc/10/35/34/343103534.db2.gz MRNVUFWKESSMIQ-MRVPVSSYSA-N 2 0 231.365 -0.065 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000236607702 343103655 /nfs/dbraw/zinc/10/36/55/343103655.db2.gz MRNVUFWKESSMIQ-QMMMGPOBSA-N 2 0 231.365 -0.065 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NCCN1CC[NH2+]CC1 ZINC000236648870 384544208 /nfs/dbraw/zinc/54/42/08/384544208.db2.gz RZTBMZBKONSHGT-UHFFFAOYSA-N 2 0 242.367 -0.652 20 0 BBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236683248 384560300 /nfs/dbraw/zinc/56/03/00/384560300.db2.gz WWVXZUGAIHVCRX-JQWIXIFHSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236693769 191060352 /nfs/dbraw/zinc/06/03/52/191060352.db2.gz WWVXZUGAIHVCRX-CMPLNLGQSA-N 2 0 243.351 -0.146 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000236712671 387904895 /nfs/dbraw/zinc/90/48/95/387904895.db2.gz JQVPUQCEYCMNJE-MNOVXSKESA-N 2 0 243.351 -0.443 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000236713261 535224447 /nfs/dbraw/zinc/22/44/47/535224447.db2.gz JQVPUQCEYCMNJE-GHMZBOCLSA-N 2 0 243.351 -0.443 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000236713482 488082842 /nfs/dbraw/zinc/08/28/42/488082842.db2.gz BBIJXEQTOSKCCE-LLVKDONJSA-N 2 0 242.367 -0.619 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000236743554 343110363 /nfs/dbraw/zinc/11/03/63/343110363.db2.gz TYSYXVKKRPBIFC-NSHDSACASA-N 2 0 242.367 -0.619 20 0 BBADRP CCCC[C@@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000236745273 387905296 /nfs/dbraw/zinc/90/52/96/387905296.db2.gz DYOGUWFUKUYMNI-SNVBAGLBSA-N 2 0 231.340 -0.144 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236757161 384571127 /nfs/dbraw/zinc/57/11/27/384571127.db2.gz LLUIMMODDBPNRP-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP CCC[NH2+]CCNC(=O)C[NH2+]CCOC ZINC000236760980 343109994 /nfs/dbraw/zinc/10/99/94/343109994.db2.gz VGDCXYGIUGUYSB-UHFFFAOYSA-N 2 0 217.313 -0.662 20 0 BBADRP CCC[NH2+]CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000236761023 169257913 /nfs/dbraw/zinc/25/79/13/169257913.db2.gz UIKOVJSLHQXBDR-NSHDSACASA-N 2 0 243.351 -0.129 20 0 BBADRP CCC[NH2+]CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000236761043 169258697 /nfs/dbraw/zinc/25/86/97/169258697.db2.gz UIKOVJSLHQXBDR-LLVKDONJSA-N 2 0 243.351 -0.129 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)C[NH2+]CCOC ZINC000236761538 633794066 /nfs/dbraw/zinc/79/40/66/633794066.db2.gz JZSISUXNGMHLGT-UHFFFAOYSA-N 2 0 231.340 -0.144 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236766920 387904811 /nfs/dbraw/zinc/90/48/11/387904811.db2.gz GZUROGMJRMFWAR-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH3+])C1 ZINC000236769095 344403558 /nfs/dbraw/zinc/40/35/58/344403558.db2.gz KNCOEADUOODSGE-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH3+])C1 ZINC000236769141 363458039 /nfs/dbraw/zinc/45/80/39/363458039.db2.gz CJCYHOZZCAWSAG-JTQLQIEISA-N 2 0 229.324 -0.582 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000236769218 344403587 /nfs/dbraw/zinc/40/35/87/344403587.db2.gz ULNDKHGSACLMAZ-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH3+])C1 ZINC000236769500 344403618 /nfs/dbraw/zinc/40/36/18/344403618.db2.gz KNCOEADUOODSGE-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH3+])C1 ZINC000236769530 363458091 /nfs/dbraw/zinc/45/80/91/363458091.db2.gz CJCYHOZZCAWSAG-SNVBAGLBSA-N 2 0 229.324 -0.582 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000236769590 344403518 /nfs/dbraw/zinc/40/35/18/344403518.db2.gz ULNDKHGSACLMAZ-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H](C)C[NH2+]C ZINC000236776802 343111332 /nfs/dbraw/zinc/11/13/32/343111332.db2.gz ZKZAEXOMWJQLCQ-VIFPVBQESA-N 2 0 201.314 -0.042 20 0 BBADRP CC(C)([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000236789811 187289645 /nfs/dbraw/zinc/28/96/45/187289645.db2.gz LCLFRTUEYHJSSA-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H](C)C[NH2+]C ZINC000236795945 343111131 /nfs/dbraw/zinc/11/11/31/343111131.db2.gz ZKZAEXOMWJQLCQ-SECBINFHSA-N 2 0 201.314 -0.042 20 0 BBADRP CCCC[C@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000236797040 387906448 /nfs/dbraw/zinc/90/64/48/387906448.db2.gz DYOGUWFUKUYMNI-JTQLQIEISA-N 2 0 231.340 -0.144 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)C[NH2+]CCOC ZINC000236817007 635343532 /nfs/dbraw/zinc/34/35/32/635343532.db2.gz FGXRRTSISHGQSG-JTQLQIEISA-N 2 0 231.340 -0.144 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236823193 387908657 /nfs/dbraw/zinc/90/86/57/387908657.db2.gz LRFYZQPXSUGQCR-GXSJLCMTSA-N 2 0 229.324 -0.536 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236841031 350742650 /nfs/dbraw/zinc/74/26/50/350742650.db2.gz LHNGZSMZXDYHSM-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[NH+](CC)CC(=O)NCCN1CC[NH2+]CC1 ZINC000236842052 384590179 /nfs/dbraw/zinc/59/01/79/384590179.db2.gz HZDPGGKMWGKXEE-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP CC[NH+]1CCN(CC(=O)N(C)CC[NH2+]C)CC1 ZINC000236843324 344407072 /nfs/dbraw/zinc/40/70/72/344407072.db2.gz BEVIPPVSLLWRGL-UHFFFAOYSA-N 2 0 242.367 -0.698 20 0 BBADRP CC[NH+]1CCN(CC(=O)NCC(C)(C)[NH3+])CC1 ZINC000236843502 388384191 /nfs/dbraw/zinc/38/41/91/388384191.db2.gz PSXMRSUGFYNVHR-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP CC(C)([NH3+])CC(=O)NCCCN1CC[NH2+]CC1 ZINC000236844289 488092462 /nfs/dbraw/zinc/09/24/62/488092462.db2.gz WUHMUQUAALSLQQ-UHFFFAOYSA-N 2 0 242.367 -0.475 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)C(C)C ZINC000236861944 388384641 /nfs/dbraw/zinc/38/46/41/388384641.db2.gz IFOVHBBDIGFVBY-NSHDSACASA-N 2 0 243.351 -0.179 20 0 BBADRP CC[N@H+](CCNC(=O)[C@H]1C[NH2+]CCO1)C(C)C ZINC000236863944 388384614 /nfs/dbraw/zinc/38/46/14/388384614.db2.gz IFOVHBBDIGFVBY-LLVKDONJSA-N 2 0 243.351 -0.179 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)C[NH2+]CCOC ZINC000236890574 169002421 /nfs/dbraw/zinc/00/24/21/169002421.db2.gz FGXRRTSISHGQSG-SNVBAGLBSA-N 2 0 231.340 -0.144 20 0 BBADRP CC[NH2+]CCNC(=O)CN1CC[NH+](CC)CC1 ZINC000236906428 388386269 /nfs/dbraw/zinc/38/62/69/388386269.db2.gz QRWWBXLLGPSUKY-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000236906651 388385774 /nfs/dbraw/zinc/38/57/74/388385774.db2.gz APKJMLFFPSPPDB-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236907505 169002523 /nfs/dbraw/zinc/00/25/23/169002523.db2.gz LHNGZSMZXDYHSM-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[NH2+]CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000236908725 343115212 /nfs/dbraw/zinc/11/52/12/343115212.db2.gz JMXSQPYYNVLBHT-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP CC[NH2+]CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000236908757 343115097 /nfs/dbraw/zinc/11/50/97/343115097.db2.gz JMXSQPYYNVLBHT-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000236911858 398117689 /nfs/dbraw/zinc/11/76/89/398117689.db2.gz APKJMLFFPSPPDB-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000236916291 363461366 /nfs/dbraw/zinc/46/13/66/363461366.db2.gz KRFNMLZPQOYTHK-SECBINFHSA-N 2 0 231.365 -0.193 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000236917737 343115101 /nfs/dbraw/zinc/11/51/01/343115101.db2.gz KRFNMLZPQOYTHK-VIFPVBQESA-N 2 0 231.365 -0.193 20 0 BBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1([NH3+])CC1 ZINC000236935026 384850857 /nfs/dbraw/zinc/85/08/57/384850857.db2.gz FRFXPTLAGDUFIS-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)CC[NH3+] ZINC000236935419 384852841 /nfs/dbraw/zinc/85/28/41/384852841.db2.gz ZJGKJSXOWTYEPP-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[NH3+] ZINC000236935462 384854180 /nfs/dbraw/zinc/85/41/80/384854180.db2.gz XRVBOQRXBSAOAL-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC000236936323 170114530 /nfs/dbraw/zinc/11/45/30/170114530.db2.gz WRZNBICEKYFGPB-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000236971522 386330402 /nfs/dbraw/zinc/33/04/02/386330402.db2.gz YWRRCUNUTQKIKJ-NXEZZACHSA-N 2 0 231.340 -0.288 20 0 BBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1([NH3+])CC1 ZINC000237044263 385273912 /nfs/dbraw/zinc/27/39/12/385273912.db2.gz FRFXPTLAGDUFIS-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)CC[NH3+] ZINC000237044507 385273173 /nfs/dbraw/zinc/27/31/73/385273173.db2.gz ZJGKJSXOWTYEPP-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[NH3+] ZINC000237044538 385272748 /nfs/dbraw/zinc/27/27/48/385272748.db2.gz XRVBOQRXBSAOAL-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)[NH3+] ZINC000237044818 385277458 /nfs/dbraw/zinc/27/74/58/385277458.db2.gz ORICQVCKDNGRDC-ZJUUUORDSA-N 2 0 231.340 -0.193 20 0 BBADRP C[NH2+]CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237050680 343122078 /nfs/dbraw/zinc/12/20/78/343122078.db2.gz ZXQUIEWVHSMLIO-MRVPVSSYSA-N 2 0 217.338 -0.583 20 0 BBADRP C[NH2+]CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237052004 343122014 /nfs/dbraw/zinc/12/20/14/343122014.db2.gz ZXQUIEWVHSMLIO-QMMMGPOBSA-N 2 0 217.338 -0.583 20 0 BBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000237068269 171370668 /nfs/dbraw/zinc/37/06/68/171370668.db2.gz YWRRCUNUTQKIKJ-VHSXEESVSA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000237083709 174306696 /nfs/dbraw/zinc/30/66/96/174306696.db2.gz ONEFKOIGKFYNAE-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000237083796 174306747 /nfs/dbraw/zinc/30/67/47/174306747.db2.gz ICOQUXPRGDYXPF-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH3+] ZINC000237084780 174307430 /nfs/dbraw/zinc/30/74/30/174307430.db2.gz DPQXCDOGVQBTDB-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH3+] ZINC000237084872 174307060 /nfs/dbraw/zinc/30/70/60/174307060.db2.gz OUYXHOWROCTCDG-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[NH2+]CCOC ZINC000237087053 488100491 /nfs/dbraw/zinc/10/04/91/488100491.db2.gz XRQFUASPFIHWEO-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000237091385 174308283 /nfs/dbraw/zinc/30/82/83/174308283.db2.gz ONEFKOIGKFYNAE-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000237091445 174307908 /nfs/dbraw/zinc/30/79/08/174307908.db2.gz ICOQUXPRGDYXPF-JTQLQIEISA-N 2 0 241.335 -0.295 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH3+] ZINC000237091721 174307916 /nfs/dbraw/zinc/30/79/16/174307916.db2.gz DPQXCDOGVQBTDB-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH3+] ZINC000237091787 174309190 /nfs/dbraw/zinc/30/91/90/174309190.db2.gz OUYXHOWROCTCDG-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C(C)(C)C[NH3+] ZINC000237097188 343123351 /nfs/dbraw/zinc/12/33/51/343123351.db2.gz KXFRLAUUNHWVSK-QMMMGPOBSA-N 2 0 201.314 -0.057 20 0 BBADRP C[NH+](C)CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237100451 388390197 /nfs/dbraw/zinc/39/01/97/388390197.db2.gz VPPYQUULCSDKGZ-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237100481 388390191 /nfs/dbraw/zinc/39/01/91/388390191.db2.gz VPPYQUULCSDKGZ-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C[NH2+]CCOC ZINC000237117982 384929834 /nfs/dbraw/zinc/92/98/34/384929834.db2.gz UXZCCWKWJQMELB-VIFPVBQESA-N 2 0 217.313 -0.806 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237118022 388390279 /nfs/dbraw/zinc/39/02/79/388390279.db2.gz NKLBBSMYHNCEQQ-QWRGUYRKSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237118048 259680964 /nfs/dbraw/zinc/68/09/64/259680964.db2.gz NKLBBSMYHNCEQQ-WDEREUQCSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CC1)C1CC1 ZINC000237132029 386359778 /nfs/dbraw/zinc/35/97/78/386359778.db2.gz MEXOLYGUFVUHHQ-VIFPVBQESA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C[NH2+]C ZINC000237132117 343126928 /nfs/dbraw/zinc/12/69/28/343126928.db2.gz YDMDJPOPURBMFV-IUCAKERBSA-N 2 0 201.314 -0.186 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000237137919 343126984 /nfs/dbraw/zinc/12/69/84/343126984.db2.gz YQHRCSCMNMCTME-IUCAKERBSA-N 2 0 201.314 -0.059 20 0 BBADRP COCC[NH2+]CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000237140709 343127471 /nfs/dbraw/zinc/12/74/71/343127471.db2.gz DNVWKZSMVZKTPX-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP COCC[NH2+]CC(=O)N(C)[C@H](C)C[NH3+] ZINC000237141781 343127600 /nfs/dbraw/zinc/12/76/00/343127600.db2.gz DNVWKZSMVZKTPX-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000237143133 388391123 /nfs/dbraw/zinc/39/11/23/388391123.db2.gz FTUREPYJJUPAPI-QWRGUYRKSA-N 2 0 241.335 -0.569 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C[NH2+]C ZINC000237147052 343127538 /nfs/dbraw/zinc/12/75/38/343127538.db2.gz YDMDJPOPURBMFV-DTWKUNHWSA-N 2 0 201.314 -0.186 20 0 BBADRP COCC[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000237147145 343127607 /nfs/dbraw/zinc/12/76/07/343127607.db2.gz HXQZQBMTHYCYIK-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[NH2+]CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000237147174 343127482 /nfs/dbraw/zinc/12/74/82/343127482.db2.gz HXQZQBMTHYCYIK-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[NH2+]CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237147668 343127587 /nfs/dbraw/zinc/12/75/87/343127587.db2.gz HXQZQBMTHYCYIK-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[NH2+]CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000237147700 343127595 /nfs/dbraw/zinc/12/75/95/343127595.db2.gz HXQZQBMTHYCYIK-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237148253 343127446 /nfs/dbraw/zinc/12/74/46/343127446.db2.gz KJCMHPLRFZFHDV-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237148281 343127670 /nfs/dbraw/zinc/12/76/70/343127670.db2.gz KJCMHPLRFZFHDV-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000237148701 388390452 /nfs/dbraw/zinc/39/04/52/388390452.db2.gz FTUREPYJJUPAPI-WDEREUQCSA-N 2 0 241.335 -0.569 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC1 ZINC000237148978 259681769 /nfs/dbraw/zinc/68/17/69/259681769.db2.gz QKIJPDBPFIJGCQ-MXWKQRLJSA-N 2 0 241.335 -0.834 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237150191 343127764 /nfs/dbraw/zinc/12/77/64/343127764.db2.gz KJCMHPLRFZFHDV-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237150221 343127405 /nfs/dbraw/zinc/12/74/05/343127405.db2.gz KJCMHPLRFZFHDV-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237152215 343126877 /nfs/dbraw/zinc/12/68/77/343126877.db2.gz GTQWBCIEROSSKQ-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000237154074 387924672 /nfs/dbraw/zinc/92/46/72/387924672.db2.gz MDAUAGJQYKWULL-ZJUUUORDSA-N 2 0 229.324 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000237154106 387924289 /nfs/dbraw/zinc/92/42/89/387924289.db2.gz MDAUAGJQYKWULL-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000237154516 387924947 /nfs/dbraw/zinc/92/49/47/387924947.db2.gz MDAUAGJQYKWULL-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000237154545 387925461 /nfs/dbraw/zinc/92/54/61/387925461.db2.gz MDAUAGJQYKWULL-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP C[NH2+]CCCC(=O)NCC[NH2+]CCOC ZINC000237164535 343127949 /nfs/dbraw/zinc/12/79/49/343127949.db2.gz MXMHCWBKDIGTSA-UHFFFAOYSA-N 2 0 217.313 -0.662 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@@H](C)C[NH2+]C ZINC000237169840 488107159 /nfs/dbraw/zinc/10/71/59/488107159.db2.gz WEWUZFUVNGWSMB-VIFPVBQESA-N 2 0 201.314 -0.042 20 0 BBADRP COCC[NH2+]CC(=O)NC1(C[NH3+])CCCC1 ZINC000237171365 388391021 /nfs/dbraw/zinc/39/10/21/388391021.db2.gz VJEYKZFPKXXRDY-UHFFFAOYSA-N 2 0 229.324 -0.390 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@H](C)C[NH2+]C ZINC000237175215 487637615 /nfs/dbraw/zinc/63/76/15/487637615.db2.gz WEWUZFUVNGWSMB-SECBINFHSA-N 2 0 201.314 -0.042 20 0 BBADRP COCC[NH2+]CC(=O)NCC[NH2+]C1CC1 ZINC000237182959 488113461 /nfs/dbraw/zinc/11/34/61/488113461.db2.gz DZOVTNHAYLSEAO-UHFFFAOYSA-N 2 0 215.297 -0.909 20 0 BBADRP COCC[NH2+]CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237184714 343128617 /nfs/dbraw/zinc/12/86/17/343128617.db2.gz SOVJGSXDKLDUQQ-NSHDSACASA-N 2 0 243.351 -0.272 20 0 BBADRP COCC[NH2+]CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237184842 343128398 /nfs/dbraw/zinc/12/83/98/343128398.db2.gz SOVJGSXDKLDUQQ-LLVKDONJSA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH+](C)[C@H](CNC(=O)C1([NH3+])CC1)C1CC1 ZINC000237187872 172532951 /nfs/dbraw/zinc/53/29/51/172532951.db2.gz MEXOLYGUFVUHHQ-SECBINFHSA-N 2 0 211.309 -0.066 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000237188818 174216508 /nfs/dbraw/zinc/21/65/08/174216508.db2.gz OGKPMYVVLCRTQJ-UHFFFAOYSA-N 2 0 231.340 -0.192 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000237188902 174215914 /nfs/dbraw/zinc/21/59/14/174215914.db2.gz UEXBOINEAQIFAQ-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)CCC[NH3+] ZINC000237189264 174216347 /nfs/dbraw/zinc/21/63/47/174216347.db2.gz WKHGKZTWGZGJBO-UHFFFAOYSA-N 2 0 231.340 -0.190 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)CC[NH3+] ZINC000237189309 174216794 /nfs/dbraw/zinc/21/67/94/174216794.db2.gz PUUFAEUNUCJJIO-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)C[NH3+] ZINC000237189352 174216035 /nfs/dbraw/zinc/21/60/35/174216035.db2.gz VNUULQHEATWCDU-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000237189721 174331638 /nfs/dbraw/zinc/33/16/38/174331638.db2.gz UVJATXRVJWWBGN-NSHDSACASA-N 2 0 243.351 -0.321 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000237189808 174216056 /nfs/dbraw/zinc/21/60/56/174216056.db2.gz DABQNNPIVTYYMJ-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237190166 174215888 /nfs/dbraw/zinc/21/58/88/174215888.db2.gz OSGYPLKCWZRRFN-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237190210 174214951 /nfs/dbraw/zinc/21/49/51/174214951.db2.gz DPWXIYMNMCUXMN-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237190275 343128468 /nfs/dbraw/zinc/12/84/68/343128468.db2.gz LXVNKZOAALOTFI-SECBINFHSA-N 2 0 215.297 -0.924 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000237190746 174215590 /nfs/dbraw/zinc/21/55/90/174215590.db2.gz OSGYPLKCWZRRFN-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000237190780 174216023 /nfs/dbraw/zinc/21/60/23/174216023.db2.gz DPWXIYMNMCUXMN-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000237191701 343128406 /nfs/dbraw/zinc/12/84/06/343128406.db2.gz XVUJPGBTZZKYFC-LLVKDONJSA-N 2 0 242.367 -0.747 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237192252 488116907 /nfs/dbraw/zinc/11/69/07/488116907.db2.gz PTAXVQMPVVVQKE-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000237194475 174331343 /nfs/dbraw/zinc/33/13/43/174331343.db2.gz UVJATXRVJWWBGN-LLVKDONJSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000237195999 388390841 /nfs/dbraw/zinc/39/08/41/388390841.db2.gz FTUREPYJJUPAPI-MNOVXSKESA-N 2 0 241.335 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237196248 488116832 /nfs/dbraw/zinc/11/68/32/488116832.db2.gz PTAXVQMPVVVQKE-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000237200777 388390559 /nfs/dbraw/zinc/39/05/59/388390559.db2.gz FTUREPYJJUPAPI-GHMZBOCLSA-N 2 0 241.335 -0.569 20 0 BBADRP C[NH2+]CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237201822 173326508 /nfs/dbraw/zinc/32/65/08/173326508.db2.gz YOBYRCFKIDSZPK-NSHDSACASA-N 2 0 241.335 -0.614 20 0 BBADRP C[NH2+]CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000237201852 173327102 /nfs/dbraw/zinc/32/71/02/173327102.db2.gz YOBYRCFKIDSZPK-LLVKDONJSA-N 2 0 241.335 -0.614 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237205346 343131076 /nfs/dbraw/zinc/13/10/76/343131076.db2.gz LLQOMEMJXSPEBE-NXEZZACHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237208862 343130954 /nfs/dbraw/zinc/13/09/54/343130954.db2.gz LLQOMEMJXSPEBE-ZJUUUORDSA-N 2 0 213.325 -0.042 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237214752 343130941 /nfs/dbraw/zinc/13/09/41/343130941.db2.gz FEZYKIDTDRVHRP-VIFPVBQESA-N 2 0 215.297 -0.924 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000237214844 174331148 /nfs/dbraw/zinc/33/11/48/174331148.db2.gz BUFBTEDVQPPDPX-SNVBAGLBSA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237218378 174331267 /nfs/dbraw/zinc/33/12/67/174331267.db2.gz AIBKUNANNBGACM-GHMZBOCLSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000237218456 174331491 /nfs/dbraw/zinc/33/14/91/174331491.db2.gz AIBKUNANNBGACM-WDEREUQCSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237218525 343131764 /nfs/dbraw/zinc/13/17/64/343131764.db2.gz PWONWSDHFBDUJE-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237221819 173328962 /nfs/dbraw/zinc/32/89/62/173328962.db2.gz NCVZUJUUVXFDLM-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237221876 173328913 /nfs/dbraw/zinc/32/89/13/173328913.db2.gz NCVZUJUUVXFDLM-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237221905 173328828 /nfs/dbraw/zinc/32/88/28/173328828.db2.gz NCVZUJUUVXFDLM-PHIMTYICSA-N 2 0 243.351 -0.179 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000237222582 343131547 /nfs/dbraw/zinc/13/15/47/343131547.db2.gz CAIWAPGZZRXZRJ-NSHDSACASA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237222627 343131677 /nfs/dbraw/zinc/13/16/77/343131677.db2.gz RIDSXYMQJKZLCF-NSHDSACASA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]CC(=O)NCC[N@H+](C)CCCOC ZINC000237224055 173328687 /nfs/dbraw/zinc/32/86/87/173328687.db2.gz BBGJTEJAFZDDKC-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[NH2+]CCOC ZINC000237227115 488121785 /nfs/dbraw/zinc/12/17/85/488121785.db2.gz XRQFUASPFIHWEO-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000237227823 343131615 /nfs/dbraw/zinc/13/16/15/343131615.db2.gz FEZYKIDTDRVHRP-SECBINFHSA-N 2 0 215.297 -0.924 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000237227890 174331502 /nfs/dbraw/zinc/33/15/02/174331502.db2.gz BUFBTEDVQPPDPX-JTQLQIEISA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000237230367 174331440 /nfs/dbraw/zinc/33/14/40/174331440.db2.gz AIBKUNANNBGACM-MNOVXSKESA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000237230427 174331582 /nfs/dbraw/zinc/33/15/82/174331582.db2.gz AIBKUNANNBGACM-QWRGUYRKSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[NH2+]CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000237233151 343130717 /nfs/dbraw/zinc/13/07/17/343130717.db2.gz CAIWAPGZZRXZRJ-LLVKDONJSA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[NH2+]CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237233183 343130781 /nfs/dbraw/zinc/13/07/81/343130781.db2.gz RIDSXYMQJKZLCF-LLVKDONJSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000237234078 173330438 /nfs/dbraw/zinc/33/04/38/173330438.db2.gz GJDUJAYFRKBDAW-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000237234527 173330392 /nfs/dbraw/zinc/33/03/92/173330392.db2.gz VZEAQPIRXUUXNR-LLVKDONJSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000237238167 173330657 /nfs/dbraw/zinc/33/06/57/173330657.db2.gz GJDUJAYFRKBDAW-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000237238507 173330742 /nfs/dbraw/zinc/33/07/42/173330742.db2.gz VZEAQPIRXUUXNR-NSHDSACASA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000237265017 173332210 /nfs/dbraw/zinc/33/22/10/173332210.db2.gz ISKFABSBLYBIEU-RKDXNWHRSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000237265046 173331315 /nfs/dbraw/zinc/33/13/15/173331315.db2.gz ISKFABSBLYBIEU-DTWKUNHWSA-N 2 0 211.309 -0.053 20 0 BBADRP COCC[NH2+]CCNC(=O)CC1([NH3+])CCC1 ZINC000237269555 488136278 /nfs/dbraw/zinc/13/62/78/488136278.db2.gz NHRGGZDWPHJGOG-UHFFFAOYSA-N 2 0 229.324 -0.390 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C[NH3+] ZINC000237274989 343131707 /nfs/dbraw/zinc/13/17/07/343131707.db2.gz KXFRLAUUNHWVSK-MRVPVSSYSA-N 2 0 201.314 -0.057 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000237275948 173332698 /nfs/dbraw/zinc/33/26/98/173332698.db2.gz ISKFABSBLYBIEU-BDAKNGLRSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000237275985 173333241 /nfs/dbraw/zinc/33/32/41/173333241.db2.gz ISKFABSBLYBIEU-IUCAKERBSA-N 2 0 211.309 -0.053 20 0 BBADRP COCC[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC000237277006 174332284 /nfs/dbraw/zinc/33/22/84/174332284.db2.gz VOZOYYBPCDVNII-UHFFFAOYSA-N 2 0 231.340 -0.321 20 0 BBADRP COCC[NH2+]CCNC(=O)C[NH2+]C1CC1 ZINC000237278291 343131757 /nfs/dbraw/zinc/13/17/57/343131757.db2.gz LKTLUPLJMKVBAC-UHFFFAOYSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237283839 343132597 /nfs/dbraw/zinc/13/25/97/343132597.db2.gz WYXDOSIIWZIYGL-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCN(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237283868 343132635 /nfs/dbraw/zinc/13/26/35/343132635.db2.gz WYXDOSIIWZIYGL-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C[NH2+]CCOC ZINC000237289784 343132296 /nfs/dbraw/zinc/13/22/96/343132296.db2.gz UXZCCWKWJQMELB-SECBINFHSA-N 2 0 217.313 -0.806 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237289815 259682406 /nfs/dbraw/zinc/68/24/06/259682406.db2.gz NKLBBSMYHNCEQQ-MNOVXSKESA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237289846 388392799 /nfs/dbraw/zinc/39/27/99/388392799.db2.gz NKLBBSMYHNCEQQ-GHMZBOCLSA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237293168 343132134 /nfs/dbraw/zinc/13/21/34/343132134.db2.gz WTHJVHPRABLWNT-SECBINFHSA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237295586 343132187 /nfs/dbraw/zinc/13/21/87/343132187.db2.gz YCBVFJZPDVUUEA-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237296211 343131944 /nfs/dbraw/zinc/13/19/44/343131944.db2.gz XDGGTIBRSWYIIE-GHMZBOCLSA-N 2 0 243.351 -0.144 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C[NH2+]C ZINC000237300002 343132458 /nfs/dbraw/zinc/13/24/58/343132458.db2.gz YDMDJPOPURBMFV-BDAKNGLRSA-N 2 0 201.314 -0.186 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)C[NH2+]C ZINC000237310354 343134243 /nfs/dbraw/zinc/13/42/43/343134243.db2.gz YDMDJPOPURBMFV-RKDXNWHRSA-N 2 0 201.314 -0.186 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000237314991 343133889 /nfs/dbraw/zinc/13/38/89/343133889.db2.gz XVUJPGBTZZKYFC-NSHDSACASA-N 2 0 242.367 -0.747 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCC[NH2+]CCOC ZINC000237317879 358941001 /nfs/dbraw/zinc/94/10/01/358941001.db2.gz PYENCIWKSYNFEC-VIFPVBQESA-N 2 0 217.313 -0.806 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237325170 343134935 /nfs/dbraw/zinc/13/49/35/343134935.db2.gz LLQOMEMJXSPEBE-VHSXEESVSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237328495 343134792 /nfs/dbraw/zinc/13/47/92/343134792.db2.gz LLQOMEMJXSPEBE-UWVGGRQHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237334107 388393027 /nfs/dbraw/zinc/39/30/27/388393027.db2.gz MPXDZMDTNBSMBF-UWVGGRQHSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237334133 388393217 /nfs/dbraw/zinc/39/32/17/388393217.db2.gz MPXDZMDTNBSMBF-VHSXEESVSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237339593 388393071 /nfs/dbraw/zinc/39/30/71/388393071.db2.gz PCFBYHMRDQVDNT-DTWKUNHWSA-N 2 0 231.365 -0.208 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237340478 388394088 /nfs/dbraw/zinc/39/40/88/388394088.db2.gz PCFBYHMRDQVDNT-IUCAKERBSA-N 2 0 231.365 -0.208 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH2+]C2CC2)[C@@H](C)C[NH2+]1 ZINC000237425157 343139405 /nfs/dbraw/zinc/13/94/05/343139405.db2.gz MLTDJNPGQNNZNL-BDAKNGLRSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH2+]C2CC2)[C@H](C)C[NH2+]1 ZINC000237425184 343139256 /nfs/dbraw/zinc/13/92/56/343139256.db2.gz MLTDJNPGQNNZNL-RKDXNWHRSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[NH2+]1 ZINC000237425229 388395184 /nfs/dbraw/zinc/39/51/84/388395184.db2.gz IVHJEPYULGGTRQ-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[NH2+]1 ZINC000237425509 388394837 /nfs/dbraw/zinc/39/48/37/388394837.db2.gz IVHJEPYULGGTRQ-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237430175 343139478 /nfs/dbraw/zinc/13/94/78/343139478.db2.gz GOJVWHUZDCXRFB-DTWKUNHWSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000237431003 343139851 /nfs/dbraw/zinc/13/98/51/343139851.db2.gz GOJVWHUZDCXRFB-IUCAKERBSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237433749 488156545 /nfs/dbraw/zinc/15/65/45/488156545.db2.gz IBHHDECHHXVMDY-DCAQKATOSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[NH+](CCCCNC(=O)C[NH3+])C[C@@H](C)O1 ZINC000237447203 176287383 /nfs/dbraw/zinc/28/73/83/176287383.db2.gz NNEIPNXTONGDPY-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]1C[NH+](CCCNC(=O)CC[NH3+])C[C@@H](C)O1 ZINC000237447575 176288897 /nfs/dbraw/zinc/28/88/97/176288897.db2.gz QYJGEUQSUJEPMA-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]1C[NH+](CCCNC(=O)C[NH3+])C[C@@H](C)O1 ZINC000237447621 176289948 /nfs/dbraw/zinc/28/99/48/176289948.db2.gz TTZHQCRNAUPLTA-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000237451232 398111775 /nfs/dbraw/zinc/11/17/75/398111775.db2.gz SBHZRCLMJXJISG-UTLUCORTSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000237452103 176257080 /nfs/dbraw/zinc/25/70/80/176257080.db2.gz WOYOKHMNMSYJPH-KOLCDFICSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000237458062 136272192 /nfs/dbraw/zinc/27/21/92/136272192.db2.gz SBHZRCLMJXJISG-KXUCPTDWSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000237458665 136272268 /nfs/dbraw/zinc/27/22/68/136272268.db2.gz WOYOKHMNMSYJPH-MWLCHTKSSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]([NH3+])C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237459211 176289261 /nfs/dbraw/zinc/28/92/61/176289261.db2.gz PEVIBVIXLWSRSS-GMTAPVOTSA-N 2 0 243.351 -0.051 20 0 BBADRP C[C@@H]([NH3+])C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237459245 343142536 /nfs/dbraw/zinc/14/25/36/343142536.db2.gz PEVIBVIXLWSRSS-GARJFASQSA-N 2 0 243.351 -0.051 20 0 BBADRP C[C@@H]([NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237459278 177249974 /nfs/dbraw/zinc/24/99/74/177249974.db2.gz PEVIBVIXLWSRSS-OUAUKWLOSA-N 2 0 243.351 -0.051 20 0 BBADRP C[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000237485609 136272225 /nfs/dbraw/zinc/27/22/25/136272225.db2.gz CSFWPCMINBRUJT-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000237496048 343144669 /nfs/dbraw/zinc/14/46/69/343144669.db2.gz TXKMSINIDRGSOC-GFCCVEGCSA-N 2 0 240.351 -0.993 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000237504493 398111925 /nfs/dbraw/zinc/11/19/25/398111925.db2.gz MVBRJTXWFZVSAT-MWLCHTKSSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000237505956 343147355 /nfs/dbraw/zinc/14/73/55/343147355.db2.gz MVBRJTXWFZVSAT-GXSJLCMTSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H]1C[NH3+] ZINC000237513846 136272236 /nfs/dbraw/zinc/27/22/36/136272236.db2.gz SVKSYHIPLDLRHW-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000237514045 136272279 /nfs/dbraw/zinc/27/22/79/136272279.db2.gz JWMMRFFJONVITK-MWLCHTKSSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000237514568 398111686 /nfs/dbraw/zinc/11/16/86/398111686.db2.gz OVISJUZQMQHOOK-KOLCDFICSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000237515176 136272175 /nfs/dbraw/zinc/27/21/75/136272175.db2.gz JWMMRFFJONVITK-GXSJLCMTSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000237515519 388395505 /nfs/dbraw/zinc/39/55/05/388395505.db2.gz OVISJUZQMQHOOK-ONGXEEELSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237530950 388396202 /nfs/dbraw/zinc/39/62/02/388396202.db2.gz MPXDZMDTNBSMBF-ZJUUUORDSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237530986 388395466 /nfs/dbraw/zinc/39/54/66/388395466.db2.gz MPXDZMDTNBSMBF-NXEZZACHSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237535356 388396163 /nfs/dbraw/zinc/39/61/63/388396163.db2.gz PCFBYHMRDQVDNT-RKDXNWHRSA-N 2 0 231.365 -0.208 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237536237 388395533 /nfs/dbraw/zinc/39/55/33/388395533.db2.gz PCFBYHMRDQVDNT-BDAKNGLRSA-N 2 0 231.365 -0.208 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237546928 487482543 /nfs/dbraw/zinc/48/25/43/487482543.db2.gz IBHHDECHHXVMDY-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1CN(C(=O)C[NH2+]C2CC2)[C@@H](C)C[NH2+]1 ZINC000237598421 343152514 /nfs/dbraw/zinc/15/25/14/343152514.db2.gz MLTDJNPGQNNZNL-IUCAKERBSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C[NH2+]C1CC1 ZINC000237598455 343152417 /nfs/dbraw/zinc/15/24/17/343152417.db2.gz MLTDJNPGQNNZNL-DTWKUNHWSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[NH2+]1 ZINC000237598492 323108446 /nfs/dbraw/zinc/10/84/46/323108446.db2.gz IVHJEPYULGGTRQ-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[NH2+]1 ZINC000237598805 388397286 /nfs/dbraw/zinc/39/72/86/388397286.db2.gz IVHJEPYULGGTRQ-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[NH2+]1 ZINC000237608308 177217451 /nfs/dbraw/zinc/21/74/51/177217451.db2.gz VMTSWVPHBBPDSH-VHSXEESVSA-N 2 0 243.376 -0.098 20 0 BBADRP C[C@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[NH2+]1 ZINC000237610150 177217889 /nfs/dbraw/zinc/21/78/89/177217889.db2.gz VMTSWVPHBBPDSH-UWVGGRQHSA-N 2 0 243.376 -0.098 20 0 BBADRP C[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[NH+](C)C ZINC000237610951 487492789 /nfs/dbraw/zinc/49/27/89/487492789.db2.gz BJDJOEHVCUAXSG-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237611332 343157761 /nfs/dbraw/zinc/15/77/61/343157761.db2.gz GOJVWHUZDCXRFB-RKDXNWHRSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000237612212 343157727 /nfs/dbraw/zinc/15/77/27/343157727.db2.gz GOJVWHUZDCXRFB-BDAKNGLRSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237622517 177247717 /nfs/dbraw/zinc/24/77/17/177247717.db2.gz NNEIPNXTONGDPY-PHIMTYICSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]1C[NH+](CCCCNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237622552 177247940 /nfs/dbraw/zinc/24/79/40/177247940.db2.gz NNEIPNXTONGDPY-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000237622795 259684570 /nfs/dbraw/zinc/68/45/70/259684570.db2.gz SBHZRCLMJXJISG-GUBZILKMSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1C[N@@H+](CCCNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000237623073 177249466 /nfs/dbraw/zinc/24/94/66/177249466.db2.gz QYJGEUQSUJEPMA-PHIMTYICSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]1C[NH+](CCCNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000237623104 177249188 /nfs/dbraw/zinc/24/91/88/177249188.db2.gz QYJGEUQSUJEPMA-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237623141 177249316 /nfs/dbraw/zinc/24/93/16/177249316.db2.gz TTZHQCRNAUPLTA-AOOOYVTPSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]1C[NH+](CCCNC(=O)C[NH3+])C[C@H](C)O1 ZINC000237623172 177249533 /nfs/dbraw/zinc/24/95/33/177249533.db2.gz TTZHQCRNAUPLTA-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000237623630 388397872 /nfs/dbraw/zinc/39/78/72/388397872.db2.gz WOYOKHMNMSYJPH-ONGXEEELSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000237631300 388397940 /nfs/dbraw/zinc/39/79/40/388397940.db2.gz SBHZRCLMJXJISG-LPEHRKFASA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000237631530 398112450 /nfs/dbraw/zinc/11/24/50/398112450.db2.gz WKGPFTDNHOLQKA-ONGXEEELSA-N 2 0 227.308 -0.782 20 0 BBADRP C[C@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000237632070 136212907 /nfs/dbraw/zinc/21/29/07/136212907.db2.gz WOYOKHMNMSYJPH-GXSJLCMTSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H]1C[NH3+] ZINC000237705744 388398273 /nfs/dbraw/zinc/39/82/73/388398273.db2.gz SVKSYHIPLDLRHW-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000237749705 387377926 /nfs/dbraw/zinc/37/79/26/387377926.db2.gz CSFWPCMINBRUJT-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000237756471 343180320 /nfs/dbraw/zinc/18/03/20/343180320.db2.gz TXKMSINIDRGSOC-LBPRGKRZSA-N 2 0 240.351 -0.993 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000237762404 343180881 /nfs/dbraw/zinc/18/08/81/343180881.db2.gz MVBRJTXWFZVSAT-KOLCDFICSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000237763495 343180887 /nfs/dbraw/zinc/18/08/87/343180887.db2.gz MVBRJTXWFZVSAT-ONGXEEELSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000237768845 388398506 /nfs/dbraw/zinc/39/85/06/388398506.db2.gz JWMMRFFJONVITK-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000237769234 398112570 /nfs/dbraw/zinc/11/25/70/398112570.db2.gz OVISJUZQMQHOOK-MWLCHTKSSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000237769880 134846418 /nfs/dbraw/zinc/84/64/18/134846418.db2.gz JWMMRFFJONVITK-ONGXEEELSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000237770264 177456486 /nfs/dbraw/zinc/45/64/86/177456486.db2.gz OVISJUZQMQHOOK-GXSJLCMTSA-N 2 0 211.309 -0.003 20 0 BBADRP [NH3+]C1(C(=O)NCCN2CC[NH2+]CC2)CCCC1 ZINC000237790807 487515946 /nfs/dbraw/zinc/51/59/46/487515946.db2.gz IIQVLMPQHAYCTK-UHFFFAOYSA-N 2 0 240.351 -0.721 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237839083 387928394 /nfs/dbraw/zinc/92/83/94/387928394.db2.gz ZPJGMHNWXCMEOF-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000237868901 487528767 /nfs/dbraw/zinc/52/87/67/487528767.db2.gz RWXZDXXMIATPGY-QWRGUYRKSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000237868963 487529133 /nfs/dbraw/zinc/52/91/33/487529133.db2.gz RWXZDXXMIATPGY-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)C1CC1 ZINC000237875922 343214614 /nfs/dbraw/zinc/21/46/14/343214614.db2.gz GETSQPNLDYXPMY-ZJUUUORDSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)C1CC1 ZINC000237876425 343214665 /nfs/dbraw/zinc/21/46/65/343214665.db2.gz GETSQPNLDYXPMY-UWVGGRQHSA-N 2 0 243.376 -0.065 20 0 BBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1C[NH2+]C1 ZINC000237880838 387929485 /nfs/dbraw/zinc/92/94/85/387929485.db2.gz JLANLTLSCNEOHH-PBINXNQUSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[NH2+]CC1 ZINC000237886594 343214203 /nfs/dbraw/zinc/21/42/03/343214203.db2.gz PXXSEWVTGNKUFR-NSHDSACASA-N 2 0 241.335 -0.423 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000237887947 343215006 /nfs/dbraw/zinc/21/50/06/343215006.db2.gz QOHCKRSMLUKTNE-JTQLQIEISA-N 2 0 227.308 -0.813 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC[NH2+]C1CC1 ZINC000237898977 487531080 /nfs/dbraw/zinc/53/10/80/487531080.db2.gz QXWBUSNCVMIJEI-NSHDSACASA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000237913035 487638373 /nfs/dbraw/zinc/63/83/73/487638373.db2.gz VWURXANMAYJOGJ-UWVGGRQHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000237915155 487638410 /nfs/dbraw/zinc/63/84/10/487638410.db2.gz VWURXANMAYJOGJ-VHSXEESVSA-N 2 0 211.309 -0.003 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000237918443 487534068 /nfs/dbraw/zinc/53/40/68/487534068.db2.gz NWKKOYRKUKXCRM-WDEREUQCSA-N 2 0 240.351 -0.865 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000237918809 487533650 /nfs/dbraw/zinc/53/36/50/487533650.db2.gz VRIRIXJLVRDDOH-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[NH2+]CC1 ZINC000237920488 343218926 /nfs/dbraw/zinc/21/89/26/343218926.db2.gz PXXSEWVTGNKUFR-LLVKDONJSA-N 2 0 241.335 -0.423 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC000237921513 343220223 /nfs/dbraw/zinc/22/02/23/343220223.db2.gz QOHCKRSMLUKTNE-SNVBAGLBSA-N 2 0 227.308 -0.813 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000237923316 388399599 /nfs/dbraw/zinc/39/95/99/388399599.db2.gz MQAAXIDEKIBMJZ-DTWKUNHWSA-N 2 0 229.349 -0.359 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000237923410 387143207 /nfs/dbraw/zinc/14/32/07/387143207.db2.gz MQAAXIDEKIBMJZ-IUCAKERBSA-N 2 0 229.349 -0.359 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237927170 487535063 /nfs/dbraw/zinc/53/50/63/487535063.db2.gz ILCVSYVUCGIKMX-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000237928575 487638419 /nfs/dbraw/zinc/63/84/19/487638419.db2.gz ILCVSYVUCGIKMX-LPEHRKFASA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC[NH2+]C1CC1 ZINC000237929796 487535255 /nfs/dbraw/zinc/53/52/55/487535255.db2.gz QXWBUSNCVMIJEI-LLVKDONJSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237931412 134847493 /nfs/dbraw/zinc/84/74/93/134847493.db2.gz NWHROPDKPMKGTD-VIFPVBQESA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237934062 387928799 /nfs/dbraw/zinc/92/87/99/387928799.db2.gz FCJCWMLBNJAZFL-LBPRGKRZSA-N 2 0 231.299 -0.211 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000237934771 134847080 /nfs/dbraw/zinc/84/70/80/134847080.db2.gz NWHROPDKPMKGTD-SECBINFHSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237936216 134847310 /nfs/dbraw/zinc/84/73/10/134847310.db2.gz FCJCWMLBNJAZFL-GFCCVEGCSA-N 2 0 231.299 -0.211 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237950919 387929581 /nfs/dbraw/zinc/92/95/81/387929581.db2.gz ZPJGMHNWXCMEOF-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000237978073 487542147 /nfs/dbraw/zinc/54/21/47/487542147.db2.gz VWURXANMAYJOGJ-ZJUUUORDSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000237980306 487547088 /nfs/dbraw/zinc/54/70/88/487547088.db2.gz VWURXANMAYJOGJ-NXEZZACHSA-N 2 0 211.309 -0.003 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)C1CC1 ZINC000237989570 388399912 /nfs/dbraw/zinc/39/99/12/388399912.db2.gz GXHQTYHUOQCCBZ-ZJUUUORDSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)C1CC1 ZINC000237990120 388400137 /nfs/dbraw/zinc/40/01/37/388400137.db2.gz GXHQTYHUOQCCBZ-UWVGGRQHSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237998163 387930763 /nfs/dbraw/zinc/93/07/63/387930763.db2.gz ANVYMHQCFXMKSU-GUBZILKMSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COCCN1 ZINC000237998192 384460143 /nfs/dbraw/zinc/46/01/43/384460143.db2.gz DUGYJGAFJXTINE-GUBZILKMSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000237999695 343221745 /nfs/dbraw/zinc/22/17/45/343221745.db2.gz ZNYKJURKVMDTBP-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000238010021 343237352 /nfs/dbraw/zinc/23/73/52/343237352.db2.gz ZNYKJURKVMDTBP-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CC1(NC(=O)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000238018227 387931561 /nfs/dbraw/zinc/93/15/61/387931561.db2.gz TVBWALAICHNICZ-VIFPVBQESA-N 2 0 227.308 -0.638 20 0 BBADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000238026296 343238425 /nfs/dbraw/zinc/23/84/25/343238425.db2.gz DLEVOPROCOXGKE-NSHDSACASA-N 2 0 240.351 -0.850 20 0 BBADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000238028514 343238594 /nfs/dbraw/zinc/23/85/94/343238594.db2.gz DLEVOPROCOXGKE-LLVKDONJSA-N 2 0 240.351 -0.850 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000238035819 134848181 /nfs/dbraw/zinc/84/81/81/134848181.db2.gz ANVYMHQCFXMKSU-AEJSXWLSSA-N 2 0 227.308 -0.782 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000238053805 487559909 /nfs/dbraw/zinc/55/99/09/487559909.db2.gz YKIMTTHAKWKKRN-SNVBAGLBSA-N 2 0 243.376 -0.050 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000238061126 387931468 /nfs/dbraw/zinc/93/14/68/387931468.db2.gz UDQIJSWXBYYPDD-NXEZZACHSA-N 2 0 243.376 -0.050 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000238062631 387931275 /nfs/dbraw/zinc/93/12/75/387931275.db2.gz UDQIJSWXBYYPDD-VHSXEESVSA-N 2 0 243.376 -0.050 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000238064039 487559022 /nfs/dbraw/zinc/55/90/22/487559022.db2.gz RWXZDXXMIATPGY-WDEREUQCSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000238064092 487558705 /nfs/dbraw/zinc/55/87/05/487558705.db2.gz RWXZDXXMIATPGY-GHMZBOCLSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)C1CC1 ZINC000238067903 343239657 /nfs/dbraw/zinc/23/96/57/343239657.db2.gz GETSQPNLDYXPMY-NXEZZACHSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)C1CC1 ZINC000238068288 343239200 /nfs/dbraw/zinc/23/92/00/343239200.db2.gz GETSQPNLDYXPMY-VHSXEESVSA-N 2 0 243.376 -0.065 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000238087157 488157844 /nfs/dbraw/zinc/15/78/44/488157844.db2.gz YKIMTTHAKWKKRN-JTQLQIEISA-N 2 0 243.376 -0.050 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000238092237 387930850 /nfs/dbraw/zinc/93/08/50/387930850.db2.gz UDQIJSWXBYYPDD-ZJUUUORDSA-N 2 0 243.376 -0.050 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000238093482 387931143 /nfs/dbraw/zinc/93/11/43/387931143.db2.gz UDQIJSWXBYYPDD-UWVGGRQHSA-N 2 0 243.376 -0.050 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000238101205 487638462 /nfs/dbraw/zinc/63/84/62/487638462.db2.gz JIZFKBRTYLSALX-JTQLQIEISA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@H]1CCCC[NH2+]1 ZINC000238103425 487561939 /nfs/dbraw/zinc/56/19/39/487561939.db2.gz JIZFKBRTYLSALX-SNVBAGLBSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000238116616 182294370 /nfs/dbraw/zinc/29/43/70/182294370.db2.gz CDOAYGVBWNASBL-ZJUUUORDSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000238141050 182199681 /nfs/dbraw/zinc/19/96/81/182199681.db2.gz QLVOHZDSTLYADI-QWRGUYRKSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000238141666 182329340 /nfs/dbraw/zinc/32/93/40/182329340.db2.gz CDOAYGVBWNASBL-UWVGGRQHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000238151782 182200063 /nfs/dbraw/zinc/20/00/63/182200063.db2.gz QLVOHZDSTLYADI-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP CC[C@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000238307511 642314020 /nfs/dbraw/zinc/31/40/20/642314020.db2.gz BZIPJGFTNFAGKS-VIFPVBQESA-N 2 0 202.298 -0.457 20 0 BBADRP COC[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000238347557 487572893 /nfs/dbraw/zinc/57/28/93/487572893.db2.gz WZVTUNHGDRUAGK-VIFPVBQESA-N 2 0 202.298 -0.193 20 0 BBADRP COC[C@@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000238367290 487578144 /nfs/dbraw/zinc/57/81/44/487578144.db2.gz WZVTUNHGDRUAGK-SECBINFHSA-N 2 0 202.298 -0.193 20 0 BBADRP NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000238544497 385216137 /nfs/dbraw/zinc/21/61/37/385216137.db2.gz GBCBHYGJABZYKG-NXEZZACHSA-N 2 0 211.309 -0.207 20 0 BBADRP NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000238544568 388402059 /nfs/dbraw/zinc/40/20/59/388402059.db2.gz GBCBHYGJABZYKG-ZJUUUORDSA-N 2 0 211.309 -0.207 20 0 BBADRP C[NH+](C)CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000243377057 134851740 /nfs/dbraw/zinc/85/17/40/134851740.db2.gz MENPMUHPJWQWQR-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH+](C)CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000243377058 387938708 /nfs/dbraw/zinc/93/87/08/387938708.db2.gz MENPMUHPJWQWQR-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP CC[NH+](CC)CCNC(=O)N1CC[NH2+]CC1 ZINC000243431095 388479931 /nfs/dbraw/zinc/47/99/31/388479931.db2.gz MZGKNOLQWFRYSU-UHFFFAOYSA-N 2 0 228.340 -0.057 20 0 BBADRP CC[NH+]1CCN(CC(=O)NCC[NH+](C)C)CC1 ZINC000243856608 387940800 /nfs/dbraw/zinc/94/08/00/387940800.db2.gz RGSPBGGZTXQPAR-UHFFFAOYSA-N 2 0 242.367 -0.698 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245407151 384976480 /nfs/dbraw/zinc/97/64/80/384976480.db2.gz ZQMWCKOJXCZEGG-QWRGUYRKSA-N 2 0 223.320 -0.098 20 0 BBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CCO1 ZINC000245433051 171370972 /nfs/dbraw/zinc/37/09/72/171370972.db2.gz BPDFXWPVIRMILJ-GARJFASQSA-N 2 0 243.351 -0.193 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246292053 388027886 /nfs/dbraw/zinc/02/78/86/388027886.db2.gz NKGXPEFMMNCFTH-ATZCPNFKSA-N 2 0 229.299 -0.068 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246292064 388028001 /nfs/dbraw/zinc/02/80/01/388028001.db2.gz NKGXPEFMMNCFTH-IQJOONFLSA-N 2 0 229.299 -0.068 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246480774 173328178 /nfs/dbraw/zinc/32/81/78/173328178.db2.gz LJJPWSSKBJUAPJ-ZJUUUORDSA-N 2 0 211.309 -0.099 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000246575633 487852835 /nfs/dbraw/zinc/85/28/35/487852835.db2.gz CFKXEFWWCQFJNB-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000246665884 349103240 /nfs/dbraw/zinc/10/32/40/349103240.db2.gz DVQPFBQWYKPVRK-BBBLOLIVSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000246901936 635655074 /nfs/dbraw/zinc/65/50/74/635655074.db2.gz JTZOJGKSRKCADL-FXPVBKGRSA-N 2 0 229.299 -0.103 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000246901953 643288625 /nfs/dbraw/zinc/28/86/25/643288625.db2.gz JTZOJGKSRKCADL-WCABBAIRSA-N 2 0 229.299 -0.103 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000246938977 177224557 /nfs/dbraw/zinc/22/45/57/177224557.db2.gz LIMRSTOPJNPWPV-KXUCPTDWSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000246938996 176257889 /nfs/dbraw/zinc/25/78/89/176257889.db2.gz LIMRSTOPJNPWPV-OPRDCNLKSA-N 2 0 211.309 -0.053 20 0 BBADRP O[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](O)C2)C1 ZINC000248147486 537810315 /nfs/dbraw/zinc/81/03/15/537810315.db2.gz ZXSNJCWDOWUDJX-NUYITTKVSA-N 2 0 226.320 -0.324 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H]1CO ZINC000248399914 536371214 /nfs/dbraw/zinc/37/12/14/536371214.db2.gz WPEVFRWODQXXJN-GRYCIOLGSA-N 2 0 228.336 -0.102 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@@H]1CO ZINC000248399915 536371056 /nfs/dbraw/zinc/37/10/56/536371056.db2.gz WPEVFRWODQXXJN-UTUOFQBUSA-N 2 0 228.336 -0.102 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@@H]12 ZINC000248580689 135014401 /nfs/dbraw/zinc/01/44/01/135014401.db2.gz FHYDGLSUFVSYJO-GWOFURMSSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@H]12 ZINC000248580690 135014532 /nfs/dbraw/zinc/01/45/32/135014532.db2.gz FHYDGLSUFVSYJO-LMLFDSFASA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@H]12 ZINC000248580691 135015027 /nfs/dbraw/zinc/01/50/27/135015027.db2.gz FHYDGLSUFVSYJO-MMWGEVLESA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@H]12 ZINC000248580692 135014891 /nfs/dbraw/zinc/01/48/91/135014891.db2.gz FHYDGLSUFVSYJO-YTWAJWBKSA-N 2 0 223.320 -0.066 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248610749 388686899 /nfs/dbraw/zinc/68/68/99/388686899.db2.gz KVCMZMDKMXUQOY-GUBZILKMSA-N 2 0 211.309 -0.256 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248610751 388686611 /nfs/dbraw/zinc/68/66/11/388686611.db2.gz KVCMZMDKMXUQOY-LPEHRKFASA-N 2 0 211.309 -0.256 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248647300 135018322 /nfs/dbraw/zinc/01/83/22/135018322.db2.gz SXJWKKOBJHXHJM-AATLWQCWSA-N 2 0 211.309 -0.081 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248647302 135018410 /nfs/dbraw/zinc/01/84/10/135018410.db2.gz SXJWKKOBJHXHJM-XKNYDFJKSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000248892920 388698902 /nfs/dbraw/zinc/69/89/02/388698902.db2.gz WVUCSZQPHZUFRQ-LPEHRKFASA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000248897253 135026074 /nfs/dbraw/zinc/02/60/74/135026074.db2.gz XXFRUTZERFZERQ-ATZCPNFKSA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000248897255 135025900 /nfs/dbraw/zinc/02/59/00/135025900.db2.gz XXFRUTZERFZERQ-IQJOONFLSA-N 2 0 229.299 -0.055 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000249022832 364644689 /nfs/dbraw/zinc/64/46/89/364644689.db2.gz KZNYSIQKARGFRO-CIUDSAMLSA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000249022834 349152664 /nfs/dbraw/zinc/15/26/64/349152664.db2.gz KZNYSIQKARGFRO-YIZRAAEISA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)C2)C1 ZINC000249749158 349173247 /nfs/dbraw/zinc/17/32/47/349173247.db2.gz PSWUIKIPRRAYEI-UWVGGRQHSA-N 2 0 226.324 -0.306 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000249836949 176185514 /nfs/dbraw/zinc/18/55/14/176185514.db2.gz FNUCDJWATHNCIF-BBBLOLIVSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000249836950 176186293 /nfs/dbraw/zinc/18/62/93/176186293.db2.gz FNUCDJWATHNCIF-OPRDCNLKSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000249883918 135047381 /nfs/dbraw/zinc/04/73/81/135047381.db2.gz HYLQVQXXDYYOGW-FXPVBKGRSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000249883920 135047120 /nfs/dbraw/zinc/04/71/20/135047120.db2.gz HYLQVQXXDYYOGW-WCABBAIRSA-N 2 0 229.299 -0.198 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000250237425 359287348 /nfs/dbraw/zinc/28/73/48/359287348.db2.gz GXIKQGHXZNNABY-GMTAPVOTSA-N 2 0 241.335 -0.690 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000250237432 359287377 /nfs/dbraw/zinc/28/73/77/359287377.db2.gz GXIKQGHXZNNABY-OUAUKWLOSA-N 2 0 241.335 -0.690 20 0 BBADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCOC1 ZINC000250419908 135055202 /nfs/dbraw/zinc/05/52/02/135055202.db2.gz PCTSCDNDWYPYQD-ZJUUUORDSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250455985 387124683 /nfs/dbraw/zinc/12/46/83/387124683.db2.gz IERQCEVDNPXMEP-UWVGGRQHSA-N 2 0 227.308 -0.733 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250455987 387124042 /nfs/dbraw/zinc/12/40/42/387124042.db2.gz IERQCEVDNPXMEP-VHSXEESVSA-N 2 0 227.308 -0.733 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250469729 135054880 /nfs/dbraw/zinc/05/48/80/135054880.db2.gz PMQJEXUFWSWFCU-QWRGUYRKSA-N 2 0 241.335 -0.343 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250469731 536655242 /nfs/dbraw/zinc/65/52/42/536655242.db2.gz PMQJEXUFWSWFCU-WDEREUQCSA-N 2 0 241.335 -0.343 20 0 BBADRP COC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000250479895 363526246 /nfs/dbraw/zinc/52/62/46/363526246.db2.gz VWALFNPDEPHDOU-LPEHRKFASA-N 2 0 200.282 -0.855 20 0 BBADRP CN1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000250556093 369545966 /nfs/dbraw/zinc/54/59/66/369545966.db2.gz BCPQMKKRWKFTGW-GUBZILKMSA-N 2 0 209.293 -0.632 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250596428 487736457 /nfs/dbraw/zinc/73/64/57/487736457.db2.gz IUWDUMOEZGEQRC-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250596430 487736976 /nfs/dbraw/zinc/73/69/76/487736976.db2.gz IUWDUMOEZGEQRC-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250600088 173116425 /nfs/dbraw/zinc/11/64/25/173116425.db2.gz JTRMXBZHIDOGPS-UWVGGRQHSA-N 2 0 211.309 -0.336 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250600090 173144949 /nfs/dbraw/zinc/14/49/49/173144949.db2.gz JTRMXBZHIDOGPS-ZJUUUORDSA-N 2 0 211.309 -0.336 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250614552 487735547 /nfs/dbraw/zinc/73/55/47/487735547.db2.gz NNVZCIBRBWQRQI-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000250614554 487735753 /nfs/dbraw/zinc/73/57/53/487735753.db2.gz NNVZCIBRBWQRQI-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250642545 487737490 /nfs/dbraw/zinc/73/74/90/487737490.db2.gz UFZUQAGUJVCUIB-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000250642547 487737400 /nfs/dbraw/zinc/73/74/00/487737400.db2.gz UFZUQAGUJVCUIB-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250797984 487740805 /nfs/dbraw/zinc/74/08/05/487740805.db2.gz AXBYICREJBXZBU-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250797988 487741465 /nfs/dbraw/zinc/74/14/65/487741465.db2.gz AXBYICREJBXZBU-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250835243 181395373 /nfs/dbraw/zinc/39/53/73/181395373.db2.gz KQLYKGMFCXCSFN-AEJSXWLSSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250835245 181395704 /nfs/dbraw/zinc/39/57/04/181395704.db2.gz KQLYKGMFCXCSFN-BBBLOLIVSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251068191 384912319 /nfs/dbraw/zinc/91/23/19/384912319.db2.gz DWIOXRBYDCNLBK-UWVGGRQHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251068194 384912531 /nfs/dbraw/zinc/91/25/31/384912531.db2.gz DWIOXRBYDCNLBK-ZJUUUORDSA-N 2 0 211.309 -0.112 20 0 BBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000251082369 182334516 /nfs/dbraw/zinc/33/45/16/182334516.db2.gz HEUAHGLLRXVARH-GXSJLCMTSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH2+]CCO1 ZINC000251082371 182301279 /nfs/dbraw/zinc/30/12/79/182301279.db2.gz HEUAHGLLRXVARH-MWLCHTKSSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251411777 385954039 /nfs/dbraw/zinc/95/40/39/385954039.db2.gz RCZFMOCBPZKDKE-AXFHLTTASA-N 2 0 239.319 -0.984 20 0 BBADRP CC[C@H]1C[N@H+](CCC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251619861 369870843 /nfs/dbraw/zinc/87/08/43/369870843.db2.gz DYYDBJXNTOVFCG-DTWKUNHWSA-N 2 0 242.323 -0.369 20 0 BBADRP CC[C@@H]1C[N@H+](CCC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000251619868 369871153 /nfs/dbraw/zinc/87/11/53/369871153.db2.gz DYYDBJXNTOVFCG-RKDXNWHRSA-N 2 0 242.323 -0.369 20 0 BBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000251639662 176322426 /nfs/dbraw/zinc/32/24/26/176322426.db2.gz FWEYOSFZUQQKQR-KOLCDFICSA-N 2 0 223.320 -0.099 20 0 BBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000251639666 177280738 /nfs/dbraw/zinc/28/07/38/177280738.db2.gz FWEYOSFZUQQKQR-ONGXEEELSA-N 2 0 223.320 -0.099 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000251703496 387210633 /nfs/dbraw/zinc/21/06/33/387210633.db2.gz BILWTFGCHWHIPQ-GMTAPVOTSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000251703498 176373382 /nfs/dbraw/zinc/37/33/82/176373382.db2.gz BILWTFGCHWHIPQ-OUAUKWLOSA-N 2 0 241.335 -0.426 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251746669 644820345 /nfs/dbraw/zinc/82/03/45/644820345.db2.gz LDEFETMCSSSGRL-AEJSXWLSSA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251746674 644820835 /nfs/dbraw/zinc/82/08/35/644820835.db2.gz LDEFETMCSSSGRL-BBBLOLIVSA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251746680 644820635 /nfs/dbraw/zinc/82/06/35/644820635.db2.gz LDEFETMCSSSGRL-OPRDCNLKSA-N 2 0 202.298 -0.337 20 0 BBADRP C[C@H]1C[N@H+](CCN2CCOCC2)CC[C@H]1[NH3+] ZINC000251765679 632551982 /nfs/dbraw/zinc/55/19/82/632551982.db2.gz MBQCRUNIRZTDHY-NWDGAFQWSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@@H]1C[N@H+](CCN2CCOCC2)CC[C@H]1[NH3+] ZINC000251765682 632552211 /nfs/dbraw/zinc/55/22/11/632552211.db2.gz MBQCRUNIRZTDHY-VXGBXAGGSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC(=O)N1 ZINC000251777092 349191261 /nfs/dbraw/zinc/19/12/61/349191261.db2.gz VVBHPHREDAHBSX-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC(=O)N1 ZINC000251777093 349191043 /nfs/dbraw/zinc/19/10/43/349191043.db2.gz VVBHPHREDAHBSX-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251836157 644825729 /nfs/dbraw/zinc/82/57/29/644825729.db2.gz PZOWRMYNJTUQMC-UWVGGRQHSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251836159 644825448 /nfs/dbraw/zinc/82/54/48/644825448.db2.gz PZOWRMYNJTUQMC-ZJUUUORDSA-N 2 0 213.325 -0.009 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251880571 353294034 /nfs/dbraw/zinc/29/40/34/353294034.db2.gz UTMQASPZYNTVBK-RKDXNWHRSA-N 2 0 242.323 -0.499 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251933264 353293680 /nfs/dbraw/zinc/29/36/80/353293680.db2.gz YXWLPHJLTADYSZ-MXWKQRLJSA-N 2 0 241.335 -0.345 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251933268 353293344 /nfs/dbraw/zinc/29/33/44/353293344.db2.gz YXWLPHJLTADYSZ-VWYCJHECSA-N 2 0 241.335 -0.345 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H]1CCN(C)C1=O ZINC000252195549 349197955 /nfs/dbraw/zinc/19/79/55/349197955.db2.gz VMCWDWICCAIUSY-BBBLOLIVSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CCN(C)C1=O ZINC000252195551 349197643 /nfs/dbraw/zinc/19/76/43/349197643.db2.gz VMCWDWICCAIUSY-UTLUCORTSA-N 2 0 211.309 -0.114 20 0 BBADRP CC(C)OC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453656 345965582 /nfs/dbraw/zinc/96/55/82/345965582.db2.gz QQZKTANKOBOSMZ-SDDRHHMPSA-N 2 0 228.336 -0.077 20 0 BBADRP OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252514895 135092090 /nfs/dbraw/zinc/09/20/90/135092090.db2.gz YOOIRNKENXRBQY-GARJFASQSA-N 2 0 214.309 -0.444 20 0 BBADRP OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252514896 135092716 /nfs/dbraw/zinc/09/27/16/135092716.db2.gz YOOIRNKENXRBQY-OUAUKWLOSA-N 2 0 214.309 -0.444 20 0 BBADRP CC[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252537825 635708598 /nfs/dbraw/zinc/70/85/98/635708598.db2.gz ABAQWSAOAJUMFU-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252537826 644865208 /nfs/dbraw/zinc/86/52/08/644865208.db2.gz ABAQWSAOAJUMFU-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539337 135092554 /nfs/dbraw/zinc/09/25/54/135092554.db2.gz BKHVPKCSERCAJV-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539338 135092646 /nfs/dbraw/zinc/09/26/46/135092646.db2.gz BKHVPKCSERCAJV-DCAQKATOSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539339 644865111 /nfs/dbraw/zinc/86/51/11/644865111.db2.gz BKHVPKCSERCAJV-GARJFASQSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539340 644865495 /nfs/dbraw/zinc/86/54/95/644865495.db2.gz BKHVPKCSERCAJV-HBNTYKKESA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252542632 135092228 /nfs/dbraw/zinc/09/22/28/135092228.db2.gz GDCNJAHXMCRHCZ-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252542633 135092328 /nfs/dbraw/zinc/09/23/28/135092328.db2.gz GDCNJAHXMCRHCZ-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544109 644865125 /nfs/dbraw/zinc/86/51/25/644865125.db2.gz HVLHFQPAGFFKLX-DCAQKATOSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544110 644865195 /nfs/dbraw/zinc/86/51/95/644865195.db2.gz HVLHFQPAGFFKLX-GARJFASQSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252546360 644865426 /nfs/dbraw/zinc/86/54/26/644865426.db2.gz KLRFKRLZMAQFSW-GUBZILKMSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252546361 644864961 /nfs/dbraw/zinc/86/49/61/644864961.db2.gz KLRFKRLZMAQFSW-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252546362 644864674 /nfs/dbraw/zinc/86/46/74/644864674.db2.gz KLRFKRLZMAQFSW-LPEHRKFASA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252546363 644865004 /nfs/dbraw/zinc/86/50/04/644865004.db2.gz KLRFKRLZMAQFSW-UTLUCORTSA-N 2 0 227.308 -0.687 20 0 BBADRP C[NH2+]CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252554609 135092277 /nfs/dbraw/zinc/09/22/77/135092277.db2.gz RSKIWVPRURBOBG-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252554610 135091948 /nfs/dbraw/zinc/09/19/48/135091948.db2.gz RSKIWVPRURBOBG-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP CC(C)([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252557332 135092263 /nfs/dbraw/zinc/09/22/63/135092263.db2.gz UBOBYWOSPLUXCW-UWVGGRQHSA-N 2 0 241.335 -0.297 20 0 BBADRP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252557334 135092306 /nfs/dbraw/zinc/09/23/06/135092306.db2.gz UBOBYWOSPLUXCW-VHSXEESVSA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252562734 644864475 /nfs/dbraw/zinc/86/44/75/644864475.db2.gz WYAGOKWPXYUHRU-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252562735 644865152 /nfs/dbraw/zinc/86/51/52/644865152.db2.gz WYAGOKWPXYUHRU-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP CCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252666977 635711813 /nfs/dbraw/zinc/71/18/13/635711813.db2.gz DRMLCNNUIAQYMZ-UWVGGRQHSA-N 2 0 226.324 -0.017 20 0 BBADRP CCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252666978 644874022 /nfs/dbraw/zinc/87/40/22/644874022.db2.gz DRMLCNNUIAQYMZ-VHSXEESVSA-N 2 0 226.324 -0.017 20 0 BBADRP CNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667646 135095898 /nfs/dbraw/zinc/09/58/98/135095898.db2.gz NDULMFGQAYCHDX-DTWKUNHWSA-N 2 0 212.297 -0.407 20 0 BBADRP CNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667647 135095998 /nfs/dbraw/zinc/09/59/98/135095998.db2.gz NDULMFGQAYCHDX-IUCAKERBSA-N 2 0 212.297 -0.407 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252688589 644880982 /nfs/dbraw/zinc/88/09/82/644880982.db2.gz OTNZXJZQLCYFCB-KXUCPTDWSA-N 2 0 202.298 -0.195 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000252688590 644880864 /nfs/dbraw/zinc/88/08/64/644880864.db2.gz OTNZXJZQLCYFCB-LPEHRKFASA-N 2 0 202.298 -0.195 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252688591 644880391 /nfs/dbraw/zinc/88/03/91/644880391.db2.gz OTNZXJZQLCYFCB-OPRDCNLKSA-N 2 0 202.298 -0.195 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](O)C[NH+](C)C ZINC000252712586 385211987 /nfs/dbraw/zinc/21/19/87/385211987.db2.gz MUKMVTBIJDXHGF-GRYCIOLGSA-N 2 0 229.368 -0.161 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000252712587 385211682 /nfs/dbraw/zinc/21/16/82/385211682.db2.gz MUKMVTBIJDXHGF-IJLUTSLNSA-N 3 0 229.368 -0.161 20 0 BBADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252712898 135100391 /nfs/dbraw/zinc/10/03/91/135100391.db2.gz NRPFFVMDFYLCFP-GMTAPVOTSA-N 2 0 216.325 -0.077 20 0 BBADRP COC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252712899 135100819 /nfs/dbraw/zinc/10/08/19/135100819.db2.gz NRPFFVMDFYLCFP-MXWKQRLJSA-N 2 0 216.325 -0.077 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252769074 644903526 /nfs/dbraw/zinc/90/35/26/644903526.db2.gz HHSQDACWPIXKIZ-IVZWLZJFSA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252769077 644903818 /nfs/dbraw/zinc/90/38/18/644903818.db2.gz HHSQDACWPIXKIZ-LPEHRKFASA-N 2 0 202.298 -0.337 20 0 BBADRP CC(=O)N[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000252797216 487834427 /nfs/dbraw/zinc/83/44/27/487834427.db2.gz JCZWFOODVOQJQL-QWRGUYRKSA-N 2 0 211.309 -0.194 20 0 BBADRP CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000252797217 487834574 /nfs/dbraw/zinc/83/45/74/487834574.db2.gz JCZWFOODVOQJQL-WDEREUQCSA-N 2 0 211.309 -0.194 20 0 BBADRP COC(=O)[C@](C)(O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252869833 370138588 /nfs/dbraw/zinc/13/85/88/370138588.db2.gz SXBXJPQKCDKRKD-ATZCPNFKSA-N 2 0 228.292 -0.938 20 0 BBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252878378 349220831 /nfs/dbraw/zinc/22/08/31/349220831.db2.gz XDCDLURVSQBQFA-KATARQTJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252878379 349220780 /nfs/dbraw/zinc/22/07/80/349220780.db2.gz XDCDLURVSQBQFA-XFWSIPNHSA-N 2 0 211.309 -0.081 20 0 BBADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252880593 388789256 /nfs/dbraw/zinc/78/92/56/388789256.db2.gz YKLJCGUFSBHRLY-GUBZILKMSA-N 2 0 211.309 -0.208 20 0 BBADRP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252880594 388789970 /nfs/dbraw/zinc/78/99/70/388789970.db2.gz YKLJCGUFSBHRLY-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP COC[C@H](O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000253176406 644940977 /nfs/dbraw/zinc/94/09/77/644940977.db2.gz PPNFAPPABSRTFF-NXEZZACHSA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@@H](O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000253176407 644941575 /nfs/dbraw/zinc/94/15/75/644941575.db2.gz PPNFAPPABSRTFF-VHSXEESVSA-N 2 0 202.298 -0.337 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253200213 644943699 /nfs/dbraw/zinc/94/36/99/644943699.db2.gz XCAJHMOZGXTPEU-GARJFASQSA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200215 644942950 /nfs/dbraw/zinc/94/29/50/644942950.db2.gz XCAJHMOZGXTPEU-GMTAPVOTSA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200541 642947554 /nfs/dbraw/zinc/94/75/54/642947554.db2.gz XCAJHMOZGXTPEU-HBNTYKKESA-N 2 0 216.325 -0.090 20 0 BBADRP O[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](O)C2)C1 ZINC000255077190 538008480 /nfs/dbraw/zinc/00/84/80/538008480.db2.gz ZXSNJCWDOWUDJX-JZIZGNRHSA-N 2 0 226.320 -0.324 20 0 BBADRP O[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](O)C2)C1 ZINC000255077191 538009398 /nfs/dbraw/zinc/00/93/98/538009398.db2.gz ZXSNJCWDOWUDJX-ZLLARURESA-N 2 0 226.320 -0.324 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000257361959 384923387 /nfs/dbraw/zinc/92/33/87/384923387.db2.gz FERZFXCNIJJFTG-FKTZTGRPSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000257361962 384925532 /nfs/dbraw/zinc/92/55/32/384925532.db2.gz FERZFXCNIJJFTG-UJNFCWOMSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000257362032 384924092 /nfs/dbraw/zinc/92/40/92/384924092.db2.gz XEHWAGGQLDKVHY-KXUCPTDWSA-N 2 0 209.293 -0.360 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000257362033 384923758 /nfs/dbraw/zinc/92/37/58/384923758.db2.gz XEHWAGGQLDKVHY-LPEHRKFASA-N 2 0 209.293 -0.360 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000257362138 384925415 /nfs/dbraw/zinc/92/54/15/384925415.db2.gz JFZCYNYMXSJFIS-DVVUODLYSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000257362140 384925757 /nfs/dbraw/zinc/92/57/57/384925757.db2.gz JFZCYNYMXSJFIS-INTQDDNPSA-N 2 0 223.320 -0.066 20 0 BBADRP Cn1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000257682502 135139421 /nfs/dbraw/zinc/13/94/21/135139421.db2.gz HHLSJVXBBQOQQY-CYBMUJFWSA-N 2 0 249.362 -0.100 20 0 BBADRP Cn1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000257682503 135138905 /nfs/dbraw/zinc/13/89/05/135138905.db2.gz HHLSJVXBBQOQQY-ZDUSSCGKSA-N 2 0 249.362 -0.100 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000257684280 385492786 /nfs/dbraw/zinc/49/27/86/385492786.db2.gz JZODQKDGMKLKOK-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000257684281 385492807 /nfs/dbraw/zinc/49/28/07/385492807.db2.gz JZODQKDGMKLKOK-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000257684282 488080460 /nfs/dbraw/zinc/08/04/60/488080460.db2.gz JZODQKDGMKLKOK-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000257684283 385492269 /nfs/dbraw/zinc/49/22/69/385492269.db2.gz JZODQKDGMKLKOK-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000257711295 385490471 /nfs/dbraw/zinc/49/04/71/385490471.db2.gz QVXHPBJXWFHJJH-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000257711296 385490584 /nfs/dbraw/zinc/49/05/84/385490584.db2.gz QVXHPBJXWFHJJH-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000257711297 385490442 /nfs/dbraw/zinc/49/04/42/385490442.db2.gz QVXHPBJXWFHJJH-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000257711298 385490599 /nfs/dbraw/zinc/49/05/99/385490599.db2.gz QVXHPBJXWFHJJH-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000257714128 385490390 /nfs/dbraw/zinc/49/03/90/385490390.db2.gz ROMKZEIUQHHPGR-NXEZZACHSA-N 2 0 211.309 -0.112 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000257727129 349482975 /nfs/dbraw/zinc/48/29/75/349482975.db2.gz UOZBOYIDBXZSEY-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000257727133 349482657 /nfs/dbraw/zinc/48/26/57/349482657.db2.gz UOZBOYIDBXZSEY-VHSXEESVSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000257736198 384924060 /nfs/dbraw/zinc/92/40/60/384924060.db2.gz VYJLCQIBKICSFJ-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000257736199 517943712 /nfs/dbraw/zinc/94/37/12/517943712.db2.gz VYJLCQIBKICSFJ-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+]CCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000257746057 349482692 /nfs/dbraw/zinc/48/26/92/349482692.db2.gz FJGJAKUKFAAEMZ-GFCCVEGCSA-N 2 0 227.352 -0.011 20 0 BBADRP [NH3+]CCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000257746059 349483000 /nfs/dbraw/zinc/48/30/00/349483000.db2.gz FJGJAKUKFAAEMZ-LBPRGKRZSA-N 2 0 227.352 -0.011 20 0 BBADRP C[C@@H]([NH3+])CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000257751142 384925287 /nfs/dbraw/zinc/92/52/87/384925287.db2.gz IRPXTKSNVWTDDA-NEPJUHHUSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H]([NH3+])CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000257751143 322873563 /nfs/dbraw/zinc/87/35/63/322873563.db2.gz IRPXTKSNVWTDDA-NWDGAFQWSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H]([NH3+])CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000257751144 384924885 /nfs/dbraw/zinc/92/48/85/384924885.db2.gz IRPXTKSNVWTDDA-RYUDHWBXSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@@H]([NH3+])CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000257751145 384926034 /nfs/dbraw/zinc/92/60/34/384926034.db2.gz IRPXTKSNVWTDDA-VXGBXAGGSA-N 2 0 227.352 -0.012 20 0 BBADRP [NH3+]CCN1CCC(C[NH+]2CCOCC2)CC1 ZINC000257762230 135100209 /nfs/dbraw/zinc/10/02/09/135100209.db2.gz XTCSRULWIXWEEJ-UHFFFAOYSA-N 2 0 227.352 -0.011 20 0 BBADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257766817 488087807 /nfs/dbraw/zinc/08/78/07/488087807.db2.gz ZZUOSZGAQMTJKZ-CHWSQXEVSA-N 2 0 238.379 -0.425 20 0 BBADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257766818 488088183 /nfs/dbraw/zinc/08/81/83/488088183.db2.gz ZZUOSZGAQMTJKZ-OLZOCXBDSA-N 2 0 238.379 -0.425 20 0 BBADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257766820 488087113 /nfs/dbraw/zinc/08/71/13/488087113.db2.gz ZZUOSZGAQMTJKZ-QWHCGFSZSA-N 2 0 238.379 -0.425 20 0 BBADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257766821 488087215 /nfs/dbraw/zinc/08/72/15/488087215.db2.gz ZZUOSZGAQMTJKZ-STQMWFEESA-N 2 0 238.379 -0.425 20 0 BBADRP C[N@@H+]1CCCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000257777415 135141408 /nfs/dbraw/zinc/14/14/08/135141408.db2.gz DWYZQKWSEQBKDZ-UHFFFAOYSA-N 2 0 227.308 -0.861 20 0 BBADRP C[NH+](C)CCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000257968291 535887100 /nfs/dbraw/zinc/88/71/00/535887100.db2.gz BRNXNHSAZMDDPY-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH+](C)CCNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000257968293 535885070 /nfs/dbraw/zinc/88/50/70/535885070.db2.gz BRNXNHSAZMDDPY-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000258118989 384931273 /nfs/dbraw/zinc/93/12/73/384931273.db2.gz LGPSILSLYVDOSZ-SECBINFHSA-N 2 0 214.313 -0.401 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000258118991 384930483 /nfs/dbraw/zinc/93/04/83/384930483.db2.gz LGPSILSLYVDOSZ-VIFPVBQESA-N 2 0 214.313 -0.401 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000258121074 385539278 /nfs/dbraw/zinc/53/92/78/385539278.db2.gz LILPHMCUVGQTGU-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000258121075 385539155 /nfs/dbraw/zinc/53/91/55/385539155.db2.gz LILPHMCUVGQTGU-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000258158380 385542519 /nfs/dbraw/zinc/54/25/19/385542519.db2.gz NJEQVCYFNAEEMY-MRVPVSSYSA-N 2 0 200.286 -0.791 20 0 BBADRP C[NH+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000258158382 349492770 /nfs/dbraw/zinc/49/27/70/349492770.db2.gz NJEQVCYFNAEEMY-QMMMGPOBSA-N 2 0 200.286 -0.791 20 0 BBADRP C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000258304994 349505138 /nfs/dbraw/zinc/50/51/38/349505138.db2.gz CPOKVAQMKMGMPO-JTQLQIEISA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000258304998 384559159 /nfs/dbraw/zinc/55/91/59/384559159.db2.gz CPOKVAQMKMGMPO-SNVBAGLBSA-N 2 0 226.324 -0.258 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000258311645 349505088 /nfs/dbraw/zinc/50/50/88/349505088.db2.gz CVPOQYBTHDPBPN-BDAKNGLRSA-N 2 0 212.297 -0.601 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000258311649 384561845 /nfs/dbraw/zinc/56/18/45/384561845.db2.gz CVPOQYBTHDPBPN-DTWKUNHWSA-N 2 0 212.297 -0.601 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000258311653 349505031 /nfs/dbraw/zinc/50/50/31/349505031.db2.gz CVPOQYBTHDPBPN-IUCAKERBSA-N 2 0 212.297 -0.601 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000258311656 384561018 /nfs/dbraw/zinc/56/10/18/384561018.db2.gz CVPOQYBTHDPBPN-RKDXNWHRSA-N 2 0 212.297 -0.601 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000258318626 384932448 /nfs/dbraw/zinc/93/24/48/384932448.db2.gz DFMCEXKELHTNCB-AOOOYVTPSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000258318628 322874539 /nfs/dbraw/zinc/87/45/39/322874539.db2.gz DFMCEXKELHTNCB-NXEZZACHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000258318630 384931353 /nfs/dbraw/zinc/93/13/53/384931353.db2.gz DFMCEXKELHTNCB-UWVGGRQHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC1CC[NH2+]CC1)N[C@H]1CCC[NH2+]C1 ZINC000258369930 711733343 /nfs/dbraw/zinc/73/33/43/711733343.db2.gz GTMAJTLDEWLSIZ-JTQLQIEISA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C1 ZINC000258369940 711733571 /nfs/dbraw/zinc/73/35/71/711733571.db2.gz GTMAJTLDEWLSIZ-SNVBAGLBSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000258419318 487562616 /nfs/dbraw/zinc/56/26/16/487562616.db2.gz JBPJHAZCRQZJOZ-BDAKNGLRSA-N 2 0 212.297 -0.601 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000258419319 384583416 /nfs/dbraw/zinc/58/34/16/384583416.db2.gz JBPJHAZCRQZJOZ-DTWKUNHWSA-N 2 0 212.297 -0.601 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000258419320 487562799 /nfs/dbraw/zinc/56/27/99/487562799.db2.gz JBPJHAZCRQZJOZ-IUCAKERBSA-N 2 0 212.297 -0.601 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000258419321 384587796 /nfs/dbraw/zinc/58/77/96/384587796.db2.gz JBPJHAZCRQZJOZ-RKDXNWHRSA-N 2 0 212.297 -0.601 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000258463751 384594088 /nfs/dbraw/zinc/59/40/88/384594088.db2.gz KQBURFBIXYDWQT-NXEZZACHSA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000258463763 349499696 /nfs/dbraw/zinc/49/96/96/349499696.db2.gz KQBURFBIXYDWQT-UWVGGRQHSA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000258463777 384595218 /nfs/dbraw/zinc/59/52/18/384595218.db2.gz KQBURFBIXYDWQT-VHSXEESVSA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000258463790 349499574 /nfs/dbraw/zinc/49/95/74/349499574.db2.gz KQBURFBIXYDWQT-ZJUUUORDSA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000258467904 384594922 /nfs/dbraw/zinc/59/49/22/384594922.db2.gz KUANKLGQEZCTJP-SECBINFHSA-N 2 0 212.297 -0.601 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000258467914 349499787 /nfs/dbraw/zinc/49/97/87/349499787.db2.gz KUANKLGQEZCTJP-VIFPVBQESA-N 2 0 212.297 -0.601 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC1C[NH2+]C1 ZINC000258495631 384601712 /nfs/dbraw/zinc/60/17/12/384601712.db2.gz LUNSWBFFCFAHPV-JTQLQIEISA-N 2 0 226.324 -0.401 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1C[NH2+]C1 ZINC000258495642 384600883 /nfs/dbraw/zinc/60/08/83/384600883.db2.gz LUNSWBFFCFAHPV-SNVBAGLBSA-N 2 0 226.324 -0.401 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000258508958 349508159 /nfs/dbraw/zinc/50/81/59/349508159.db2.gz MMFQPWMSNVJFFI-JTQLQIEISA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000258508960 384602640 /nfs/dbraw/zinc/60/26/40/384602640.db2.gz MMFQPWMSNVJFFI-SNVBAGLBSA-N 2 0 226.324 -0.353 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000258575641 536373517 /nfs/dbraw/zinc/37/35/17/536373517.db2.gz PNTGCMQNRCGGOX-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000258575652 135132778 /nfs/dbraw/zinc/13/27/78/135132778.db2.gz PNTGCMQNRCGGOX-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000258575674 536373337 /nfs/dbraw/zinc/37/33/37/536373337.db2.gz PNTGCMQNRCGGOX-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000258575687 135132870 /nfs/dbraw/zinc/13/28/70/135132870.db2.gz PNTGCMQNRCGGOX-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000258579579 384617351 /nfs/dbraw/zinc/61/73/51/384617351.db2.gz PVEXIVNRNUINTM-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000258579584 487562683 /nfs/dbraw/zinc/56/26/83/487562683.db2.gz PVEXIVNRNUINTM-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000258579588 488123054 /nfs/dbraw/zinc/12/30/54/488123054.db2.gz PVEXIVNRNUINTM-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000258579593 384615977 /nfs/dbraw/zinc/61/59/77/384615977.db2.gz PVEXIVNRNUINTM-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000258586367 384616519 /nfs/dbraw/zinc/61/65/19/384616519.db2.gz QBSTYRKMEWWSCT-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000258586393 384616590 /nfs/dbraw/zinc/61/65/90/384616590.db2.gz QBSTYRKMEWWSCT-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000258596159 384617325 /nfs/dbraw/zinc/61/73/25/384617325.db2.gz QOCFPCFAUOLEJW-NXEZZACHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000258596161 384616129 /nfs/dbraw/zinc/61/61/29/384616129.db2.gz QOCFPCFAUOLEJW-UWVGGRQHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000258596164 384614154 /nfs/dbraw/zinc/61/41/54/384614154.db2.gz QOCFPCFAUOLEJW-VHSXEESVSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000258596168 384615305 /nfs/dbraw/zinc/61/53/05/384615305.db2.gz QOCFPCFAUOLEJW-ZJUUUORDSA-N 2 0 226.324 -0.210 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000258677121 488127231 /nfs/dbraw/zinc/12/72/31/488127231.db2.gz KISTYEFGJWIPCI-JTQLQIEISA-N 2 0 226.324 -0.305 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000258677125 488127211 /nfs/dbraw/zinc/12/72/11/488127211.db2.gz KISTYEFGJWIPCI-SNVBAGLBSA-N 2 0 226.324 -0.305 20 0 BBADRP [NH3+]CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000258713777 384643456 /nfs/dbraw/zinc/64/34/56/384643456.db2.gz VCSWHHVYKRQSLN-SECBINFHSA-N 2 0 214.313 -0.224 20 0 BBADRP [NH3+]CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000258713785 384644804 /nfs/dbraw/zinc/64/48/04/384644804.db2.gz VCSWHHVYKRQSLN-VIFPVBQESA-N 2 0 214.313 -0.224 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH3+] ZINC000258742934 384654072 /nfs/dbraw/zinc/65/40/72/384654072.db2.gz WEVNXHVWADMHEU-MRVPVSSYSA-N 2 0 200.286 -0.662 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH3+] ZINC000258742944 384654284 /nfs/dbraw/zinc/65/42/84/384654284.db2.gz WEVNXHVWADMHEU-QMMMGPOBSA-N 2 0 200.286 -0.662 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000258751047 384940656 /nfs/dbraw/zinc/94/06/56/384940656.db2.gz WKHNCRBKDOYDMO-NXEZZACHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000258751054 322877214 /nfs/dbraw/zinc/87/72/14/322877214.db2.gz WKHNCRBKDOYDMO-UWVGGRQHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000258751063 384939363 /nfs/dbraw/zinc/93/93/63/384939363.db2.gz WKHNCRBKDOYDMO-VHSXEESVSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000258751070 384940505 /nfs/dbraw/zinc/94/05/05/384940505.db2.gz WKHNCRBKDOYDMO-ZJUUUORDSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000258755794 635195448 /nfs/dbraw/zinc/19/54/48/635195448.db2.gz WOFYRFCDRMVAGI-AOOOYVTPSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000258755814 635196146 /nfs/dbraw/zinc/19/61/46/635196146.db2.gz WOFYRFCDRMVAGI-NXEZZACHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000258755828 635195763 /nfs/dbraw/zinc/19/57/63/635195763.db2.gz WOFYRFCDRMVAGI-UWVGGRQHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC1C[NH2+]C1 ZINC000258785877 384666398 /nfs/dbraw/zinc/66/63/98/384666398.db2.gz XJHUTIWJHFCAAI-QMMMGPOBSA-N 2 0 212.297 -0.601 20 0 BBADRP C[N@H+](C[C@@H](O)CO)C[C@@H]1CCC[NH+](C)C1 ZINC000258988014 635231695 /nfs/dbraw/zinc/23/16/95/635231695.db2.gz MIBNFDNADDXVQT-GHMZBOCLSA-N 2 0 216.325 -0.387 20 0 BBADRP C[N@H+](C[C@H](O)CO)C[C@@H]1CCC[NH+](C)C1 ZINC000258988016 635230655 /nfs/dbraw/zinc/23/06/55/635230655.db2.gz MIBNFDNADDXVQT-MNOVXSKESA-N 2 0 216.325 -0.387 20 0 BBADRP C[N@H+](C[C@H](O)CO)C[C@H]1CCC[NH+](C)C1 ZINC000258988019 635232266 /nfs/dbraw/zinc/23/22/66/635232266.db2.gz MIBNFDNADDXVQT-QWRGUYRKSA-N 2 0 216.325 -0.387 20 0 BBADRP C[N@H+](C[C@@H](O)CO)C[C@H]1CCC[NH+](C)C1 ZINC000258988020 635230803 /nfs/dbraw/zinc/23/08/03/635230803.db2.gz MIBNFDNADDXVQT-WDEREUQCSA-N 2 0 216.325 -0.387 20 0 BBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000259126464 635245603 /nfs/dbraw/zinc/24/56/03/635245603.db2.gz ZVTTWWOORJAQSM-JTQLQIEISA-N 2 0 247.364 -0.733 20 0 BBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000259126519 635245461 /nfs/dbraw/zinc/24/54/61/635245461.db2.gz ZVTTWWOORJAQSM-SNVBAGLBSA-N 2 0 247.364 -0.733 20 0 BBADRP C[N@H+](CCc1cccnc1)C[C@H](O)C[NH3+] ZINC000259199750 384963000 /nfs/dbraw/zinc/96/30/00/384963000.db2.gz WVDDGKHHKFLWGL-LLVKDONJSA-N 2 0 209.293 -0.125 20 0 BBADRP C[N@H+](CCc1cccnc1)C[C@@H](O)C[NH3+] ZINC000259199751 384963286 /nfs/dbraw/zinc/96/32/86/384963286.db2.gz WVDDGKHHKFLWGL-NSHDSACASA-N 2 0 209.293 -0.125 20 0 BBADRP COCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000259223138 349566510 /nfs/dbraw/zinc/56/65/10/349566510.db2.gz KLCUVSNTCUKJKL-UHFFFAOYSA-N 2 0 201.314 -0.355 20 0 BBADRP C[N@H+](CCN1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000259264756 488155944 /nfs/dbraw/zinc/15/59/44/488155944.db2.gz NGENIQBNOUZFNN-GFCCVEGCSA-N 2 0 227.352 -0.140 20 0 BBADRP C[N@H+](CCN1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000259264762 488156512 /nfs/dbraw/zinc/15/65/12/488156512.db2.gz NGENIQBNOUZFNN-LBPRGKRZSA-N 2 0 227.352 -0.140 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCOC1 ZINC000261528833 135154370 /nfs/dbraw/zinc/15/43/70/135154370.db2.gz OJLNYYRSVKZMMB-JTQLQIEISA-N 2 0 202.298 -0.070 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCOC1 ZINC000261528834 135154616 /nfs/dbraw/zinc/15/46/16/135154616.db2.gz OJLNYYRSVKZMMB-SNVBAGLBSA-N 2 0 202.298 -0.070 20 0 BBADRP Cc1cc(NC(=O)CNC(=O)C[NH3+])ccn1 ZINC000261530577 135157936 /nfs/dbraw/zinc/15/79/36/135157936.db2.gz KETOGGRXAARXFA-UHFFFAOYSA-N 2 0 222.248 -0.597 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261531011 135159450 /nfs/dbraw/zinc/15/94/50/135159450.db2.gz DWTOAQNENRNVLB-NXEZZACHSA-N 2 0 211.309 -0.384 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261531012 135159164 /nfs/dbraw/zinc/15/91/64/135159164.db2.gz DWTOAQNENRNVLB-UWVGGRQHSA-N 2 0 211.309 -0.384 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261531013 135159467 /nfs/dbraw/zinc/15/94/67/135159467.db2.gz DWTOAQNENRNVLB-VHSXEESVSA-N 2 0 211.309 -0.384 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261531014 135159153 /nfs/dbraw/zinc/15/91/53/135159153.db2.gz DWTOAQNENRNVLB-ZJUUUORDSA-N 2 0 211.309 -0.384 20 0 BBADRP [NH3+]C[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261531408 135159671 /nfs/dbraw/zinc/15/96/71/135159671.db2.gz GJJGVMJCLDYINZ-JTQLQIEISA-N 2 0 209.297 -0.051 20 0 BBADRP [NH3+]C[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261531409 135159916 /nfs/dbraw/zinc/15/99/16/135159916.db2.gz GJJGVMJCLDYINZ-SNVBAGLBSA-N 2 0 209.297 -0.051 20 0 BBADRP C[N@H+](CCOCC[NH3+])CCn1cccn1 ZINC000261531683 135160644 /nfs/dbraw/zinc/16/06/44/135160644.db2.gz HMCJPZUECHXXME-UHFFFAOYSA-N 2 0 212.297 -0.210 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261531721 135160974 /nfs/dbraw/zinc/16/09/74/135160974.db2.gz HQYFIAQMZKJSLO-NXEZZACHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261531722 135160569 /nfs/dbraw/zinc/16/05/69/135160569.db2.gz HQYFIAQMZKJSLO-UWVGGRQHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261531723 135160579 /nfs/dbraw/zinc/16/05/79/135160579.db2.gz HQYFIAQMZKJSLO-VHSXEESVSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261531724 135160508 /nfs/dbraw/zinc/16/05/08/135160508.db2.gz HQYFIAQMZKJSLO-ZJUUUORDSA-N 2 0 211.309 -0.242 20 0 BBADRP CN(C(=O)C1C[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000261532365 135162256 /nfs/dbraw/zinc/16/22/56/135162256.db2.gz AIBNXWLCEBJEDO-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)C1C[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000261532466 135162486 /nfs/dbraw/zinc/16/24/86/135162486.db2.gz AIBNXWLCEBJEDO-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261532511 135162914 /nfs/dbraw/zinc/16/29/14/135162914.db2.gz AKSCEBTUVYOBAS-PSASIEDQSA-N 2 0 209.293 -0.726 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261532512 135162839 /nfs/dbraw/zinc/16/28/39/135162839.db2.gz AKSCEBTUVYOBAS-SCZZXKLOSA-N 2 0 209.293 -0.726 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261532513 135162223 /nfs/dbraw/zinc/16/22/23/135162223.db2.gz AKSCEBTUVYOBAS-WCBMZHEXSA-N 2 0 209.293 -0.726 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261532514 135162749 /nfs/dbraw/zinc/16/27/49/135162749.db2.gz AKSCEBTUVYOBAS-WPRPVWTQSA-N 2 0 209.293 -0.726 20 0 BBADRP [NH3+]CC1CC[NH+](CCn2cncn2)CC1 ZINC000261532589 135163147 /nfs/dbraw/zinc/16/31/47/135163147.db2.gz JXAOFOUXHBGTGD-UHFFFAOYSA-N 2 0 209.297 -0.051 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000261532868 135164420 /nfs/dbraw/zinc/16/44/20/135164420.db2.gz ANVLNOSZFZRCFF-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000261532869 135163841 /nfs/dbraw/zinc/16/38/41/135163841.db2.gz ANVLNOSZFZRCFF-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000261532870 135164005 /nfs/dbraw/zinc/16/40/05/135164005.db2.gz ANVLNOSZFZRCFF-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000261532871 135163966 /nfs/dbraw/zinc/16/39/66/135163966.db2.gz ANVLNOSZFZRCFF-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000261533045 536374527 /nfs/dbraw/zinc/37/45/27/536374527.db2.gz GHVDRROGMWKKKB-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000261533046 135163928 /nfs/dbraw/zinc/16/39/28/135163928.db2.gz GHVDRROGMWKKKB-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000261533134 135163952 /nfs/dbraw/zinc/16/39/52/135163952.db2.gz ASZRSSVMSUBLOY-PSASIEDQSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000261533135 135164097 /nfs/dbraw/zinc/16/40/97/135164097.db2.gz ASZRSSVMSUBLOY-SCZZXKLOSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000261533136 135164195 /nfs/dbraw/zinc/16/41/95/135164195.db2.gz ASZRSSVMSUBLOY-WCBMZHEXSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000261533137 135164050 /nfs/dbraw/zinc/16/40/50/135164050.db2.gz ASZRSSVMSUBLOY-WPRPVWTQSA-N 2 0 231.365 -0.113 20 0 BBADRP CN1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000261533257 135164017 /nfs/dbraw/zinc/16/40/17/135164017.db2.gz KNGADBARUQPOOY-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CN1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000261533259 135163925 /nfs/dbraw/zinc/16/39/25/135163925.db2.gz KNGADBARUQPOOY-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP CN1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000261533261 135164030 /nfs/dbraw/zinc/16/40/30/135164030.db2.gz KNGADBARUQPOOY-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000261533262 135164379 /nfs/dbraw/zinc/16/43/79/135164379.db2.gz KNGADBARUQPOOY-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C)CCN1C(=O)[C@H]1COCCN1 ZINC000261535400 135169574 /nfs/dbraw/zinc/16/95/74/135169574.db2.gz YEUYNBRNTMPXLD-NXEZZACHSA-N 2 0 227.308 -0.863 20 0 BBADRP C[C@H]1CN(C)CCN1C(=O)[C@H]1COCCN1 ZINC000261535401 135169850 /nfs/dbraw/zinc/16/98/50/135169850.db2.gz YEUYNBRNTMPXLD-VHSXEESVSA-N 2 0 227.308 -0.863 20 0 BBADRP [NH3+]CCN(CCO)CC1CC[NH2+]CC1 ZINC000261536328 135171062 /nfs/dbraw/zinc/17/10/62/135171062.db2.gz RGUPTSXCZUMBQF-UHFFFAOYSA-N 2 0 201.314 -0.761 20 0 BBADRP [NH3+]CCN(CCO)C[C@H]1CCC[NH2+]C1 ZINC000261536366 135109001 /nfs/dbraw/zinc/10/90/01/135109001.db2.gz RKQJBPOKCKUJMM-JTQLQIEISA-N 2 0 201.314 -0.761 20 0 BBADRP [NH3+]CCN(CCO)C[C@@H]1CCC[NH2+]C1 ZINC000261536367 135171061 /nfs/dbraw/zinc/17/10/61/135171061.db2.gz RKQJBPOKCKUJMM-SNVBAGLBSA-N 2 0 201.314 -0.761 20 0 BBADRP Cn1nncc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261539096 135177224 /nfs/dbraw/zinc/17/72/24/135177224.db2.gz BNLISAQKRPQLQS-DTORHVGOSA-N 2 0 207.281 -0.534 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH3+])C1 ZINC000261539292 536876610 /nfs/dbraw/zinc/87/66/10/536876610.db2.gz CBAMHVSNHXUMKT-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH3+])C1 ZINC000261539293 135178184 /nfs/dbraw/zinc/17/81/84/135178184.db2.gz CBAMHVSNHXUMKT-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH3+])C1 ZINC000261539294 536876649 /nfs/dbraw/zinc/87/66/49/536876649.db2.gz CBAMHVSNHXUMKT-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH3+])C1 ZINC000261539295 135177879 /nfs/dbraw/zinc/17/78/79/135177879.db2.gz CBAMHVSNHXUMKT-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261539621 135178501 /nfs/dbraw/zinc/17/85/01/135178501.db2.gz AOGWHJLUNRACQM-DCAQKATOSA-N 2 0 243.351 -0.444 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000261539624 135178735 /nfs/dbraw/zinc/17/87/35/135178735.db2.gz AOGWHJLUNRACQM-GARJFASQSA-N 2 0 243.351 -0.444 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000261539625 135178372 /nfs/dbraw/zinc/17/83/72/135178372.db2.gz AOGWHJLUNRACQM-HBNTYKKESA-N 2 0 243.351 -0.444 20 0 BBADRP C[C@@H]1CN(Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000261539655 135178789 /nfs/dbraw/zinc/17/87/89/135178789.db2.gz CXNAAEOTYRVPIW-PSASIEDQSA-N 2 0 209.297 -0.016 20 0 BBADRP C[C@@H]1CN(Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000261539657 135178351 /nfs/dbraw/zinc/17/83/51/135178351.db2.gz CXNAAEOTYRVPIW-SCZZXKLOSA-N 2 0 209.297 -0.016 20 0 BBADRP C[C@H]1CN(Cc2cnnn2C)CC[C@H]1[NH3+] ZINC000261539659 135178588 /nfs/dbraw/zinc/17/85/88/135178588.db2.gz CXNAAEOTYRVPIW-WCBMZHEXSA-N 2 0 209.297 -0.016 20 0 BBADRP C[C@H]1CN(Cc2cnnn2C)CC[C@@H]1[NH3+] ZINC000261539661 135178662 /nfs/dbraw/zinc/17/86/62/135178662.db2.gz CXNAAEOTYRVPIW-WPRPVWTQSA-N 2 0 209.297 -0.016 20 0 BBADRP C[C@@H]1CN(C)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000261539725 135178681 /nfs/dbraw/zinc/17/86/81/135178681.db2.gz BIDNBKHVLMCPJI-MNOVXSKESA-N 2 0 241.335 -0.473 20 0 BBADRP C[C@H]1CN(C)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000261539727 135178964 /nfs/dbraw/zinc/17/89/64/135178964.db2.gz BIDNBKHVLMCPJI-QWRGUYRKSA-N 2 0 241.335 -0.473 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000261540082 135178571 /nfs/dbraw/zinc/17/85/71/135178571.db2.gz DSENXAKEGBATNY-KYXWUPHJSA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000261540084 135178523 /nfs/dbraw/zinc/17/85/23/135178523.db2.gz DSENXAKEGBATNY-RGOKHQFPSA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000261540085 135178461 /nfs/dbraw/zinc/17/84/61/135178461.db2.gz DSENXAKEGBATNY-UTINFBMNSA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000261540087 135178829 /nfs/dbraw/zinc/17/88/29/135178829.db2.gz DSENXAKEGBATNY-ZYUZMQFOSA-N 2 0 211.309 -0.149 20 0 BBADRP C[N@H+](CCOCCO)C[C@]1(C)CC[NH2+]C1 ZINC000261540241 536396436 /nfs/dbraw/zinc/39/64/36/536396436.db2.gz DWBJPPYAJGLRIX-LLVKDONJSA-N 2 0 216.325 -0.073 20 0 BBADRP C[N@H+](CCOCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000261540242 536396556 /nfs/dbraw/zinc/39/65/56/536396556.db2.gz DWBJPPYAJGLRIX-NSHDSACASA-N 2 0 216.325 -0.073 20 0 BBADRP C[NH2+]CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000261540574 536441326 /nfs/dbraw/zinc/44/13/26/536441326.db2.gz FEHKIYRIKOYIIO-JTQLQIEISA-N 2 0 231.365 -0.241 20 0 BBADRP C[NH2+]CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000261540775 536440977 /nfs/dbraw/zinc/44/09/77/536440977.db2.gz FEHKIYRIKOYIIO-SNVBAGLBSA-N 2 0 231.365 -0.241 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000261540897 135179836 /nfs/dbraw/zinc/17/98/36/135179836.db2.gz ANPKFSKNAAYPAY-GFCCVEGCSA-N 2 0 243.351 -0.320 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261540898 135180175 /nfs/dbraw/zinc/18/01/75/135180175.db2.gz ANPKFSKNAAYPAY-LBPRGKRZSA-N 2 0 243.351 -0.320 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000261541358 536557928 /nfs/dbraw/zinc/55/79/28/536557928.db2.gz KFIXIEUVKALHTR-GMTAPVOTSA-N 2 0 241.335 -0.345 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000261541359 536558149 /nfs/dbraw/zinc/55/81/49/536558149.db2.gz KFIXIEUVKALHTR-OUAUKWLOSA-N 2 0 241.335 -0.345 20 0 BBADRP C[NH2+]CC(=O)NCCC[N@H+](C)CCOC ZINC000261541982 135181641 /nfs/dbraw/zinc/18/16/41/135181641.db2.gz GFSRBQYTSIBVOV-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000261542183 535560058 /nfs/dbraw/zinc/56/00/58/535560058.db2.gz NHAVQKYVOJYCRI-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000261542184 535599335 /nfs/dbraw/zinc/59/93/35/535599335.db2.gz NHAVQKYVOJYCRI-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000261542236 535732593 /nfs/dbraw/zinc/73/25/93/535732593.db2.gz OCKDJCVPUNYVCU-QWRGUYRKSA-N 2 0 241.335 -0.690 20 0 BBADRP CC[N@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000261542237 135182757 /nfs/dbraw/zinc/18/27/57/135182757.db2.gz OCKDJCVPUNYVCU-WDEREUQCSA-N 2 0 241.335 -0.690 20 0 BBADRP CCCN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000261543443 135183854 /nfs/dbraw/zinc/18/38/54/135183854.db2.gz HUMRTDRCCUBFJF-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP CCCN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000261543444 135184210 /nfs/dbraw/zinc/18/42/10/135184210.db2.gz HUMRTDRCCUBFJF-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000261543481 536391656 /nfs/dbraw/zinc/39/16/56/536391656.db2.gz SXIXARQOZNLNOK-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000261543483 135184007 /nfs/dbraw/zinc/18/40/07/135184007.db2.gz SXIXARQOZNLNOK-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]CC(=O)NCCN1CCOC[C@H]1C ZINC000261543744 135184627 /nfs/dbraw/zinc/18/46/27/135184627.db2.gz ICPDQIMNXTYHOO-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CC(=O)NCCN1CCOC[C@@H]1C ZINC000261543745 135184823 /nfs/dbraw/zinc/18/48/23/135184823.db2.gz ICPDQIMNXTYHOO-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000261543793 135184526 /nfs/dbraw/zinc/18/45/26/135184526.db2.gz UYUJAXVOIBLIFX-GMTAPVOTSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000261543794 135184972 /nfs/dbraw/zinc/18/49/72/135184972.db2.gz UYUJAXVOIBLIFX-HBNTYKKESA-N 2 0 241.335 -0.297 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000261543812 135184361 /nfs/dbraw/zinc/18/43/61/135184361.db2.gz VGPIQSVDFBTFMW-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000261543813 536391521 /nfs/dbraw/zinc/39/15/21/536391521.db2.gz VGPIQSVDFBTFMW-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261544005 536320510 /nfs/dbraw/zinc/32/05/10/536320510.db2.gz DLJRJWVWRKLTIW-LLVKDONJSA-N 2 0 242.323 -0.497 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261544008 536320185 /nfs/dbraw/zinc/32/01/85/536320185.db2.gz DLJRJWVWRKLTIW-NSHDSACASA-N 2 0 242.323 -0.497 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C[NH3+])OC ZINC000261544401 135185198 /nfs/dbraw/zinc/18/51/98/135185198.db2.gz XVEBDEHAMGIQLU-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C[NH3+])OC ZINC000261544402 135185082 /nfs/dbraw/zinc/18/50/82/135185082.db2.gz XVEBDEHAMGIQLU-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC000261544433 135185408 /nfs/dbraw/zinc/18/54/08/135185408.db2.gz YBJCXTVCVIYWKV-DVVUODLYSA-N 2 0 241.335 -0.692 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC000261544434 135185400 /nfs/dbraw/zinc/18/54/00/135185400.db2.gz YBJCXTVCVIYWKV-MIMYLULJSA-N 2 0 241.335 -0.692 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261544453 135185180 /nfs/dbraw/zinc/18/51/80/135185180.db2.gz YEFWJYVJDYUFOI-QWRGUYRKSA-N 2 0 243.351 -0.443 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000261544454 135185659 /nfs/dbraw/zinc/18/56/59/135185659.db2.gz YEFWJYVJDYUFOI-WDEREUQCSA-N 2 0 243.351 -0.443 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000261544780 135186204 /nfs/dbraw/zinc/18/62/04/135186204.db2.gz ZXBXJBUJKZIQSJ-QWRGUYRKSA-N 2 0 241.335 -0.343 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000261544781 135186195 /nfs/dbraw/zinc/18/61/95/135186195.db2.gz ZXBXJBUJKZIQSJ-WDEREUQCSA-N 2 0 241.335 -0.343 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261545052 135186437 /nfs/dbraw/zinc/18/64/37/135186437.db2.gz JNDRDAMGVQFXND-PSASIEDQSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261545053 135186836 /nfs/dbraw/zinc/18/68/36/135186836.db2.gz JNDRDAMGVQFXND-SCZZXKLOSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261545054 135186880 /nfs/dbraw/zinc/18/68/80/135186880.db2.gz JNDRDAMGVQFXND-WCBMZHEXSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261545055 135186485 /nfs/dbraw/zinc/18/64/85/135186485.db2.gz JNDRDAMGVQFXND-WPRPVWTQSA-N 2 0 211.309 -0.195 20 0 BBADRP CCCN(C(=O)C1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000261545084 535198240 /nfs/dbraw/zinc/19/82/40/535198240.db2.gz JOQIWYDLHNPJIQ-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP CCCN(C(=O)C1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000261545085 535198400 /nfs/dbraw/zinc/19/84/00/535198400.db2.gz JOQIWYDLHNPJIQ-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH+](C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000261545780 135151345 /nfs/dbraw/zinc/15/13/45/135151345.db2.gz KKZVZMCYRRLNOO-UHFFFAOYSA-N 2 0 215.297 -0.957 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000261546322 135238889 /nfs/dbraw/zinc/23/88/89/135238889.db2.gz KUMSSMDBNHSMHO-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000261546323 135238373 /nfs/dbraw/zinc/23/83/73/135238373.db2.gz KUMSSMDBNHSMHO-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C1C[NH2+]C1 ZINC000261546699 135239297 /nfs/dbraw/zinc/23/92/97/135239297.db2.gz LGJRQTWBZDPADE-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C1C[NH2+]C1 ZINC000261546700 135239463 /nfs/dbraw/zinc/23/94/63/135239463.db2.gz LGJRQTWBZDPADE-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261546888 135239478 /nfs/dbraw/zinc/23/94/78/135239478.db2.gz LMALRJJKUOKJGZ-ZJUUUORDSA-N 2 0 209.293 -0.441 20 0 BBADRP C[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261547006 135239656 /nfs/dbraw/zinc/23/96/56/135239656.db2.gz LOCVUWZRZJJFTC-KHQFGBGNSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261547007 135239006 /nfs/dbraw/zinc/23/90/06/135239006.db2.gz LOCVUWZRZJJFTC-NRPADANISA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261547008 135239423 /nfs/dbraw/zinc/23/94/23/135239423.db2.gz LOCVUWZRZJJFTC-OYNCUSHFSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261547009 135239358 /nfs/dbraw/zinc/23/93/58/135239358.db2.gz LOCVUWZRZJJFTC-WEDXCCLWSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@]1(C[N@@H+]2CC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549486 135188042 /nfs/dbraw/zinc/18/80/42/135188042.db2.gz OQWQABXPJCEURJ-GXSJLCMTSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@]1(C[N@@H+]2CC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549487 135188724 /nfs/dbraw/zinc/18/87/24/135188724.db2.gz OQWQABXPJCEURJ-KOLCDFICSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@@]1(C[N@@H+]2CC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549488 135188591 /nfs/dbraw/zinc/18/85/91/135188591.db2.gz OQWQABXPJCEURJ-MWLCHTKSSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@]1(C[N@@H+]2CC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261549489 135188493 /nfs/dbraw/zinc/18/84/93/135188493.db2.gz OQWQABXPJCEURJ-ONGXEEELSA-N 2 0 211.309 -0.207 20 0 BBADRP COCC[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000261549627 135109047 /nfs/dbraw/zinc/10/90/47/135109047.db2.gz OVGSMQWEHCRNIY-UHFFFAOYSA-N 2 0 215.341 -0.012 20 0 BBADRP C[NH2+]CC1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000261549632 536442527 /nfs/dbraw/zinc/44/25/27/536442527.db2.gz OVQGUZUBQIVOLC-UHFFFAOYSA-N 2 0 211.309 -0.336 20 0 BBADRP C[N@H+](CC1CC[NH2+]CC1)CC(C)(CO)CO ZINC000261549697 135188416 /nfs/dbraw/zinc/18/84/16/135188416.db2.gz PBEHSBOYIICMOZ-UHFFFAOYSA-N 2 0 230.352 -0.091 20 0 BBADRP C[NH+](C)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261550952 135189767 /nfs/dbraw/zinc/18/97/67/135189767.db2.gz LQFPLKQYURPZQL-LLVKDONJSA-N 2 0 240.351 -0.946 20 0 BBADRP C[NH+](C)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261550953 135190243 /nfs/dbraw/zinc/19/02/43/135190243.db2.gz LQFPLKQYURPZQL-NSHDSACASA-N 2 0 240.351 -0.946 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261551371 135190289 /nfs/dbraw/zinc/19/02/89/135190289.db2.gz QLQXQGCQKHRHTK-PSASIEDQSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261551372 135190799 /nfs/dbraw/zinc/19/07/99/135190799.db2.gz QLQXQGCQKHRHTK-SCZZXKLOSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261551373 135190673 /nfs/dbraw/zinc/19/06/73/135190673.db2.gz QLQXQGCQKHRHTK-WCBMZHEXSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261551374 135190781 /nfs/dbraw/zinc/19/07/81/135190781.db2.gz QLQXQGCQKHRHTK-WPRPVWTQSA-N 2 0 209.293 -0.584 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000261551652 388643345 /nfs/dbraw/zinc/64/33/45/388643345.db2.gz QRZNQNCNHONMJH-KHQFGBGNSA-N 2 0 211.309 -0.292 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1C[NH2+]C1 ZINC000261551653 176187021 /nfs/dbraw/zinc/18/70/21/176187021.db2.gz QRZNQNCNHONMJH-MRTMQBJTSA-N 2 0 211.309 -0.292 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000261551654 176187401 /nfs/dbraw/zinc/18/74/01/176187401.db2.gz QRZNQNCNHONMJH-NQMVMOMDSA-N 2 0 211.309 -0.292 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C1C[NH2+]C1 ZINC000261551655 176461281 /nfs/dbraw/zinc/46/12/81/176461281.db2.gz QRZNQNCNHONMJH-WEDXCCLWSA-N 2 0 211.309 -0.292 20 0 BBADRP O=C(C1C[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000261553219 135192622 /nfs/dbraw/zinc/19/26/22/135192622.db2.gz SJONIHOAJIXAHO-JTQLQIEISA-N 2 0 209.293 -0.441 20 0 BBADRP O=C(C1C[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000261553220 135193050 /nfs/dbraw/zinc/19/30/50/135193050.db2.gz SJONIHOAJIXAHO-SNVBAGLBSA-N 2 0 209.293 -0.441 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000261553705 535888216 /nfs/dbraw/zinc/88/82/16/535888216.db2.gz SRGDJGIXRCYUJW-GXSJLCMTSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000261553707 535888186 /nfs/dbraw/zinc/88/81/86/535888186.db2.gz SRGDJGIXRCYUJW-KOLCDFICSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000261553708 535888070 /nfs/dbraw/zinc/88/80/70/535888070.db2.gz SRGDJGIXRCYUJW-MWLCHTKSSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000261553710 535888671 /nfs/dbraw/zinc/88/86/71/535888671.db2.gz SRGDJGIXRCYUJW-ONGXEEELSA-N 2 0 211.309 -0.336 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000261555709 135195068 /nfs/dbraw/zinc/19/50/68/135195068.db2.gz VCSFTIFPBKQLHF-BDAKNGLRSA-N 2 0 235.353 -0.795 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000261555710 135195565 /nfs/dbraw/zinc/19/55/65/135195565.db2.gz VCSFTIFPBKQLHF-DTWKUNHWSA-N 2 0 235.353 -0.795 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000261555711 135195137 /nfs/dbraw/zinc/19/51/37/135195137.db2.gz VCSFTIFPBKQLHF-IUCAKERBSA-N 2 0 235.353 -0.795 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000261555712 135195587 /nfs/dbraw/zinc/19/55/87/135195587.db2.gz VCSFTIFPBKQLHF-RKDXNWHRSA-N 2 0 235.353 -0.795 20 0 BBADRP COC1(C(=O)NC[C@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000261555900 536532766 /nfs/dbraw/zinc/53/27/66/536532766.db2.gz QGUUIPGIBOFGJV-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000261556000 135195928 /nfs/dbraw/zinc/19/59/28/135195928.db2.gz VNKNRURCRWKVAD-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000261556002 135195822 /nfs/dbraw/zinc/19/58/22/135195822.db2.gz VNKNRURCRWKVAD-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP COC1(C(=O)NC[C@@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000261556101 536531478 /nfs/dbraw/zinc/53/14/78/536531478.db2.gz QGUUIPGIBOFGJV-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261556293 135196158 /nfs/dbraw/zinc/19/61/58/135196158.db2.gz VYLGUKYHIYIMSF-LLVKDONJSA-N 2 0 209.293 -0.582 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261556294 135196035 /nfs/dbraw/zinc/19/60/35/135196035.db2.gz VYLGUKYHIYIMSF-NSHDSACASA-N 2 0 209.293 -0.582 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000261556505 135196793 /nfs/dbraw/zinc/19/67/93/135196793.db2.gz VZDHYMBRAXEXBU-AOOOYVTPSA-N 2 0 211.309 -0.099 20 0 BBADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261557408 135197894 /nfs/dbraw/zinc/19/78/94/135197894.db2.gz RORFVVABCVGOGU-LLVKDONJSA-N 2 0 240.307 -0.743 20 0 BBADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261557409 135197766 /nfs/dbraw/zinc/19/77/66/135197766.db2.gz RORFVVABCVGOGU-NSHDSACASA-N 2 0 240.307 -0.743 20 0 BBADRP C[C@H](C(=O)NC(N)=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261558815 135199341 /nfs/dbraw/zinc/19/93/41/135199341.db2.gz SRNLHCUNZWBCGH-HLTSFMKQSA-N 2 0 240.307 -0.889 20 0 BBADRP C[C@H](C(=O)NC(N)=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261558816 135199438 /nfs/dbraw/zinc/19/94/38/135199438.db2.gz SRNLHCUNZWBCGH-HRDYMLBCSA-N 2 0 240.307 -0.889 20 0 BBADRP C[C@H](C(=O)NC(N)=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261558817 135199398 /nfs/dbraw/zinc/19/93/98/135199398.db2.gz SRNLHCUNZWBCGH-IWSPIJDZSA-N 2 0 240.307 -0.889 20 0 BBADRP C[C@H](C(=O)NC(N)=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261558818 135199791 /nfs/dbraw/zinc/19/97/91/135199791.db2.gz SRNLHCUNZWBCGH-VGMNWLOBSA-N 2 0 240.307 -0.889 20 0 BBADRP CN(C(=O)[C@H]1CC[NH2+]1)C1CC[NH+](C)CC1 ZINC000261559016 135199752 /nfs/dbraw/zinc/19/97/52/135199752.db2.gz YUBNPKSHAYXQDB-SNVBAGLBSA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)[C@H]1C[NH3+] ZINC000261560864 135201928 /nfs/dbraw/zinc/20/19/28/135201928.db2.gz AFVYFQJTNREWEK-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)[C@H]1C[NH3+] ZINC000261560865 135201643 /nfs/dbraw/zinc/20/16/43/135201643.db2.gz AFVYFQJTNREWEK-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)[C@@H]1C[NH3+] ZINC000261560866 135202149 /nfs/dbraw/zinc/20/21/49/135202149.db2.gz AFVYFQJTNREWEK-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)[C@@H]1C[NH3+] ZINC000261560867 135202055 /nfs/dbraw/zinc/20/20/55/135202055.db2.gz AFVYFQJTNREWEK-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]CC[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000261560879 135202228 /nfs/dbraw/zinc/20/22/28/135202228.db2.gz AGZWBYOIBGUEJX-SECBINFHSA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CC[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000261560880 135202028 /nfs/dbraw/zinc/20/20/28/135202028.db2.gz AGZWBYOIBGUEJX-VIFPVBQESA-N 2 0 211.309 -0.207 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000261561167 135201656 /nfs/dbraw/zinc/20/16/56/135201656.db2.gz AKOVLVZLONUAAF-UWVGGRQHSA-N 2 0 227.308 -0.733 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000261561168 536556337 /nfs/dbraw/zinc/55/63/37/536556337.db2.gz AKOVLVZLONUAAF-VHSXEESVSA-N 2 0 227.308 -0.733 20 0 BBADRP COCC[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000261561169 135202285 /nfs/dbraw/zinc/20/22/85/135202285.db2.gz AKPOCJGZCZEUAD-JTQLQIEISA-N 2 0 201.314 -0.402 20 0 BBADRP COCC[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000261561170 135201818 /nfs/dbraw/zinc/20/18/18/135201818.db2.gz AKPOCJGZCZEUAD-SNVBAGLBSA-N 2 0 201.314 -0.402 20 0 BBADRP C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000261562618 135204762 /nfs/dbraw/zinc/20/47/62/135204762.db2.gz WKOQRSUPBGVBDT-QWHCGFSZSA-N 2 0 239.363 -0.140 20 0 BBADRP C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000261562621 135204055 /nfs/dbraw/zinc/20/40/55/135204055.db2.gz WKOQRSUPBGVBDT-STQMWFEESA-N 2 0 239.363 -0.140 20 0 BBADRP C[C@H](C(=O)NC(N)=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261563718 135205605 /nfs/dbraw/zinc/20/56/05/135205605.db2.gz XFJDOXKCXSDXIO-HLTSFMKQSA-N 2 0 240.307 -0.746 20 0 BBADRP C[C@H](C(=O)NC(N)=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261563719 135205664 /nfs/dbraw/zinc/20/56/64/135205664.db2.gz XFJDOXKCXSDXIO-HRDYMLBCSA-N 2 0 240.307 -0.746 20 0 BBADRP C[C@H](C(=O)NC(N)=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261563720 135205498 /nfs/dbraw/zinc/20/54/98/135205498.db2.gz XFJDOXKCXSDXIO-IWSPIJDZSA-N 2 0 240.307 -0.746 20 0 BBADRP C[C@H](C(=O)NC(N)=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261563721 135205478 /nfs/dbraw/zinc/20/54/78/135205478.db2.gz XFJDOXKCXSDXIO-VGMNWLOBSA-N 2 0 240.307 -0.746 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000261564446 135205691 /nfs/dbraw/zinc/20/56/91/135205691.db2.gz COJVNBWTKTXYRB-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C[NH3+])OC)C1 ZINC000261566040 135208075 /nfs/dbraw/zinc/20/80/75/135208075.db2.gz DGIVEMOFAXQNFC-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C[NH3+])OC)C1 ZINC000261566042 135207358 /nfs/dbraw/zinc/20/73/58/135207358.db2.gz DGIVEMOFAXQNFC-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261567042 135209697 /nfs/dbraw/zinc/20/96/97/135209697.db2.gz ZKXZCUZMBJSRLJ-LLVKDONJSA-N 2 0 240.351 -0.946 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261567043 135209501 /nfs/dbraw/zinc/20/95/01/135209501.db2.gz ZKXZCUZMBJSRLJ-NSHDSACASA-N 2 0 240.351 -0.946 20 0 BBADRP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261567797 135209336 /nfs/dbraw/zinc/20/93/36/135209336.db2.gz FDFZMMWEYIONHE-LLVKDONJSA-N 2 0 206.293 -0.013 20 0 BBADRP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261567798 135209713 /nfs/dbraw/zinc/20/97/13/135209713.db2.gz FDFZMMWEYIONHE-NSHDSACASA-N 2 0 206.293 -0.013 20 0 BBADRP C[NH+](C)[C@@]1(CNC(=O)C[NH3+])CCSC1 ZINC000261568067 135210287 /nfs/dbraw/zinc/21/02/87/135210287.db2.gz FGKPTBUTVMFWRF-SECBINFHSA-N 2 0 217.338 -0.501 20 0 BBADRP C[NH+](C)[C@]1(CNC(=O)C[NH3+])CCSC1 ZINC000261568068 536141724 /nfs/dbraw/zinc/14/17/24/536141724.db2.gz FGKPTBUTVMFWRF-VIFPVBQESA-N 2 0 217.338 -0.501 20 0 BBADRP Cn1cncc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261572657 135215094 /nfs/dbraw/zinc/21/50/94/135215094.db2.gz LXAXZVOKGIQGOF-GFCCVEGCSA-N 2 0 249.362 -0.100 20 0 BBADRP Cn1cncc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261572658 135215297 /nfs/dbraw/zinc/21/52/97/135215297.db2.gz LXAXZVOKGIQGOF-LBPRGKRZSA-N 2 0 249.362 -0.100 20 0 BBADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000261576082 135217249 /nfs/dbraw/zinc/21/72/49/135217249.db2.gz KDZWVYWVFRYUAE-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000261576083 535535428 /nfs/dbraw/zinc/53/54/28/535535428.db2.gz KDZWVYWVFRYUAE-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261578197 135219186 /nfs/dbraw/zinc/21/91/86/135219186.db2.gz LOCVUWZRZJJFTC-MRTMQBJTSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261578198 135219072 /nfs/dbraw/zinc/21/90/72/135219072.db2.gz LOCVUWZRZJJFTC-NQMVMOMDSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261578199 135219050 /nfs/dbraw/zinc/21/90/50/135219050.db2.gz LOCVUWZRZJJFTC-QXFUBDJGSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261578200 135219097 /nfs/dbraw/zinc/21/90/97/135219097.db2.gz LOCVUWZRZJJFTC-XKSSXDPKSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000261578612 135219881 /nfs/dbraw/zinc/21/98/81/135219881.db2.gz LUJKNURHGZUFNM-BDAKNGLRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000261578613 135220110 /nfs/dbraw/zinc/22/01/10/135220110.db2.gz LUJKNURHGZUFNM-DTWKUNHWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000261578614 135219690 /nfs/dbraw/zinc/21/96/90/135219690.db2.gz LUJKNURHGZUFNM-IUCAKERBSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000261578615 135219719 /nfs/dbraw/zinc/21/97/19/135219719.db2.gz LUJKNURHGZUFNM-RKDXNWHRSA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3C[NH2+]C3)C[C@H]12 ZINC000261578895 135220056 /nfs/dbraw/zinc/22/00/56/135220056.db2.gz LZJXUVIGSCYYDO-FKTZTGRPSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3C[NH2+]C3)C[C@@H]12 ZINC000261578896 135219822 /nfs/dbraw/zinc/21/98/22/135219822.db2.gz LZJXUVIGSCYYDO-FXBDTBDDSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3C[NH2+]C3)C[C@@H]12 ZINC000261578897 135219903 /nfs/dbraw/zinc/21/99/03/135219903.db2.gz LZJXUVIGSCYYDO-SZEHBUNVSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3C[NH2+]C3)C[C@H]12 ZINC000261578898 135219564 /nfs/dbraw/zinc/21/95/64/135219564.db2.gz LZJXUVIGSCYYDO-UJNFCWOMSA-N 2 0 209.293 -0.599 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000261579198 135220128 /nfs/dbraw/zinc/22/01/28/135220128.db2.gz MEYYCXQWWWRPES-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000261579199 135220149 /nfs/dbraw/zinc/22/01/49/135220149.db2.gz MEYYCXQWWWRPES-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000261579200 135220089 /nfs/dbraw/zinc/22/00/89/135220089.db2.gz MEYYCXQWWWRPES-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000261579201 135220015 /nfs/dbraw/zinc/22/00/15/135220015.db2.gz MEYYCXQWWWRPES-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000261580294 135110082 /nfs/dbraw/zinc/11/00/82/135110082.db2.gz MXBLYFXVZAJLCG-JTQLQIEISA-N 2 0 215.341 -0.278 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000261581752 135222267 /nfs/dbraw/zinc/22/22/67/135222267.db2.gz NWOFFJPTACTLNI-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000261581753 535566221 /nfs/dbraw/zinc/56/62/21/535566221.db2.gz NWOFFJPTACTLNI-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1CCO ZINC000261586691 135227632 /nfs/dbraw/zinc/22/76/32/135227632.db2.gz RIPPOYMRZVBIEA-JTQLQIEISA-N 2 0 215.341 -0.278 20 0 BBADRP C[C@@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1CCO ZINC000261586692 135227667 /nfs/dbraw/zinc/22/76/67/135227667.db2.gz RIPPOYMRZVBIEA-SNVBAGLBSA-N 2 0 215.341 -0.278 20 0 BBADRP Cn1nncc1C[NH+]1CCC(C[NH3+])CC1 ZINC000261586958 135227621 /nfs/dbraw/zinc/22/76/21/135227621.db2.gz RKQFCUURNXDTHS-UHFFFAOYSA-N 2 0 209.297 -0.014 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[NH2+]CC1CC1 ZINC000261588863 135229357 /nfs/dbraw/zinc/22/93/57/135229357.db2.gz SRPVHLRTQBROFD-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000261589919 135230052 /nfs/dbraw/zinc/23/00/52/135230052.db2.gz UDTVBGVIDALQQG-SECBINFHSA-N 2 0 209.297 -0.675 20 0 BBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000261589920 135229796 /nfs/dbraw/zinc/22/97/96/135229796.db2.gz UDTVBGVIDALQQG-VIFPVBQESA-N 2 0 209.297 -0.675 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000261596250 135235862 /nfs/dbraw/zinc/23/58/62/135235862.db2.gz YRERKPVLHXDAEY-AEJSXWLSSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000261596252 135236366 /nfs/dbraw/zinc/23/63/66/135236366.db2.gz YRERKPVLHXDAEY-BBBLOLIVSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000261596254 135236109 /nfs/dbraw/zinc/23/61/09/135236109.db2.gz YRERKPVLHXDAEY-GUBZILKMSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000261596256 135236349 /nfs/dbraw/zinc/23/63/49/135236349.db2.gz YRERKPVLHXDAEY-IVZWLZJFSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000261596258 135235589 /nfs/dbraw/zinc/23/55/89/135235589.db2.gz YRERKPVLHXDAEY-KXUCPTDWSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000261596260 135236142 /nfs/dbraw/zinc/23/61/42/135236142.db2.gz YRERKPVLHXDAEY-LPEHRKFASA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000261596262 135235851 /nfs/dbraw/zinc/23/58/51/135235851.db2.gz YRERKPVLHXDAEY-OPRDCNLKSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000261596264 135236114 /nfs/dbraw/zinc/23/61/14/135236114.db2.gz YRERKPVLHXDAEY-UTLUCORTSA-N 2 0 211.309 -0.114 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCSC[C@@H]1CCO ZINC000261598443 135236708 /nfs/dbraw/zinc/23/67/08/135236708.db2.gz ZNQQVLGRIKHROJ-JTQLQIEISA-N 2 0 234.365 -0.239 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCSC[C@H]1CCO ZINC000261598445 135237090 /nfs/dbraw/zinc/23/70/90/135237090.db2.gz ZNQQVLGRIKHROJ-SNVBAGLBSA-N 2 0 234.365 -0.239 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261628947 536794754 /nfs/dbraw/zinc/79/47/54/536794754.db2.gz FETCCADZFNIFGW-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261628950 536790915 /nfs/dbraw/zinc/79/09/15/536790915.db2.gz FETCCADZFNIFGW-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@@H]1COCCN1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261680395 135245464 /nfs/dbraw/zinc/24/54/64/135245464.db2.gz JWXCERULUDGLEF-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1COCCN1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261680396 135245476 /nfs/dbraw/zinc/24/54/76/135245476.db2.gz JWXCERULUDGLEF-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1COCCN1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261680397 135245324 /nfs/dbraw/zinc/24/53/24/135245324.db2.gz JWXCERULUDGLEF-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1COCCN1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261680398 135245038 /nfs/dbraw/zinc/24/50/38/135245038.db2.gz JWXCERULUDGLEF-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1CCO ZINC000261683683 135246255 /nfs/dbraw/zinc/24/62/55/135246255.db2.gz AKSHOLSMKSTIFR-CHWSQXEVSA-N 2 0 241.379 -0.016 20 0 BBADRP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1CCO ZINC000261683688 135246063 /nfs/dbraw/zinc/24/60/63/135246063.db2.gz AKSHOLSMKSTIFR-OLZOCXBDSA-N 2 0 241.379 -0.016 20 0 BBADRP C[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1CCO ZINC000261683691 135245980 /nfs/dbraw/zinc/24/59/80/135245980.db2.gz AKSHOLSMKSTIFR-QWHCGFSZSA-N 2 0 241.379 -0.016 20 0 BBADRP C[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1CCO ZINC000261683696 135245665 /nfs/dbraw/zinc/24/56/65/135245665.db2.gz AKSHOLSMKSTIFR-STQMWFEESA-N 2 0 241.379 -0.016 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261697876 536877748 /nfs/dbraw/zinc/87/77/48/536877748.db2.gz LHECRMVXLYVCHX-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261697879 536876802 /nfs/dbraw/zinc/87/68/02/536876802.db2.gz LHECRMVXLYVCHX-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261717619 135247273 /nfs/dbraw/zinc/24/72/73/135247273.db2.gz GQYMDEPVZRROHR-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261717620 135247315 /nfs/dbraw/zinc/24/73/15/135247315.db2.gz GQYMDEPVZRROHR-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261717621 135247536 /nfs/dbraw/zinc/24/75/36/135247536.db2.gz GQYMDEPVZRROHR-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261717622 135247829 /nfs/dbraw/zinc/24/78/29/135247829.db2.gz GQYMDEPVZRROHR-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1C ZINC000261735429 135249053 /nfs/dbraw/zinc/24/90/53/135249053.db2.gz KDVGTGNPIAGAEQ-DBIOUOCHSA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000261735438 135248931 /nfs/dbraw/zinc/24/89/31/135248931.db2.gz KDVGTGNPIAGAEQ-MMWGEVLESA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000261735443 135249247 /nfs/dbraw/zinc/24/92/47/135249247.db2.gz KDVGTGNPIAGAEQ-YTWAJWBKSA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261735446 135249042 /nfs/dbraw/zinc/24/90/42/135249042.db2.gz KDVGTGNPIAGAEQ-ZDCRXTMVSA-N 2 0 241.335 -0.299 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000261744060 135248955 /nfs/dbraw/zinc/24/89/55/135248955.db2.gz IOAZBJJCLYXMNS-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000261744061 135248993 /nfs/dbraw/zinc/24/89/93/135248993.db2.gz IOAZBJJCLYXMNS-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000261744062 135249026 /nfs/dbraw/zinc/24/90/26/135249026.db2.gz IOAZBJJCLYXMNS-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000261744063 135249136 /nfs/dbraw/zinc/24/91/36/135249136.db2.gz IOAZBJJCLYXMNS-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261745277 135248926 /nfs/dbraw/zinc/24/89/26/135248926.db2.gz KTKAXRQKVBUEJQ-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261745279 135249102 /nfs/dbraw/zinc/24/91/02/135249102.db2.gz KTKAXRQKVBUEJQ-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H](C)[NH2+]1 ZINC000261762064 135250413 /nfs/dbraw/zinc/25/04/13/135250413.db2.gz LUOJTUUYVFSCKS-DBIOUOCHSA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)[NH2+]1 ZINC000261762066 135250470 /nfs/dbraw/zinc/25/04/70/135250470.db2.gz LUOJTUUYVFSCKS-MMWGEVLESA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)[NH2+]1 ZINC000261762067 135250693 /nfs/dbraw/zinc/25/06/93/135250693.db2.gz LUOJTUUYVFSCKS-YTWAJWBKSA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@H](C[NH3+])C1 ZINC000261763666 135250350 /nfs/dbraw/zinc/25/03/50/135250350.db2.gz JXFCLEJPQZHZIB-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(N)=[NH2+])C1 ZINC000261771258 135251913 /nfs/dbraw/zinc/25/19/13/135251913.db2.gz MTCNFPPXDAFGDJ-SECBINFHSA-N 2 0 214.313 -0.174 20 0 BBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(N)=[NH2+])C1 ZINC000261771262 535109956 /nfs/dbraw/zinc/10/99/56/535109956.db2.gz MTCNFPPXDAFGDJ-VIFPVBQESA-N 2 0 214.313 -0.174 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261791420 135253604 /nfs/dbraw/zinc/25/36/04/135253604.db2.gz LYVUKAIKZGQNSH-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP [NH3+]CCN(CCc1ccccc1)C(=O)C[NH3+] ZINC000261810731 135254437 /nfs/dbraw/zinc/25/44/37/135254437.db2.gz WTLWZQLEDMJUMD-UHFFFAOYSA-N 2 0 221.304 -0.025 20 0 BBADRP C[C@H](O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261819460 135255029 /nfs/dbraw/zinc/25/50/29/135255029.db2.gz IHIIAMZHJOWRLU-LBPRGKRZSA-N 2 0 241.379 -0.016 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261838084 135256902 /nfs/dbraw/zinc/25/69/02/135256902.db2.gz QKHPIUOLICOCDG-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261838086 536373982 /nfs/dbraw/zinc/37/39/82/536373982.db2.gz QKHPIUOLICOCDG-MXWKQRLJSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000261856667 135257629 /nfs/dbraw/zinc/25/76/29/135257629.db2.gz PGPRKWYCIQIEQL-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000261856671 135257616 /nfs/dbraw/zinc/25/76/16/135257616.db2.gz PGPRKWYCIQIEQL-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP CCN1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]C)C1 ZINC000261873294 135258911 /nfs/dbraw/zinc/25/89/11/135258911.db2.gz ZYRKCMOJBSESLO-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP CCN1CCO[C@H](C(=O)NC[C@H](C)[NH2+]C)C1 ZINC000261873296 135258933 /nfs/dbraw/zinc/25/89/33/135258933.db2.gz ZYRKCMOJBSESLO-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP CCN1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]C)C1 ZINC000261873299 135258722 /nfs/dbraw/zinc/25/87/22/135258722.db2.gz ZYRKCMOJBSESLO-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP CCN1CCO[C@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000261880564 135260142 /nfs/dbraw/zinc/26/01/42/135260142.db2.gz ABMKFTWJYUIUPB-QWRGUYRKSA-N 2 0 241.335 -0.439 20 0 BBADRP CCN1CCO[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000261880566 135260269 /nfs/dbraw/zinc/26/02/69/135260269.db2.gz ABMKFTWJYUIUPB-WDEREUQCSA-N 2 0 241.335 -0.439 20 0 BBADRP COCC[NH+]1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000261881298 135259690 /nfs/dbraw/zinc/25/96/90/135259690.db2.gz RUSVVYBYNGNPHF-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[NH+]1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261881299 135259949 /nfs/dbraw/zinc/25/99/49/135259949.db2.gz RUSVVYBYNGNPHF-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000261884200 135259745 /nfs/dbraw/zinc/25/97/45/135259745.db2.gz ULEZAJOPSDKXGS-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000261884202 135260184 /nfs/dbraw/zinc/26/01/84/135260184.db2.gz ULEZAJOPSDKXGS-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@]1(CN2CCN(CCO)CC2)CC[NH2+]C1 ZINC000261894786 135261112 /nfs/dbraw/zinc/26/11/12/135261112.db2.gz UUNMRYHUNOCTPH-GFCCVEGCSA-N 2 0 227.352 -0.404 20 0 BBADRP C[C@]1(CN2CCN(CCO)CC2)CC[NH2+]C1 ZINC000261894787 135260754 /nfs/dbraw/zinc/26/07/54/135260754.db2.gz UUNMRYHUNOCTPH-LBPRGKRZSA-N 2 0 227.352 -0.404 20 0 BBADRP CCS(=O)(=O)NCCN1CC[C@@](C)(C[NH3+])C1 ZINC000261895380 135261183 /nfs/dbraw/zinc/26/11/83/135261183.db2.gz VZPQTVOKCMHMFF-JTQLQIEISA-N 2 0 249.380 -0.404 20 0 BBADRP CCS(=O)(=O)NCCN1CC[C@](C)(C[NH3+])C1 ZINC000261895385 135261141 /nfs/dbraw/zinc/26/11/41/135261141.db2.gz VZPQTVOKCMHMFF-SNVBAGLBSA-N 2 0 249.380 -0.404 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261907299 135261715 /nfs/dbraw/zinc/26/17/15/135261715.db2.gz XCBHFBPQNWKADJ-AOOOYVTPSA-N 2 0 223.320 -0.336 20 0 BBADRP C[C@H](O)C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261912059 135262865 /nfs/dbraw/zinc/26/28/65/135262865.db2.gz YLMWLEQCATXLLR-QWHCGFSZSA-N 2 0 241.379 -0.016 20 0 BBADRP C[C@H](O)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261912061 135262303 /nfs/dbraw/zinc/26/23/03/135262303.db2.gz YLMWLEQCATXLLR-STQMWFEESA-N 2 0 241.379 -0.016 20 0 BBADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1CCO ZINC000261934545 135264270 /nfs/dbraw/zinc/26/42/70/135264270.db2.gz LVUXNHUTNYCIMJ-GFCCVEGCSA-N 2 0 241.379 -0.016 20 0 BBADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1CCO ZINC000261934547 135264290 /nfs/dbraw/zinc/26/42/90/135264290.db2.gz LVUXNHUTNYCIMJ-LBPRGKRZSA-N 2 0 241.379 -0.016 20 0 BBADRP O=C(CC[N@@H+](CCO)C1CC1)N1CC[NH2+]CC1 ZINC000261996601 135270372 /nfs/dbraw/zinc/27/03/72/135270372.db2.gz DDTBXWLFETUUCA-UHFFFAOYSA-N 2 0 241.335 -0.735 20 0 BBADRP NS(=O)(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261997115 135270228 /nfs/dbraw/zinc/27/02/28/135270228.db2.gz SZFJFUIHQHUCPR-JTQLQIEISA-N 2 0 247.364 -0.651 20 0 BBADRP NS(=O)(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261997117 135270357 /nfs/dbraw/zinc/27/03/57/135270357.db2.gz SZFJFUIHQHUCPR-SNVBAGLBSA-N 2 0 247.364 -0.651 20 0 BBADRP CC(C)[C@@H](C(=O)NCC1C[NH2+]C1)[NH+](C)C ZINC000262001269 135271095 /nfs/dbraw/zinc/27/10/95/135271095.db2.gz HCKBJVMUQNPAGE-JTQLQIEISA-N 2 0 213.325 -0.092 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](C)C[NH2+]1 ZINC000262035057 135275168 /nfs/dbraw/zinc/27/51/68/135275168.db2.gz PRPAZQYSUDNWLY-DBIOUOCHSA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](C)C[NH2+]1 ZINC000262035067 135274613 /nfs/dbraw/zinc/27/46/13/135274613.db2.gz PRPAZQYSUDNWLY-MMWGEVLESA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](C)C[NH2+]1 ZINC000262035075 135275068 /nfs/dbraw/zinc/27/50/68/135275068.db2.gz PRPAZQYSUDNWLY-YTWAJWBKSA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262035087 135275032 /nfs/dbraw/zinc/27/50/32/135275032.db2.gz PRPAZQYSUDNWLY-ZDCRXTMVSA-N 2 0 241.335 -0.299 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000262051388 135275563 /nfs/dbraw/zinc/27/55/63/135275563.db2.gz MOUYMRYYDZKYPP-DCAQKATOSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000262051390 135275594 /nfs/dbraw/zinc/27/55/94/135275594.db2.gz MOUYMRYYDZKYPP-GARJFASQSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000262051393 135276164 /nfs/dbraw/zinc/27/61/64/135276164.db2.gz MOUYMRYYDZKYPP-OUAUKWLOSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000262051398 135276114 /nfs/dbraw/zinc/27/61/14/135276114.db2.gz MOUYMRYYDZKYPP-VWYCJHECSA-N 2 0 241.335 -0.487 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000262067576 135277241 /nfs/dbraw/zinc/27/72/41/135277241.db2.gz BJOMVKIHDGZVCM-IQJOONFLSA-N 2 0 211.309 -0.161 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000262071019 135276849 /nfs/dbraw/zinc/27/68/49/135276849.db2.gz CHGXQYYKQFRMQK-RKDXNWHRSA-N 2 0 215.297 -0.911 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)C1([NH3+])CC1 ZINC000262112055 135279911 /nfs/dbraw/zinc/27/99/11/135279911.db2.gz HJBGYWWOWIVLTR-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP COCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC000262116186 135279687 /nfs/dbraw/zinc/27/96/87/135279687.db2.gz LEJCADUSHWFPSG-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262123513 135280308 /nfs/dbraw/zinc/28/03/08/135280308.db2.gz MNQNQSHKJXBTET-BZNPZCIMSA-N 2 0 215.272 -0.366 20 0 BBADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262123518 135280407 /nfs/dbraw/zinc/28/04/07/135280407.db2.gz MNQNQSHKJXBTET-RBXMUDONSA-N 2 0 215.272 -0.366 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262123521 135280220 /nfs/dbraw/zinc/28/02/20/135280220.db2.gz MNQNQSHKJXBTET-RYPBNFRJSA-N 2 0 215.272 -0.366 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262123526 135280199 /nfs/dbraw/zinc/28/01/99/135280199.db2.gz MNQNQSHKJXBTET-XSPKLOCKSA-N 2 0 215.272 -0.366 20 0 BBADRP [NH3+]CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262123701 135280483 /nfs/dbraw/zinc/28/04/83/135280483.db2.gz MQNWEXGBPNHHOX-GXSJLCMTSA-N 2 0 211.309 -0.159 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262124734 535887631 /nfs/dbraw/zinc/88/76/31/535887631.db2.gz MSVWOOFSKCFNBV-JGVFFNPUSA-N 2 0 203.261 -0.636 20 0 BBADRP C[NH2+]CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000262140221 135281077 /nfs/dbraw/zinc/28/10/77/135281077.db2.gz PLXHHPDXMCXZMP-MWLCHTKSSA-N 2 0 211.309 -0.288 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000262141982 135281047 /nfs/dbraw/zinc/28/10/47/135281047.db2.gz PVVPKNXFXYXGFV-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP NC(=O)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000262148141 135282040 /nfs/dbraw/zinc/28/20/40/135282040.db2.gz FRJAAJACFHJEPC-JTQLQIEISA-N 2 0 227.308 -0.828 20 0 BBADRP NC(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000262148145 135282467 /nfs/dbraw/zinc/28/24/67/135282467.db2.gz FRJAAJACFHJEPC-SNVBAGLBSA-N 2 0 227.308 -0.828 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262218443 135285471 /nfs/dbraw/zinc/28/54/71/135285471.db2.gz OWIMCZLEIRKIQM-QWRGUYRKSA-N 2 0 243.351 -0.016 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262218446 135285183 /nfs/dbraw/zinc/28/51/83/135285183.db2.gz OWIMCZLEIRKIQM-WDEREUQCSA-N 2 0 243.351 -0.016 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000262276456 135289874 /nfs/dbraw/zinc/28/98/74/135289874.db2.gz LCKWTJVZJCPJAR-AXFHLTTASA-N 2 0 243.351 -0.051 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000262276457 135290065 /nfs/dbraw/zinc/29/00/65/135290065.db2.gz LCKWTJVZJCPJAR-DCAQKATOSA-N 2 0 243.351 -0.051 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000262276458 135289850 /nfs/dbraw/zinc/28/98/50/135289850.db2.gz LCKWTJVZJCPJAR-MXWKQRLJSA-N 2 0 243.351 -0.051 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000262276459 135289953 /nfs/dbraw/zinc/28/99/53/135289953.db2.gz LCKWTJVZJCPJAR-VWYCJHECSA-N 2 0 243.351 -0.051 20 0 BBADRP CNC(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262280160 536317194 /nfs/dbraw/zinc/31/71/94/536317194.db2.gz ULSKUHPDBKLDEF-UHFFFAOYSA-N 2 0 240.351 -0.057 20 0 BBADRP COCC[NH+]1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000262336353 135294068 /nfs/dbraw/zinc/29/40/68/135294068.db2.gz HIQILOUBZXWJHP-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[NH+]1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000262336356 135293848 /nfs/dbraw/zinc/29/38/48/135293848.db2.gz HIQILOUBZXWJHP-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+]CCC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000262378350 135297805 /nfs/dbraw/zinc/29/78/05/135297805.db2.gz MRPLZXSBBLKHBW-UHFFFAOYSA-N 2 0 239.323 -0.007 20 0 BBADRP C[C@H](C[NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000262392644 135298378 /nfs/dbraw/zinc/29/83/78/135298378.db2.gz OKLYZJBZKYCFQZ-SECBINFHSA-N 2 0 239.323 -0.022 20 0 BBADRP C[C@@H](C[NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000262392648 135298977 /nfs/dbraw/zinc/29/89/77/135298977.db2.gz OKLYZJBZKYCFQZ-VIFPVBQESA-N 2 0 239.323 -0.022 20 0 BBADRP C[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000262421186 135296309 /nfs/dbraw/zinc/29/63/09/135296309.db2.gz RTLQEJPSNYQHMP-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000262421187 135295871 /nfs/dbraw/zinc/29/58/71/135295871.db2.gz RTLQEJPSNYQHMP-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262431823 135297150 /nfs/dbraw/zinc/29/71/50/135297150.db2.gz TVIDIAUBDKFHTA-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000262431826 135297222 /nfs/dbraw/zinc/29/72/22/135297222.db2.gz TVIDIAUBDKFHTA-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000262431828 135296753 /nfs/dbraw/zinc/29/67/53/135296753.db2.gz TVIDIAUBDKFHTA-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000262431830 135297092 /nfs/dbraw/zinc/29/70/92/135297092.db2.gz TVIDIAUBDKFHTA-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+]CCC(=O)NC1CC[NH+](CCOC)CC1 ZINC000262452996 135300442 /nfs/dbraw/zinc/30/04/42/135300442.db2.gz WDVJSTGARZYLKQ-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CCN1CCO[C@@H](C(=O)N[C@@H](C)C[NH3+])C1 ZINC000262550546 135305224 /nfs/dbraw/zinc/30/52/24/135305224.db2.gz XWNWXHHUZGSAQE-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP CCN1CCO[C@H](C(=O)N[C@@H](C)C[NH3+])C1 ZINC000262550548 135305516 /nfs/dbraw/zinc/30/55/16/135305516.db2.gz XWNWXHHUZGSAQE-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)CCC[NH3+] ZINC000262654075 135310852 /nfs/dbraw/zinc/31/08/52/135310852.db2.gz MCHVFHDNPUCQKK-UHFFFAOYSA-N 2 0 231.340 -0.190 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)CC[NH3+] ZINC000262659743 135311778 /nfs/dbraw/zinc/31/17/78/135311778.db2.gz NJBLPVHBJSFRGJ-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000262661072 135312006 /nfs/dbraw/zinc/31/20/06/135312006.db2.gz GLHPCRMEUXWXPH-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000262661074 135311631 /nfs/dbraw/zinc/31/16/31/135311631.db2.gz GLHPCRMEUXWXPH-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000262661975 135311838 /nfs/dbraw/zinc/31/18/38/135311838.db2.gz GPZUABLHWRLHCR-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000262661977 135311731 /nfs/dbraw/zinc/31/17/31/135311731.db2.gz GPZUABLHWRLHCR-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+](C)CCOC ZINC000262671535 136374719 /nfs/dbraw/zinc/37/47/19/136374719.db2.gz RVLJVUIEGNABFP-LLVKDONJSA-N 2 0 245.367 -0.074 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCCC[N@H+](C)CCOC ZINC000262671536 136374676 /nfs/dbraw/zinc/37/46/76/136374676.db2.gz RVLJVUIEGNABFP-NSHDSACASA-N 2 0 245.367 -0.074 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)C(C)(C)[NH3+] ZINC000262673256 136374751 /nfs/dbraw/zinc/37/47/51/136374751.db2.gz SRBMMXOJLVOLRD-UHFFFAOYSA-N 2 0 231.340 -0.192 20 0 BBADRP [NH3+]CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262674232 136374583 /nfs/dbraw/zinc/37/45/83/136374583.db2.gz QOZTTXVQLBZGRF-UHFFFAOYSA-N 2 0 241.335 -0.484 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000262682895 536877400 /nfs/dbraw/zinc/87/74/00/536877400.db2.gz YULBFCOFOTZCFS-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262682896 536876356 /nfs/dbraw/zinc/87/63/56/536876356.db2.gz YULBFCOFOTZCFS-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000262723491 135315303 /nfs/dbraw/zinc/31/53/03/135315303.db2.gz GLCAOQNCVUBIKJ-IVZWLZJFSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000262723492 135315696 /nfs/dbraw/zinc/31/56/96/135315696.db2.gz GLCAOQNCVUBIKJ-KXUCPTDWSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000262723493 135315587 /nfs/dbraw/zinc/31/55/87/135315587.db2.gz GLCAOQNCVUBIKJ-LPEHRKFASA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H]1C ZINC000262723494 135315272 /nfs/dbraw/zinc/31/52/72/135315272.db2.gz GLCAOQNCVUBIKJ-OPRDCNLKSA-N 2 0 227.308 -0.816 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262796190 135319331 /nfs/dbraw/zinc/31/93/31/135319331.db2.gz NMMYWCUMKKEFJJ-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262796192 135319123 /nfs/dbraw/zinc/31/91/23/135319123.db2.gz NMMYWCUMKKEFJJ-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262796193 135319148 /nfs/dbraw/zinc/31/91/48/135319148.db2.gz NMMYWCUMKKEFJJ-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262796195 135318863 /nfs/dbraw/zinc/31/88/63/135318863.db2.gz NMMYWCUMKKEFJJ-ZJUUUORDSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000262834103 135320738 /nfs/dbraw/zinc/32/07/38/135320738.db2.gz VZWPRAFIKMBIDQ-IVZWLZJFSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000262834107 135320719 /nfs/dbraw/zinc/32/07/19/135320719.db2.gz VZWPRAFIKMBIDQ-KXUCPTDWSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000262834110 135321026 /nfs/dbraw/zinc/32/10/26/135321026.db2.gz VZWPRAFIKMBIDQ-LPEHRKFASA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000262834114 135320935 /nfs/dbraw/zinc/32/09/35/135320935.db2.gz VZWPRAFIKMBIDQ-OPRDCNLKSA-N 2 0 227.308 -0.769 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCN(CC[NH3+])CC1 ZINC000263012110 535489565 /nfs/dbraw/zinc/48/95/65/535489565.db2.gz PUCZIVNUOIFDEV-UHFFFAOYSA-N 2 0 242.367 -0.569 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)[C@@H]2C1 ZINC000263338657 135348584 /nfs/dbraw/zinc/34/85/84/135348584.db2.gz WYTKXDZLMBLGCT-GXSJLCMTSA-N 2 0 223.320 -0.242 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)[C@H]2C1 ZINC000263338667 135347925 /nfs/dbraw/zinc/34/79/25/135347925.db2.gz WYTKXDZLMBLGCT-KOLCDFICSA-N 2 0 223.320 -0.242 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C3C[NH2+]C3)[C@@H]2C1 ZINC000263338677 135348460 /nfs/dbraw/zinc/34/84/60/135348460.db2.gz WYTKXDZLMBLGCT-MWLCHTKSSA-N 2 0 223.320 -0.242 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)[C@H]2C1 ZINC000263338688 135348415 /nfs/dbraw/zinc/34/84/15/135348415.db2.gz WYTKXDZLMBLGCT-ONGXEEELSA-N 2 0 223.320 -0.242 20 0 BBADRP COCC[N@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000265683454 174276264 /nfs/dbraw/zinc/27/62/64/174276264.db2.gz WMQNXWXEGIXZSB-AATRIKPKSA-N 2 0 243.351 -0.201 20 0 BBADRP C[NH+](C)C/C=C/C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269871152 172399225 /nfs/dbraw/zinc/39/92/25/172399225.db2.gz GCQSMGIBWXPZFD-NNNHXZLVSA-N 2 0 243.351 -0.467 20 0 BBADRP C[NH+](C)C/C=C/C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269871154 172399384 /nfs/dbraw/zinc/39/93/84/172399384.db2.gz GCQSMGIBWXPZFD-SYTKJHMZSA-N 2 0 243.351 -0.467 20 0 BBADRP OCCC[N@H+](CCO)CCn1ccnc1 ZINC000270907478 491074424 /nfs/dbraw/zinc/07/44/24/491074424.db2.gz SGEUTZKWQHAZKD-UHFFFAOYSA-N 2 0 213.281 -0.440 20 0 BBADRP C[NH+](C)C/C=C/C(=O)N1CC([NH+](C)C)C1 ZINC000271680324 172397933 /nfs/dbraw/zinc/39/79/33/172397933.db2.gz CLWWCJHRHIYFDT-AATRIKPKSA-N 2 0 211.309 -0.123 20 0 BBADRP C[NH+](C)CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000271877044 385856186 /nfs/dbraw/zinc/85/61/86/385856186.db2.gz ZQDIJWOWEMYMMH-UHFFFAOYSA-N 2 0 211.309 -0.074 20 0 BBADRP OCCC[N@H+](CCO)CCCn1ccnc1 ZINC000271986894 389027699 /nfs/dbraw/zinc/02/76/99/389027699.db2.gz PGRHQHCNSYACQX-UHFFFAOYSA-N 2 0 227.308 -0.050 20 0 BBADRP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCn1ccnc1 ZINC000282306639 177173675 /nfs/dbraw/zinc/17/36/75/177173675.db2.gz KCXYGUKLEJSALT-VHSXEESVSA-N 2 0 222.292 -0.003 20 0 BBADRP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCn1ccnc1 ZINC000282306643 176184010 /nfs/dbraw/zinc/18/40/10/176184010.db2.gz KCXYGUKLEJSALT-ZJUUUORDSA-N 2 0 222.292 -0.003 20 0 BBADRP C[N@H+](CCOCCO)CCn1ccnc1 ZINC000282480020 384290915 /nfs/dbraw/zinc/29/09/15/384290915.db2.gz MGXCHRPEMPMUGP-UHFFFAOYSA-N 2 0 213.281 -0.176 20 0 BBADRP C[C@@H]1C(=O)NCCN1CCc1cncn1C ZINC000289525025 176045966 /nfs/dbraw/zinc/04/59/66/176045966.db2.gz GETLIOPNEXVWAG-SECBINFHSA-N 2 0 222.292 -0.217 20 0 BBADRP C[C@H]1C(=O)NCCN1CCc1cncn1C ZINC000289525029 177059776 /nfs/dbraw/zinc/05/97/76/177059776.db2.gz GETLIOPNEXVWAG-VIFPVBQESA-N 2 0 222.292 -0.217 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300027715 385126176 /nfs/dbraw/zinc/12/61/76/385126176.db2.gz HPQJHSFBBHJNIS-MXWKQRLJSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300027716 385125229 /nfs/dbraw/zinc/12/52/29/385125229.db2.gz HPQJHSFBBHJNIS-VWYCJHECSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000300031134 344521260 /nfs/dbraw/zinc/52/12/60/344521260.db2.gz PCEUVYFJYXUUGX-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C[NH3+])OC)C1 ZINC000300031135 344521617 /nfs/dbraw/zinc/52/16/17/344521617.db2.gz PCEUVYFJYXUUGX-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](C[NH3+])OC)C1 ZINC000300034768 170014902 /nfs/dbraw/zinc/01/49/02/170014902.db2.gz YBPYUPQNJNKRSH-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C[NH3+])OC)C1 ZINC000300034769 170006421 /nfs/dbraw/zinc/00/64/21/170006421.db2.gz YBPYUPQNJNKRSH-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000300037893 487499100 /nfs/dbraw/zinc/49/91/00/487499100.db2.gz FPIKCEURZSUDMW-QWRGUYRKSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000300037895 487498947 /nfs/dbraw/zinc/49/89/47/487498947.db2.gz FPIKCEURZSUDMW-WDEREUQCSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000300215359 582497401 /nfs/dbraw/zinc/49/74/01/582497401.db2.gz BEDARNKDPNEIDI-OUAUKWLOSA-N 2 0 214.309 -0.180 20 0 BBADRP C[C@@H](O)C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000300215360 582497382 /nfs/dbraw/zinc/49/73/82/582497382.db2.gz BEDARNKDPNEIDI-VWYCJHECSA-N 2 0 214.309 -0.180 20 0 BBADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000300352870 487509622 /nfs/dbraw/zinc/50/96/22/487509622.db2.gz QPNJYMQIRLFFGN-GXSJLCMTSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000300352871 487509547 /nfs/dbraw/zinc/50/95/47/487509547.db2.gz QPNJYMQIRLFFGN-ONGXEEELSA-N 2 0 211.309 -0.207 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@H](COC)OC)C1 ZINC000300362327 487510316 /nfs/dbraw/zinc/51/03/16/487510316.db2.gz CQRSNIKQPVLUPU-NXEZZACHSA-N 2 0 202.298 -0.059 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@H](COC)OC)C1 ZINC000300362328 487510105 /nfs/dbraw/zinc/51/01/05/487510105.db2.gz CQRSNIKQPVLUPU-VHSXEESVSA-N 2 0 202.298 -0.059 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000300366342 384701182 /nfs/dbraw/zinc/70/11/82/384701182.db2.gz CFTAXFMIXAEVFM-NXEZZACHSA-N 2 0 231.340 -0.193 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000300366343 171305674 /nfs/dbraw/zinc/30/56/74/171305674.db2.gz CFTAXFMIXAEVFM-VHSXEESVSA-N 2 0 231.340 -0.193 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C[NH3+])OC ZINC000300374906 171306807 /nfs/dbraw/zinc/30/68/07/171306807.db2.gz CMBAVNFUZYUTPU-UWVGGRQHSA-N 2 0 231.340 -0.193 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C[NH3+])OC ZINC000300374907 384714435 /nfs/dbraw/zinc/71/44/35/384714435.db2.gz CMBAVNFUZYUTPU-ZJUUUORDSA-N 2 0 231.340 -0.193 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000300375147 487511634 /nfs/dbraw/zinc/51/16/34/487511634.db2.gz CQIYXPRZNDYSSV-GMTAPVOTSA-N 2 0 214.309 -0.003 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000300375149 487511988 /nfs/dbraw/zinc/51/19/88/487511988.db2.gz CQIYXPRZNDYSSV-OUAUKWLOSA-N 2 0 214.309 -0.003 20 0 BBADRP COC[C@@H](C[N@@H+]1CC[C@H](C[NH3+])C1)OC ZINC000300385348 487511805 /nfs/dbraw/zinc/51/18/05/487511805.db2.gz YIJSJNSUTSHWLB-NXEZZACHSA-N 2 0 202.298 -0.072 20 0 BBADRP COC[C@H](C[N@@H+]1CC[C@H](C[NH3+])C1)OC ZINC000300385349 487512008 /nfs/dbraw/zinc/51/20/08/487512008.db2.gz YIJSJNSUTSHWLB-ZJUUUORDSA-N 2 0 202.298 -0.072 20 0 BBADRP COC[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300394212 346612848 /nfs/dbraw/zinc/61/28/48/346612848.db2.gz LQMSPXMLPKPJNB-AEJSXWLSSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300394213 346612862 /nfs/dbraw/zinc/61/28/62/346612862.db2.gz LQMSPXMLPKPJNB-GUBZILKMSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)OC ZINC000300586059 487492198 /nfs/dbraw/zinc/49/21/98/487492198.db2.gz YFFQXKCPTFUCDU-NEPJUHHUSA-N 2 0 246.351 -0.306 20 0 BBADRP COC[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)OC ZINC000300586060 487492518 /nfs/dbraw/zinc/49/25/18/487492518.db2.gz YFFQXKCPTFUCDU-RYUDHWBXSA-N 2 0 246.351 -0.306 20 0 BBADRP CN1CC[C@@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000300939320 411128599 /nfs/dbraw/zinc/12/85/99/411128599.db2.gz DCYGPDRZJBVARU-SECBINFHSA-N 2 0 215.297 -0.876 20 0 BBADRP CN1CC[C@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000300939321 411128559 /nfs/dbraw/zinc/12/85/59/411128559.db2.gz DCYGPDRZJBVARU-VIFPVBQESA-N 2 0 215.297 -0.876 20 0 BBADRP CNC(=O)CCC[N@H+](C)CCOCC[NH3+] ZINC000301014270 349515953 /nfs/dbraw/zinc/51/59/53/349515953.db2.gz HNCZLUUYRLBPKQ-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP C[C@H](C(=O)N(C)C)[N@H+](C)CCOCC[NH3+] ZINC000301042957 383877384 /nfs/dbraw/zinc/87/73/84/383877384.db2.gz KZAPABGUHGIQTE-SECBINFHSA-N 2 0 217.313 -0.630 20 0 BBADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CCOCC[NH3+] ZINC000301042958 383877812 /nfs/dbraw/zinc/87/78/12/383877812.db2.gz KZAPABGUHGIQTE-VIFPVBQESA-N 2 0 217.313 -0.630 20 0 BBADRP Cn1nccc1CC[N@H+](C)CCOCC[NH3+] ZINC000301047204 386642984 /nfs/dbraw/zinc/64/29/84/386642984.db2.gz PHTTTXVBHLTLIA-UHFFFAOYSA-N 2 0 226.324 -0.130 20 0 BBADRP CCCNC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000301048172 383877248 /nfs/dbraw/zinc/87/72/48/383877248.db2.gz QGFWGZJCYQEEJF-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP CCCNC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000301048173 383877666 /nfs/dbraw/zinc/87/76/66/383877666.db2.gz QGFWGZJCYQEEJF-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CN(C)C(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000301048191 490574079 /nfs/dbraw/zinc/57/40/79/490574079.db2.gz QHHYHSZDZYREDA-UHFFFAOYSA-N 2 0 217.313 -0.628 20 0 BBADRP C[N@H+](CCOCC[NH3+])CCN1CCOCC1 ZINC000301050980 352586590 /nfs/dbraw/zinc/58/65/90/352586590.db2.gz SZPXSDXTTFKQGU-UHFFFAOYSA-N 2 0 231.340 -0.774 20 0 BBADRP Cn1cc(CC[N@H+](C)CCOCC[NH3+])cn1 ZINC000301051004 383880329 /nfs/dbraw/zinc/88/03/29/383880329.db2.gz TUQVQSSOXCQRTI-UHFFFAOYSA-N 2 0 226.324 -0.130 20 0 BBADRP C[C@H](C(=O)NC1CC1)[N@H+](C)CCOCC[NH3+] ZINC000301052846 383880465 /nfs/dbraw/zinc/88/04/65/383880465.db2.gz WYMUYZFBAOHCPJ-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCOCC[NH3+] ZINC000301052847 383881506 /nfs/dbraw/zinc/88/15/06/383881506.db2.gz WYMUYZFBAOHCPJ-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP CC[C@H](C(N)=O)[N@H+](C)CCOCC[NH3+] ZINC000301053237 383881552 /nfs/dbraw/zinc/88/15/52/383881552.db2.gz XUPNMURZAAIMCS-MRVPVSSYSA-N 2 0 203.286 -0.843 20 0 BBADRP CC[C@@H](C(N)=O)[N@H+](C)CCOCC[NH3+] ZINC000301053238 383881260 /nfs/dbraw/zinc/88/12/60/383881260.db2.gz XUPNMURZAAIMCS-QMMMGPOBSA-N 2 0 203.286 -0.843 20 0 BBADRP Cn1cncc1C[NH2+]CC(=O)N1CCOCC1 ZINC000301728267 385402376 /nfs/dbraw/zinc/40/23/76/385402376.db2.gz MHIFXFMKVVKJKE-UHFFFAOYSA-N 2 0 238.291 -0.632 20 0 BBADRP COCC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000302301718 384134693 /nfs/dbraw/zinc/13/46/93/384134693.db2.gz NBWBCUUZKNOHCD-NEPJUHHUSA-N 2 0 246.351 -0.570 20 0 BBADRP COCC[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000302301720 384134942 /nfs/dbraw/zinc/13/49/42/384134942.db2.gz NBWBCUUZKNOHCD-NWDGAFQWSA-N 2 0 246.351 -0.570 20 0 BBADRP COCC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000302302513 384134710 /nfs/dbraw/zinc/13/47/10/384134710.db2.gz NBWBCUUZKNOHCD-RYUDHWBXSA-N 2 0 246.351 -0.570 20 0 BBADRP COCC[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000302302518 384135665 /nfs/dbraw/zinc/13/56/65/384135665.db2.gz NBWBCUUZKNOHCD-VXGBXAGGSA-N 2 0 246.351 -0.570 20 0 BBADRP COC1(C(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000303389038 350116965 /nfs/dbraw/zinc/11/69/65/350116965.db2.gz MJLKTSJSNVYBDJ-UHFFFAOYSA-N 2 0 227.308 -0.813 20 0 BBADRP C[NH2+]CCN(C)C(=O)C1(OC)CC[NH2+]CC1 ZINC000303496978 398183259 /nfs/dbraw/zinc/18/32/59/398183259.db2.gz BWPZXZSMBKTILW-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000303974646 350136605 /nfs/dbraw/zinc/13/66/05/350136605.db2.gz AYKIVOZWPNXJMT-LLVKDONJSA-N 2 0 215.341 -0.454 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000303974648 350136008 /nfs/dbraw/zinc/13/60/08/350136008.db2.gz AYKIVOZWPNXJMT-NSHDSACASA-N 2 0 215.341 -0.454 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000303995407 488047707 /nfs/dbraw/zinc/04/77/07/488047707.db2.gz OWGUIBSTEHMABS-GFCCVEGCSA-N 2 0 245.367 -0.827 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000303995410 488047319 /nfs/dbraw/zinc/04/73/19/488047319.db2.gz OWGUIBSTEHMABS-LBPRGKRZSA-N 2 0 245.367 -0.827 20 0 BBADRP C[N@H+](CCCO)CCCN1CC[NH+](C)CC1 ZINC000304429282 387477957 /nfs/dbraw/zinc/47/79/57/387477957.db2.gz MKLCMVHOSFSZRR-UHFFFAOYSA-N 2 0 229.368 -0.062 20 0 BBADRP CC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304534434 644915061 /nfs/dbraw/zinc/91/50/61/644915061.db2.gz HMNOHXIUBFVTSN-NEPJUHHUSA-N 2 0 227.352 -0.263 20 0 BBADRP CC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304534443 643124734 /nfs/dbraw/zinc/12/47/34/643124734.db2.gz HMNOHXIUBFVTSN-RYUDHWBXSA-N 2 0 227.352 -0.263 20 0 BBADRP CN(CC[N@H+](C)CCO)C1CC[NH+](C)CC1 ZINC000304775029 387510840 /nfs/dbraw/zinc/51/08/40/387510840.db2.gz GOKFVIIXKFEYRA-UHFFFAOYSA-N 2 0 229.368 -0.064 20 0 BBADRP CC[C@@H](C(=O)N1CCN(CCO)CC1)[NH+](C)C ZINC000305086823 387550779 /nfs/dbraw/zinc/55/07/79/387550779.db2.gz UPDWQTWEEHDRHN-NSHDSACASA-N 2 0 243.351 -0.537 20 0 BBADRP O[C@H]1CC[NH+](CCCC[N@H+]2CC[C@H](O)C2)C1 ZINC000305240685 323015114 /nfs/dbraw/zinc/01/51/14/323015114.db2.gz AJJAQBHGRATKLO-RYUDHWBXSA-N 2 0 228.336 -0.100 20 0 BBADRP O[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](O)C2)C1 ZINC000305240686 323015088 /nfs/dbraw/zinc/01/50/88/323015088.db2.gz AJJAQBHGRATKLO-TXEJJXNPSA-N 2 0 228.336 -0.100 20 0 BBADRP O[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000305240687 323015151 /nfs/dbraw/zinc/01/51/51/323015151.db2.gz AJJAQBHGRATKLO-VXGBXAGGSA-N 2 0 228.336 -0.100 20 0 BBADRP C[C@H](CC[N@@H+]1CC[C@H](O)C1)[NH+]1CC[C@@H](O)C1 ZINC000305243133 490272483 /nfs/dbraw/zinc/27/24/83/490272483.db2.gz CVXVPHAEPDCTJL-GRYCIOLGSA-N 2 0 228.336 -0.102 20 0 BBADRP C[C@H](CC[N@@H+]1CC[C@@H](O)C1)[NH+]1CC[C@@H](O)C1 ZINC000305243135 490452292 /nfs/dbraw/zinc/45/22/92/490452292.db2.gz CVXVPHAEPDCTJL-IJLUTSLNSA-N 2 0 228.336 -0.102 20 0 BBADRP C[C@H](CC[N@@H+]1CC[C@@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000305243137 490452085 /nfs/dbraw/zinc/45/20/85/490452085.db2.gz CVXVPHAEPDCTJL-UTUOFQBUSA-N 2 0 228.336 -0.102 20 0 BBADRP C[C@H](CC[N@@H+]1CC[C@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000305243138 490452162 /nfs/dbraw/zinc/45/21/62/490452162.db2.gz CVXVPHAEPDCTJL-WOPDTQHZSA-N 2 0 228.336 -0.102 20 0 BBADRP C[C@H](C[NH+]1CC[C@@H](O)C1)C[N@@H+]1CC[C@H](O)C1 ZINC000305267962 387591265 /nfs/dbraw/zinc/59/12/65/387591265.db2.gz WECSMFGOIOULRR-CNDDSTCGSA-N 2 0 228.336 -0.244 20 0 BBADRP CC(C[NH+]1CC[C@H](O)C1)C[N@@H+]1CC[C@H](O)C1 ZINC000305267963 387590379 /nfs/dbraw/zinc/59/03/79/387590379.db2.gz WECSMFGOIOULRR-RYUDHWBXSA-N 2 0 228.336 -0.244 20 0 BBADRP CC(C[NH+]1CC[C@@H](O)C1)C[N@@H+]1CC[C@@H](O)C1 ZINC000305267964 387590802 /nfs/dbraw/zinc/59/08/02/387590802.db2.gz WECSMFGOIOULRR-VXGBXAGGSA-N 2 0 228.336 -0.244 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CC[NH2+]1 ZINC000306154067 487953227 /nfs/dbraw/zinc/95/32/27/487953227.db2.gz BJCYNDHWDOLRNZ-BIIVOSGPSA-N 2 0 201.245 -0.836 20 0 BBADRP CC(C)([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000306433862 384948899 /nfs/dbraw/zinc/94/88/99/384948899.db2.gz YEAAREIEXQYGPN-BQBZGAKWSA-N 2 0 203.261 -0.460 20 0 BBADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2COC[C@H]2O)C1 ZINC000306497916 353019718 /nfs/dbraw/zinc/01/97/18/353019718.db2.gz CKYDXWLASQJTMN-AXTSPUMRSA-N 2 0 200.282 -0.394 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2COC[C@H]2O)C1 ZINC000306497917 353019974 /nfs/dbraw/zinc/01/99/74/353019974.db2.gz CKYDXWLASQJTMN-SGIHWFKDSA-N 2 0 200.282 -0.394 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000306515090 535207153 /nfs/dbraw/zinc/20/71/53/535207153.db2.gz CGKVTCVQEXDNKM-SECBINFHSA-N 2 0 203.261 -0.459 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000306554332 360428858 /nfs/dbraw/zinc/42/88/58/360428858.db2.gz BNCACIASIWIULZ-LURJTMIESA-N 2 0 207.224 -0.694 20 0 BBADRP [NH3+]CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000306554333 360428869 /nfs/dbraw/zinc/42/88/69/360428869.db2.gz BNCACIASIWIULZ-ZCFIWIBFSA-N 2 0 207.224 -0.694 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000306685109 387704061 /nfs/dbraw/zinc/70/40/61/387704061.db2.gz IPWMWTWKYQAGGZ-APPZFPTMSA-N 2 0 201.245 -0.752 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000306685111 387705885 /nfs/dbraw/zinc/70/58/85/387705885.db2.gz IPWMWTWKYQAGGZ-CBAPKCEASA-N 2 0 201.245 -0.752 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000306685112 387705083 /nfs/dbraw/zinc/70/50/83/387705083.db2.gz IPWMWTWKYQAGGZ-IONNQARKSA-N 2 0 201.245 -0.752 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000306685114 387704891 /nfs/dbraw/zinc/70/48/91/387704891.db2.gz IPWMWTWKYQAGGZ-VXNVDRBHSA-N 2 0 201.245 -0.752 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000306697248 385159058 /nfs/dbraw/zinc/15/90/58/385159058.db2.gz YYYDQORAESADBX-SECBINFHSA-N 2 0 203.261 -0.459 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000306697249 188331205 /nfs/dbraw/zinc/33/12/05/188331205.db2.gz YYYDQORAESADBX-VIFPVBQESA-N 2 0 203.261 -0.459 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1C[NH2+]C1 ZINC000307125842 182228976 /nfs/dbraw/zinc/22/89/76/182228976.db2.gz AZKBJNMBCUONQB-YUMQZZPRSA-N 2 0 201.245 -0.978 20 0 BBADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1OCCO1 ZINC000307133974 635983350 /nfs/dbraw/zinc/98/33/50/635983350.db2.gz NGXCLPMEUHQMOI-AOOOYVTPSA-N 2 0 212.293 -0.099 20 0 BBADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1OCCO1 ZINC000307133975 635982807 /nfs/dbraw/zinc/98/28/07/635982807.db2.gz NGXCLPMEUHQMOI-NXEZZACHSA-N 2 0 212.293 -0.099 20 0 BBADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1OCCO1 ZINC000307133976 635982313 /nfs/dbraw/zinc/98/23/13/635982313.db2.gz NGXCLPMEUHQMOI-UWVGGRQHSA-N 2 0 212.293 -0.099 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000307197356 411513136 /nfs/dbraw/zinc/51/31/36/411513136.db2.gz VTEQJFQTQFZMKG-BDAKNGLRSA-N 2 0 201.314 -0.228 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000307197357 411467250 /nfs/dbraw/zinc/46/72/50/411467250.db2.gz VTEQJFQTQFZMKG-DTWKUNHWSA-N 2 0 201.314 -0.228 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000307197358 411467428 /nfs/dbraw/zinc/46/74/28/411467428.db2.gz VTEQJFQTQFZMKG-IUCAKERBSA-N 2 0 201.314 -0.228 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000307197359 411468132 /nfs/dbraw/zinc/46/81/32/411468132.db2.gz VTEQJFQTQFZMKG-RKDXNWHRSA-N 2 0 201.314 -0.228 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000307298520 411470545 /nfs/dbraw/zinc/47/05/45/411470545.db2.gz QYQLVDFVFMMWMM-BQBZGAKWSA-N 2 0 201.245 -0.706 20 0 BBADRP C[NH+](C)CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000307772237 398344415 /nfs/dbraw/zinc/34/44/15/398344415.db2.gz KHLBJQBRJLFFSC-LURJTMIESA-N 2 0 227.230 -0.056 20 0 BBADRP C[NH+](C)CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000307772241 398344386 /nfs/dbraw/zinc/34/43/86/398344386.db2.gz KHLBJQBRJLFFSC-ZCFIWIBFSA-N 2 0 227.230 -0.056 20 0 BBADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307932257 641195518 /nfs/dbraw/zinc/19/55/18/641195518.db2.gz COUBZZCBWXSMBJ-BQBZGAKWSA-N 2 0 230.230 -0.449 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307932259 641194471 /nfs/dbraw/zinc/19/44/71/641194471.db2.gz COUBZZCBWXSMBJ-NKWVEPMBSA-N 2 0 230.230 -0.449 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)CC(F)(F)F ZINC000307932261 641194620 /nfs/dbraw/zinc/19/46/20/641194620.db2.gz COUBZZCBWXSMBJ-RNFRBKRXSA-N 2 0 230.230 -0.449 20 0 BBADRP C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H](O)C[NH3+] ZINC000307932262 641195256 /nfs/dbraw/zinc/19/52/56/641195256.db2.gz COUBZZCBWXSMBJ-RQJHMYQMSA-N 2 0 230.230 -0.449 20 0 BBADRP CC(=O)NCC[N@@H+](C)CCOCC[NH3+] ZINC000308204787 259339022 /nfs/dbraw/zinc/33/90/22/259339022.db2.gz XVEACFVQFJNLMX-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP COC(=O)NCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000308226122 388433482 /nfs/dbraw/zinc/43/34/82/388433482.db2.gz DSSPFRGSVMMGJO-JTQLQIEISA-N 2 0 245.323 -0.613 20 0 BBADRP COC(=O)NCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000308226124 388433697 /nfs/dbraw/zinc/43/36/97/388433697.db2.gz DSSPFRGSVMMGJO-SNVBAGLBSA-N 2 0 245.323 -0.613 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000308519840 398160435 /nfs/dbraw/zinc/16/04/35/398160435.db2.gz XDUPAPFKHCMHBC-LURJTMIESA-N 2 0 209.240 -0.353 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000308519841 398160082 /nfs/dbraw/zinc/16/00/82/398160082.db2.gz XDUPAPFKHCMHBC-ZCFIWIBFSA-N 2 0 209.240 -0.353 20 0 BBADRP CC[C@@H](CO)[NH2+]C[C@H](O)CN(C)CC ZINC000308526409 631422253 /nfs/dbraw/zinc/42/22/53/631422253.db2.gz PGENRQGWPUVEAQ-UWVGGRQHSA-N 2 0 204.314 -0.341 20 0 BBADRP CC[C@@H](CO)[NH2+]C[C@@H](O)CN(C)CC ZINC000308526410 631422131 /nfs/dbraw/zinc/42/21/31/631422131.db2.gz PGENRQGWPUVEAQ-VHSXEESVSA-N 2 0 204.314 -0.341 20 0 BBADRP CC[C@H](CO)[NH2+]C[C@H](O)CN(C)CC ZINC000308526411 631421539 /nfs/dbraw/zinc/42/15/39/631421539.db2.gz PGENRQGWPUVEAQ-ZJUUUORDSA-N 2 0 204.314 -0.341 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CCC1 ZINC000308532080 259340249 /nfs/dbraw/zinc/34/02/49/259340249.db2.gz QYBNBHBLEOUOKN-JTQLQIEISA-N 2 0 202.298 -0.369 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC1 ZINC000308532081 259340055 /nfs/dbraw/zinc/34/00/55/259340055.db2.gz QYBNBHBLEOUOKN-SNVBAGLBSA-N 2 0 202.298 -0.369 20 0 BBADRP NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000308705199 181231249 /nfs/dbraw/zinc/23/12/49/181231249.db2.gz GBCBHYGJABZYKG-UWVGGRQHSA-N 2 0 211.309 -0.207 20 0 BBADRP NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000308705201 181231403 /nfs/dbraw/zinc/23/14/03/181231403.db2.gz GBCBHYGJABZYKG-VHSXEESVSA-N 2 0 211.309 -0.207 20 0 BBADRP COC[C@@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308754601 491137979 /nfs/dbraw/zinc/13/79/79/491137979.db2.gz VWALFNPDEPHDOU-GUBZILKMSA-N 2 0 200.282 -0.855 20 0 BBADRP CC[N@H+](CCOCC[NH3+])CCC(=O)NC ZINC000308798924 631650319 /nfs/dbraw/zinc/65/03/19/631650319.db2.gz LUJDQGMFSLDGMD-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](C)N1CCOCC[NH3+] ZINC000308805408 348695368 /nfs/dbraw/zinc/69/53/68/348695368.db2.gz ASRWVOAUDFHLCL-AOOOYVTPSA-N 2 0 201.314 -0.356 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000308821515 348710929 /nfs/dbraw/zinc/71/09/29/348710929.db2.gz CDRAJXLAORSERF-JGVFFNPUSA-N 2 0 219.354 -0.080 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000308821517 323179255 /nfs/dbraw/zinc/17/92/55/323179255.db2.gz CDRAJXLAORSERF-YUMQZZPRSA-N 2 0 219.354 -0.080 20 0 BBADRP C[C@@H]1CN(CCOCC[NH3+])C[C@H](C)[NH2+]1 ZINC000308833060 346924031 /nfs/dbraw/zinc/92/40/31/346924031.db2.gz GYNXHZCDPKKXNA-AOOOYVTPSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@@H]1CN(CCOCC[NH3+])C[C@@H](C)[NH2+]1 ZINC000308833061 346924192 /nfs/dbraw/zinc/92/41/92/346924192.db2.gz GYNXHZCDPKKXNA-NXEZZACHSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@H]1CN(CCOCC[NH3+])C[C@H](C)[NH2+]1 ZINC000308833062 348770633 /nfs/dbraw/zinc/77/06/33/348770633.db2.gz GYNXHZCDPKKXNA-UWVGGRQHSA-N 2 0 201.314 -0.356 20 0 BBADRP CC[C@H](C(N)=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308838139 348771460 /nfs/dbraw/zinc/77/14/60/348771460.db2.gz MCHMFWIFMVRUAM-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H](C(N)=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308838142 348771438 /nfs/dbraw/zinc/77/14/38/348771438.db2.gz MCHMFWIFMVRUAM-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H](C(N)=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308838145 348771424 /nfs/dbraw/zinc/77/14/24/348771424.db2.gz MCHMFWIFMVRUAM-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H](C(N)=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308838149 348771482 /nfs/dbraw/zinc/77/14/82/348771482.db2.gz MCHMFWIFMVRUAM-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCC[NH3+] ZINC000308848476 348854229 /nfs/dbraw/zinc/85/42/29/348854229.db2.gz NBWXWWGDBYZPPR-NXEZZACHSA-N 3 0 201.314 -0.227 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOCC[NH3+] ZINC000308848478 348853976 /nfs/dbraw/zinc/85/39/76/348853976.db2.gz NBWXWWGDBYZPPR-UWVGGRQHSA-N 3 0 201.314 -0.227 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCC[NH3+] ZINC000308848480 348854004 /nfs/dbraw/zinc/85/40/04/348854004.db2.gz NBWXWWGDBYZPPR-VHSXEESVSA-N 3 0 201.314 -0.227 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOCC[NH3+] ZINC000308848481 348854161 /nfs/dbraw/zinc/85/41/61/348854161.db2.gz NBWXWWGDBYZPPR-ZJUUUORDSA-N 3 0 201.314 -0.227 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[NH2+]CC1 ZINC000308850491 631921395 /nfs/dbraw/zinc/92/13/95/631921395.db2.gz MPOXGYRRALKVDK-JTQLQIEISA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC[NH2+]CC1 ZINC000308850499 631921237 /nfs/dbraw/zinc/92/12/37/631921237.db2.gz MPOXGYRRALKVDK-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H](C(N)=O)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308856847 348907993 /nfs/dbraw/zinc/90/79/93/348907993.db2.gz QTDDQYAUSXQGMW-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H](C(N)=O)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308856850 348908096 /nfs/dbraw/zinc/90/80/96/348908096.db2.gz QTDDQYAUSXQGMW-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000308866678 385233500 /nfs/dbraw/zinc/23/35/00/385233500.db2.gz FYTCUJAGSLCRPJ-APPZFPTMSA-N 2 0 203.261 -0.588 20 0 BBADRP C[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000308866679 385233335 /nfs/dbraw/zinc/23/33/35/385233335.db2.gz FYTCUJAGSLCRPJ-CBAPKCEASA-N 2 0 203.261 -0.588 20 0 BBADRP C[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000308866680 385233595 /nfs/dbraw/zinc/23/35/95/385233595.db2.gz FYTCUJAGSLCRPJ-IONNQARKSA-N 2 0 203.261 -0.588 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000308866681 173446548 /nfs/dbraw/zinc/44/65/48/173446548.db2.gz FYTCUJAGSLCRPJ-VXNVDRBHSA-N 2 0 203.261 -0.588 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308872043 631698950 /nfs/dbraw/zinc/69/89/50/631698950.db2.gz ZKKWLRHEBFDBNW-AXFHLTTASA-N 2 0 214.309 -0.323 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308872045 632036619 /nfs/dbraw/zinc/03/66/19/632036619.db2.gz ZKKWLRHEBFDBNW-GMTAPVOTSA-N 2 0 214.309 -0.323 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308872047 631698916 /nfs/dbraw/zinc/69/89/16/631698916.db2.gz ZKKWLRHEBFDBNW-HBNTYKKESA-N 2 0 214.309 -0.323 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308872049 631698989 /nfs/dbraw/zinc/69/89/89/631698989.db2.gz ZKKWLRHEBFDBNW-MXWKQRLJSA-N 2 0 214.309 -0.323 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308872701 631701938 /nfs/dbraw/zinc/70/19/38/631701938.db2.gz SXALZPBDUANTLK-GHMZBOCLSA-N 2 0 214.309 -0.321 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308872702 632038711 /nfs/dbraw/zinc/03/87/11/632038711.db2.gz SXALZPBDUANTLK-MNOVXSKESA-N 2 0 214.309 -0.321 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308872703 632039564 /nfs/dbraw/zinc/03/95/64/632039564.db2.gz SXALZPBDUANTLK-QWRGUYRKSA-N 2 0 214.309 -0.321 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308872704 631701392 /nfs/dbraw/zinc/70/13/92/631701392.db2.gz SXALZPBDUANTLK-WDEREUQCSA-N 2 0 214.309 -0.321 20 0 BBADRP C[NH2+]C1(C(=O)N2CCC[NH2+]CC2)CCC1 ZINC000308879033 632068173 /nfs/dbraw/zinc/06/81/73/632068173.db2.gz VAPPNOHFKVHGTG-UHFFFAOYSA-N 2 0 211.309 -0.050 20 0 BBADRP CC1([NH3+])CC[NH+](CCOCC[NH3+])CC1 ZINC000308883944 409935240 /nfs/dbraw/zinc/93/52/40/409935240.db2.gz VEDQGTQGKWYUAI-UHFFFAOYSA-N 3 0 201.314 -0.225 20 0 BBADRP O=C1NCCC[C@@H]1[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308890687 491139542 /nfs/dbraw/zinc/13/95/42/491139542.db2.gz WRLHHCBOJWUAQP-AEJSXWLSSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C1NCCC[C@@H]1[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308890688 491139579 /nfs/dbraw/zinc/13/95/79/491139579.db2.gz WRLHHCBOJWUAQP-BBBLOLIVSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C1NCCC[C@@H]1[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308890689 491139599 /nfs/dbraw/zinc/13/95/99/491139599.db2.gz WRLHHCBOJWUAQP-GUBZILKMSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C1NCCC[C@H]1[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308890690 491139586 /nfs/dbraw/zinc/13/95/86/491139586.db2.gz WRLHHCBOJWUAQP-KXUCPTDWSA-N 2 0 209.293 -0.584 20 0 BBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](O)C1 ZINC000308893439 487722879 /nfs/dbraw/zinc/72/28/79/487722879.db2.gz YQZLWFAQBPKKRO-GHMZBOCLSA-N 2 0 216.325 -0.246 20 0 BBADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](O)C1 ZINC000308893441 487723576 /nfs/dbraw/zinc/72/35/76/487723576.db2.gz YQZLWFAQBPKKRO-MNOVXSKESA-N 2 0 216.325 -0.246 20 0 BBADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](O)C1 ZINC000308893443 487723173 /nfs/dbraw/zinc/72/31/73/487723173.db2.gz YQZLWFAQBPKKRO-QWRGUYRKSA-N 2 0 216.325 -0.246 20 0 BBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](O)C1 ZINC000308893445 410790665 /nfs/dbraw/zinc/79/06/65/410790665.db2.gz YQZLWFAQBPKKRO-WDEREUQCSA-N 2 0 216.325 -0.246 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)C[NH2+]C ZINC000308893552 349054773 /nfs/dbraw/zinc/05/47/73/349054773.db2.gz YGSGMWSJITWXOT-DTWKUNHWSA-N 2 0 201.314 -0.044 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C)C[NH2+]C ZINC000308893554 349054714 /nfs/dbraw/zinc/05/47/14/349054714.db2.gz YGSGMWSJITWXOT-RKDXNWHRSA-N 2 0 201.314 -0.044 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](O)C1 ZINC000308894466 410790123 /nfs/dbraw/zinc/79/01/23/410790123.db2.gz YYFPMCDSDRIJJY-GHMZBOCLSA-N 2 0 216.325 -0.244 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](O)C1 ZINC000308894468 410789438 /nfs/dbraw/zinc/78/94/38/410789438.db2.gz YYFPMCDSDRIJJY-MNOVXSKESA-N 2 0 216.325 -0.244 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])COC ZINC000308915984 323181576 /nfs/dbraw/zinc/18/15/76/323181576.db2.gz BEFSGSXHOPCIQP-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1CCOCC[NH3+] ZINC000308930662 259340725 /nfs/dbraw/zinc/34/07/25/259340725.db2.gz FGEIQSLRKUERNN-JTQLQIEISA-N 2 0 201.314 -0.355 20 0 BBADRP C[NH2+]C[C@H]1CCCN1CCOCC[NH3+] ZINC000308930663 259340522 /nfs/dbraw/zinc/34/05/22/259340522.db2.gz FGEIQSLRKUERNN-SNVBAGLBSA-N 2 0 201.314 -0.355 20 0 BBADRP C[C@H](C(N)=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000308949489 384386327 /nfs/dbraw/zinc/38/63/27/384386327.db2.gz XEQVPOSJFRBDFA-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000308949490 384387216 /nfs/dbraw/zinc/38/72/16/384387216.db2.gz XEQVPOSJFRBDFA-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP CC[C@H](C(N)=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308978019 346945610 /nfs/dbraw/zinc/94/56/10/346945610.db2.gz CRQOTWLYUYQVIL-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[C@H](C(N)=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000308978020 346945969 /nfs/dbraw/zinc/94/59/69/346945969.db2.gz CRQOTWLYUYQVIL-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C)C[NH2+]CCN1CCOCC[NH3+] ZINC000308979301 410192251 /nfs/dbraw/zinc/19/22/51/410192251.db2.gz HOPYYNSSIXCXGO-UHFFFAOYSA-N 2 0 201.314 -0.355 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000308989762 631781244 /nfs/dbraw/zinc/78/12/44/631781244.db2.gz KUPYYXWIAKCHLK-APPZFPTMSA-N 2 0 203.261 -0.459 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000308989763 631782235 /nfs/dbraw/zinc/78/22/35/631782235.db2.gz KUPYYXWIAKCHLK-CBAPKCEASA-N 2 0 203.261 -0.459 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000308989764 631781960 /nfs/dbraw/zinc/78/19/60/631781960.db2.gz KUPYYXWIAKCHLK-IONNQARKSA-N 2 0 203.261 -0.459 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000308989765 631781306 /nfs/dbraw/zinc/78/13/06/631781306.db2.gz KUPYYXWIAKCHLK-VXNVDRBHSA-N 2 0 203.261 -0.459 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000308993331 349268664 /nfs/dbraw/zinc/26/86/64/349268664.db2.gz LSZQEEXSXMGBCP-HTQZYQBOSA-N 2 0 219.354 -0.080 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000308993332 349268579 /nfs/dbraw/zinc/26/85/79/349268579.db2.gz LSZQEEXSXMGBCP-JGVFFNPUSA-N 2 0 219.354 -0.080 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000308993333 349268961 /nfs/dbraw/zinc/26/89/61/349268961.db2.gz LSZQEEXSXMGBCP-SFYZADRCSA-N 2 0 219.354 -0.080 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000308993334 349269026 /nfs/dbraw/zinc/26/90/26/349269026.db2.gz LSZQEEXSXMGBCP-YUMQZZPRSA-N 2 0 219.354 -0.080 20 0 BBADRP C[C@H]([NH3+])CN(C)CCN1CC[NH2+]CC1 ZINC000309004698 491051651 /nfs/dbraw/zinc/05/16/51/491051651.db2.gz PHZXFSBJNBQYDS-JTQLQIEISA-N 2 0 200.330 -0.829 20 0 BBADRP C[C@@H]([NH3+])CN(C)CCN1CC[NH2+]CC1 ZINC000309004699 488003521 /nfs/dbraw/zinc/00/35/21/488003521.db2.gz PHZXFSBJNBQYDS-SNVBAGLBSA-N 2 0 200.330 -0.829 20 0 BBADRP CC(=O)NCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309006895 349285093 /nfs/dbraw/zinc/28/50/93/349285093.db2.gz QFQVGMOXDHSAFG-GHMZBOCLSA-N 2 0 211.309 -0.336 20 0 BBADRP CC(=O)NCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309006896 349285073 /nfs/dbraw/zinc/28/50/73/349285073.db2.gz QFQVGMOXDHSAFG-PHIMTYICSA-N 2 0 211.309 -0.336 20 0 BBADRP CC(=O)NCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309006897 349285197 /nfs/dbraw/zinc/28/51/97/349285197.db2.gz QFQVGMOXDHSAFG-QWRGUYRKSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH2+][C@H]1CCCN(CCOCC[NH3+])C1 ZINC000309014654 349304384 /nfs/dbraw/zinc/30/43/84/349304384.db2.gz TWWXUHGYZYXCTO-JTQLQIEISA-N 2 0 201.314 -0.355 20 0 BBADRP C[NH2+][C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000309014657 349303665 /nfs/dbraw/zinc/30/36/65/349303665.db2.gz TWWXUHGYZYXCTO-SNVBAGLBSA-N 2 0 201.314 -0.355 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000309016008 323190064 /nfs/dbraw/zinc/19/00/64/323190064.db2.gz UMIOTSHCNMCURZ-SFYZADRCSA-N 2 0 219.354 -0.222 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000309016009 323190087 /nfs/dbraw/zinc/19/00/87/323190087.db2.gz UMIOTSHCNMCURZ-YUMQZZPRSA-N 2 0 219.354 -0.222 20 0 BBADRP C[N@H+](CCOCC[NH3+])C1CC[NH2+]CC1 ZINC000309016585 349304932 /nfs/dbraw/zinc/30/49/32/349304932.db2.gz URQBROUAHKBIBF-UHFFFAOYSA-N 3 0 201.314 -0.355 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H](C[NH3+])OC ZINC000309019219 349304651 /nfs/dbraw/zinc/30/46/51/349304651.db2.gz WACYGKJBQRDPMK-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H](C[NH3+])OC ZINC000309019220 349305079 /nfs/dbraw/zinc/30/50/79/349305079.db2.gz WACYGKJBQRDPMK-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP C[N@H+](CCOCC[NH3+])CC(C)(C)C[NH3+] ZINC000309022132 349305877 /nfs/dbraw/zinc/30/58/77/349305877.db2.gz XSWCHZXZKLMQJP-UHFFFAOYSA-N 3 0 203.330 -0.122 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])C(C)C ZINC000309023481 410200704 /nfs/dbraw/zinc/20/07/04/410200704.db2.gz YQHRCSCMNMCTME-DTWKUNHWSA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])C(C)C ZINC000309023483 491051723 /nfs/dbraw/zinc/05/17/23/491051723.db2.gz YQHRCSCMNMCTME-RKDXNWHRSA-N 2 0 201.314 -0.059 20 0 BBADRP C[C@H](C[NH3+])NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000309023809 323194297 /nfs/dbraw/zinc/19/42/97/323194297.db2.gz YUUFAROLEBIZCZ-HTQZYQBOSA-N 2 0 217.338 -0.455 20 0 BBADRP C[C@H](C[NH3+])NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000309023810 323194384 /nfs/dbraw/zinc/19/43/84/323194384.db2.gz YUUFAROLEBIZCZ-SFYZADRCSA-N 2 0 217.338 -0.455 20 0 BBADRP C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309034034 631808400 /nfs/dbraw/zinc/80/84/00/631808400.db2.gz DSVPUHKINZEXHQ-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)CC[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000309036243 385942495 /nfs/dbraw/zinc/94/24/95/385942495.db2.gz GFDQXLOPOLFDMD-JTQLQIEISA-N 2 0 211.309 -0.112 20 0 BBADRP CN(C(=O)CC[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000309036244 385942360 /nfs/dbraw/zinc/94/23/60/385942360.db2.gz GFDQXLOPOLFDMD-SNVBAGLBSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@H+](CCOCC[NH3+])CCn1cncn1 ZINC000309041410 488046982 /nfs/dbraw/zinc/04/69/82/488046982.db2.gz KDRWBVYJMTUZQS-UHFFFAOYSA-N 2 0 213.285 -0.815 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@]1(C)C[NH3+] ZINC000309041632 176246030 /nfs/dbraw/zinc/24/60/30/176246030.db2.gz KHUHCWXFRABKBQ-MWLCHTKSSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@H](C[NH3+])N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309051838 631827523 /nfs/dbraw/zinc/82/75/23/631827523.db2.gz QDHSKLVVMDDYFV-GHMZBOCLSA-N 2 0 215.341 -0.278 20 0 BBADRP C[C@H](C[NH3+])N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309051839 631827116 /nfs/dbraw/zinc/82/71/16/631827116.db2.gz QDHSKLVVMDDYFV-MNOVXSKESA-N 2 0 215.341 -0.278 20 0 BBADRP C[C@@H](C[NH3+])N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309051840 632629324 /nfs/dbraw/zinc/62/93/24/632629324.db2.gz QDHSKLVVMDDYFV-QWRGUYRKSA-N 2 0 215.341 -0.278 20 0 BBADRP C[C@@H](C[NH3+])N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309051841 632630994 /nfs/dbraw/zinc/63/09/94/632630994.db2.gz QDHSKLVVMDDYFV-WDEREUQCSA-N 2 0 215.341 -0.278 20 0 BBADRP O[C@@H](CN1CCC(O)CC1)C[NH+]1CCCC1 ZINC000309059859 632631428 /nfs/dbraw/zinc/63/14/28/632631428.db2.gz UKEMHDDLAIBYAJ-GFCCVEGCSA-N 2 0 228.336 -0.100 20 0 BBADRP O[C@H](CN1CCC(O)CC1)C[NH+]1CCCC1 ZINC000309059860 632630001 /nfs/dbraw/zinc/63/00/01/632630001.db2.gz UKEMHDDLAIBYAJ-LBPRGKRZSA-N 2 0 228.336 -0.100 20 0 BBADRP [NH3+]CCN(CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309075023 631836421 /nfs/dbraw/zinc/83/64/21/631836421.db2.gz JEFUSTBQUIHUGX-ZJUUUORDSA-N 2 0 201.314 -0.633 20 0 BBADRP [NH3+]CCOCC[NH+]1CCC(C[NH3+])CC1 ZINC000309083265 349963760 /nfs/dbraw/zinc/96/37/60/349963760.db2.gz SSQGETNZBUHBOT-UHFFFAOYSA-N 3 0 201.314 -0.368 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000309087408 173351839 /nfs/dbraw/zinc/35/18/39/173351839.db2.gz ZNPMRBGETZMEKW-SECBINFHSA-N 2 0 203.261 -0.634 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000309087409 173351912 /nfs/dbraw/zinc/35/19/12/173351912.db2.gz ZNPMRBGETZMEKW-VIFPVBQESA-N 2 0 203.261 -0.634 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309088118 632636647 /nfs/dbraw/zinc/63/66/47/632636647.db2.gz CIDYUQNAGUJKTD-GHMZBOCLSA-N 2 0 213.325 -0.524 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309088119 632636360 /nfs/dbraw/zinc/63/63/60/632636360.db2.gz CIDYUQNAGUJKTD-MNOVXSKESA-N 2 0 213.325 -0.524 20 0 BBADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000309094141 385405618 /nfs/dbraw/zinc/40/56/18/385405618.db2.gz CEDSYLVUMVZQKK-AXFHLTTASA-N 2 0 214.309 -0.180 20 0 BBADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000309094142 385406185 /nfs/dbraw/zinc/40/61/85/385406185.db2.gz CEDSYLVUMVZQKK-DCAQKATOSA-N 2 0 214.309 -0.180 20 0 BBADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@]1(O)CCN(C)C1 ZINC000309094143 385405118 /nfs/dbraw/zinc/40/51/18/385405118.db2.gz CEDSYLVUMVZQKK-GARJFASQSA-N 2 0 214.309 -0.180 20 0 BBADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@]1(O)CCN(C)C1 ZINC000309094144 385405592 /nfs/dbraw/zinc/40/55/92/385405592.db2.gz CEDSYLVUMVZQKK-HBNTYKKESA-N 2 0 214.309 -0.180 20 0 BBADRP COCC[NH2+]CCNC(=O)C(C)(C)[NH3+] ZINC000309097802 259342184 /nfs/dbraw/zinc/34/21/84/259342184.db2.gz DMUPFDHZQJATSL-UHFFFAOYSA-N 2 0 203.286 -0.924 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000309100606 631883015 /nfs/dbraw/zinc/88/30/15/631883015.db2.gz FNBMLABUGTYVTO-APPZFPTMSA-N 2 0 203.261 -0.601 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000309100607 631884226 /nfs/dbraw/zinc/88/42/26/631884226.db2.gz FNBMLABUGTYVTO-CBAPKCEASA-N 2 0 203.261 -0.601 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000309100608 631883842 /nfs/dbraw/zinc/88/38/42/631883842.db2.gz FNBMLABUGTYVTO-IONNQARKSA-N 2 0 203.261 -0.601 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000309100610 631884395 /nfs/dbraw/zinc/88/43/95/631884395.db2.gz FNBMLABUGTYVTO-VXNVDRBHSA-N 2 0 203.261 -0.601 20 0 BBADRP COC[C@]1(C(=O)NCCC[NH3+])CC[NH2+]C1 ZINC000309101673 323317611 /nfs/dbraw/zinc/31/76/11/323317611.db2.gz JPNCACIPDHVANN-JTQLQIEISA-N 2 0 215.297 -0.923 20 0 BBADRP COC[C@@]1(C(=O)NCCC[NH3+])CC[NH2+]C1 ZINC000309101674 323317557 /nfs/dbraw/zinc/31/75/57/323317557.db2.gz JPNCACIPDHVANN-SNVBAGLBSA-N 2 0 215.297 -0.923 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@H](C[NH3+])OC ZINC000309101806 349986581 /nfs/dbraw/zinc/98/65/81/349986581.db2.gz GEEWUBIXHXYICJ-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@@H](C[NH3+])OC ZINC000309101807 349986825 /nfs/dbraw/zinc/98/68/25/349986825.db2.gz GEEWUBIXHXYICJ-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP C[C@@H](CO)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309105030 385424902 /nfs/dbraw/zinc/42/49/02/385424902.db2.gz LOLFHLGNPKGEKM-GXSJLCMTSA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@H](CO)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309105031 385424566 /nfs/dbraw/zinc/42/45/66/385424566.db2.gz LOLFHLGNPKGEKM-KOLCDFICSA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@H](CO)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309105032 385424932 /nfs/dbraw/zinc/42/49/32/385424932.db2.gz LOLFHLGNPKGEKM-MWLCHTKSSA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@@H](CO)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309105033 385423986 /nfs/dbraw/zinc/42/39/86/385423986.db2.gz LOLFHLGNPKGEKM-ONGXEEELSA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@@H]([NH3+])CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309105440 632639601 /nfs/dbraw/zinc/63/96/01/632639601.db2.gz LTOXIITZTGUYJN-GHMZBOCLSA-N 2 0 215.341 -0.278 20 0 BBADRP C[C@@H]([NH3+])CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309105441 632640019 /nfs/dbraw/zinc/64/00/19/632640019.db2.gz LTOXIITZTGUYJN-MNOVXSKESA-N 2 0 215.341 -0.278 20 0 BBADRP C[C@H]([NH3+])CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309105442 632640403 /nfs/dbraw/zinc/64/04/03/632640403.db2.gz LTOXIITZTGUYJN-QWRGUYRKSA-N 2 0 215.341 -0.278 20 0 BBADRP C[C@H]([NH3+])CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309105443 631888670 /nfs/dbraw/zinc/88/86/70/631888670.db2.gz LTOXIITZTGUYJN-WDEREUQCSA-N 2 0 215.341 -0.278 20 0 BBADRP COCC[NH2+]CC(=O)N(C)CCC[NH3+] ZINC000309107557 410249725 /nfs/dbraw/zinc/24/97/25/410249725.db2.gz IOWSKJBOYOYHLV-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP COCC[NH2+]CC(=O)NCC[C@H](C)[NH3+] ZINC000309112735 259342101 /nfs/dbraw/zinc/34/21/01/259342101.db2.gz KGIVJXMWMHMXQC-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP CN(CCCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309124275 383900922 /nfs/dbraw/zinc/90/09/22/383900922.db2.gz VQQUNTOKKURECZ-NSHDSACASA-N 2 0 216.325 -0.244 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)CC[NH3+] ZINC000309125802 350078428 /nfs/dbraw/zinc/07/84/28/350078428.db2.gz PMKLDUPKCRGMIZ-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)CC[NH3+] ZINC000309125803 350078392 /nfs/dbraw/zinc/07/83/92/350078392.db2.gz PMKLDUPKCRGMIZ-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP COCC[NH2+]CCNC(=O)CCC[NH3+] ZINC000309126220 350078598 /nfs/dbraw/zinc/07/85/98/350078598.db2.gz PRLUXCHHVWTWSL-UHFFFAOYSA-N 2 0 203.286 -0.923 20 0 BBADRP CN(CCC[NH3+])C[C@H](O)C[NH+]1CCCC1 ZINC000309126673 633850757 /nfs/dbraw/zinc/85/07/57/633850757.db2.gz WPKQQEOFTDCXBF-NSHDSACASA-N 2 0 215.341 -0.276 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309127043 491129023 /nfs/dbraw/zinc/12/90/23/491129023.db2.gz QCNQTUXLSYCSQV-SFYZADRCSA-N 2 0 203.286 -0.940 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309127046 410865656 /nfs/dbraw/zinc/86/56/56/410865656.db2.gz QCNQTUXLSYCSQV-YUMQZZPRSA-N 2 0 203.286 -0.940 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000309131004 350076795 /nfs/dbraw/zinc/07/67/95/350076795.db2.gz QZRBGNKBCKJMDI-NXEZZACHSA-N 2 0 201.314 -0.369 20 0 BBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000309131005 350076933 /nfs/dbraw/zinc/07/69/33/350076933.db2.gz QZRBGNKBCKJMDI-UWVGGRQHSA-N 2 0 201.314 -0.369 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000309131006 350076754 /nfs/dbraw/zinc/07/67/54/350076754.db2.gz QZRBGNKBCKJMDI-VHSXEESVSA-N 2 0 201.314 -0.369 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000309131007 350076864 /nfs/dbraw/zinc/07/68/64/350076864.db2.gz QZRBGNKBCKJMDI-ZJUUUORDSA-N 2 0 201.314 -0.369 20 0 BBADRP O[C@H](CN1CC[C@H](O)C1)C[NH+]1CCCC1 ZINC000309134188 631903561 /nfs/dbraw/zinc/90/35/61/631903561.db2.gz YNGAGQMZSTWUBX-QWRGUYRKSA-N 2 0 214.309 -0.490 20 0 BBADRP O[C@@H](CN1CC[C@H](O)C1)C[NH+]1CCCC1 ZINC000309134189 631902497 /nfs/dbraw/zinc/90/24/97/631902497.db2.gz YNGAGQMZSTWUBX-WDEREUQCSA-N 2 0 214.309 -0.490 20 0 BBADRP COCC[NH2+]CC(=O)NCC(C)(C)[NH3+] ZINC000309136803 323319193 /nfs/dbraw/zinc/31/91/93/323319193.db2.gz SEPOIIDMFYXCKN-UHFFFAOYSA-N 2 0 203.286 -0.924 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000309144057 346970744 /nfs/dbraw/zinc/97/07/44/346970744.db2.gz UMRNNIPAFLQXKG-QMMMGPOBSA-N 2 0 219.354 -0.126 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000309160516 631923137 /nfs/dbraw/zinc/92/31/37/631923137.db2.gz YUUFAROLEBIZCZ-JGVFFNPUSA-N 2 0 217.338 -0.455 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000309160517 631924251 /nfs/dbraw/zinc/92/42/51/631924251.db2.gz YUUFAROLEBIZCZ-YUMQZZPRSA-N 2 0 217.338 -0.455 20 0 BBADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000309162708 487670480 /nfs/dbraw/zinc/67/04/80/487670480.db2.gz ZRLJIIAEHGNOBX-KXUCPTDWSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000309162711 487670710 /nfs/dbraw/zinc/67/07/10/487670710.db2.gz ZRLJIIAEHGNOBX-UTLUCORTSA-N 2 0 211.309 -0.195 20 0 BBADRP CC[NH2+]CCCNC(=O)COCC[NH3+] ZINC000309163134 410268531 /nfs/dbraw/zinc/26/85/31/410268531.db2.gz ZXJDZJJPBOYPIW-UHFFFAOYSA-N 2 0 203.286 -0.923 20 0 BBADRP CN(C)S(=O)(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000309175212 385991332 /nfs/dbraw/zinc/99/13/32/385991332.db2.gz BZJCJLXCSMKLHC-UHFFFAOYSA-N 2 0 249.380 -0.452 20 0 BBADRP Cn1ncc(CNCCOCC[NH+](C)C)n1 ZINC000309215832 631969392 /nfs/dbraw/zinc/96/93/92/631969392.db2.gz FNDGCRLHSHBYGR-UHFFFAOYSA-N 2 0 227.312 -0.517 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)CCC[NH3+] ZINC000309223503 633870499 /nfs/dbraw/zinc/87/04/99/633870499.db2.gz HDDFGGRSWMCSAY-LLVKDONJSA-N 2 0 233.356 -0.794 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)CCC[NH3+] ZINC000309223504 633870874 /nfs/dbraw/zinc/87/08/74/633870874.db2.gz HDDFGGRSWMCSAY-NSHDSACASA-N 2 0 233.356 -0.794 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)C[NH3+] ZINC000309244070 633873706 /nfs/dbraw/zinc/87/37/06/633873706.db2.gz LLZKHVSRTIVZEZ-GHMZBOCLSA-N 2 0 233.356 -0.796 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@H](C)C[NH3+] ZINC000309244072 631979451 /nfs/dbraw/zinc/97/94/51/631979451.db2.gz LLZKHVSRTIVZEZ-MNOVXSKESA-N 2 0 233.356 -0.796 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)C[NH3+] ZINC000309244073 633874199 /nfs/dbraw/zinc/87/41/99/633874199.db2.gz LLZKHVSRTIVZEZ-QWRGUYRKSA-N 2 0 233.356 -0.796 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)C[NH3+] ZINC000309244074 631980314 /nfs/dbraw/zinc/98/03/14/631980314.db2.gz LLZKHVSRTIVZEZ-WDEREUQCSA-N 2 0 233.356 -0.796 20 0 BBADRP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309247960 410634155 /nfs/dbraw/zinc/63/41/55/410634155.db2.gz CWYDOSMPFJOHOG-LOKLDPHHSA-N 2 0 211.309 -0.306 20 0 BBADRP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309247961 410634571 /nfs/dbraw/zinc/63/45/71/410634571.db2.gz CWYDOSMPFJOHOG-QCBRBAQYSA-N 2 0 211.309 -0.306 20 0 BBADRP CC(C)(C[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000309248929 410634579 /nfs/dbraw/zinc/63/45/79/410634579.db2.gz DGLFNYIMJNFUMX-UHFFFAOYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)([NH3+])CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309254210 410668296 /nfs/dbraw/zinc/66/82/96/410668296.db2.gz GABKAVSXQUBRDK-MRVPVSSYSA-N 2 0 215.297 -0.700 20 0 BBADRP CC(C)([NH3+])CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309254211 410668358 /nfs/dbraw/zinc/66/83/58/410668358.db2.gz GABKAVSXQUBRDK-QMMMGPOBSA-N 2 0 215.297 -0.700 20 0 BBADRP C[NH2+]CCN(C)C[C@@H](O)C[N@H+](C)CCOC ZINC000309260631 633876463 /nfs/dbraw/zinc/87/64/63/633876463.db2.gz PCTXDJNRNWXHFR-LLVKDONJSA-N 2 0 233.356 -0.923 20 0 BBADRP C[NH2+]CCN(C)C[C@H](O)C[N@H+](C)CCOC ZINC000309260632 631982779 /nfs/dbraw/zinc/98/27/79/631982779.db2.gz PCTXDJNRNWXHFR-NSHDSACASA-N 2 0 233.356 -0.923 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000309260881 350243879 /nfs/dbraw/zinc/24/38/79/350243879.db2.gz HZDIFRQZGITOCP-SFYZADRCSA-N 2 0 215.297 -0.654 20 0 BBADRP CC(C)([NH3+])CNC(=O)COC1(C)C[NH2+]C1 ZINC000309260896 410668587 /nfs/dbraw/zinc/66/85/87/410668587.db2.gz IALMATBKHKKLAS-UHFFFAOYSA-N 2 0 215.297 -0.782 20 0 BBADRP COC[C@@]1(C(=O)NCC[NH+](C)C)CC[NH2+]C1 ZINC000309263468 323336660 /nfs/dbraw/zinc/33/66/60/323336660.db2.gz QQWITOHIOXGXIP-LLVKDONJSA-N 2 0 229.324 -0.710 20 0 BBADRP COC[C@]1(C(=O)NCC[NH+](C)C)CC[NH2+]C1 ZINC000309263470 323081997 /nfs/dbraw/zinc/08/19/97/323081997.db2.gz QQWITOHIOXGXIP-NSHDSACASA-N 2 0 229.324 -0.710 20 0 BBADRP CC(C)([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000309265376 410691922 /nfs/dbraw/zinc/69/19/22/410691922.db2.gz JHOUZDCUIFVPTD-MRVPVSSYSA-N 2 0 211.309 -0.018 20 0 BBADRP CC(C)([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000309265377 410691882 /nfs/dbraw/zinc/69/18/82/410691882.db2.gz JHOUZDCUIFVPTD-QMMMGPOBSA-N 2 0 211.309 -0.018 20 0 BBADRP CC[C@H](CO)[NH2+]C[C@@H](O)CN(C)CCOC ZINC000309267573 633878976 /nfs/dbraw/zinc/87/89/76/633878976.db2.gz QLUUHQCQLKMWKB-GHMZBOCLSA-N 2 0 234.340 -0.714 20 0 BBADRP COC[C@@]1(C(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000309267914 323337321 /nfs/dbraw/zinc/33/73/21/323337321.db2.gz RLYBEEHFCCLOMB-LLVKDONJSA-N 2 0 227.308 -0.956 20 0 BBADRP COC[C@]1(C(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000309267915 323337382 /nfs/dbraw/zinc/33/73/82/323337382.db2.gz RLYBEEHFCCLOMB-NSHDSACASA-N 2 0 227.308 -0.956 20 0 BBADRP [NH3+]CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000309270593 347012596 /nfs/dbraw/zinc/01/25/96/347012596.db2.gz CZGFZALRXKWQMA-SECBINFHSA-N 2 0 215.297 -0.780 20 0 BBADRP [NH3+]CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000309270595 350248581 /nfs/dbraw/zinc/24/85/81/350248581.db2.gz CZGFZALRXKWQMA-VIFPVBQESA-N 2 0 215.297 -0.780 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN(C)CCOCCO ZINC000309270715 350248453 /nfs/dbraw/zinc/24/84/53/350248453.db2.gz QZSWEMUUDAPUMN-LLVKDONJSA-N 2 0 234.340 -0.760 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN(C)CCOCCO ZINC000309270716 350248541 /nfs/dbraw/zinc/24/85/41/350248541.db2.gz QZSWEMUUDAPUMN-NSHDSACASA-N 2 0 234.340 -0.760 20 0 BBADRP CC(C)(C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000309272225 350248118 /nfs/dbraw/zinc/24/81/18/350248118.db2.gz LGHSIARHVRVTPK-UHFFFAOYSA-N 2 0 215.297 -0.782 20 0 BBADRP CN(C[C@H](O)C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000309273809 385508414 /nfs/dbraw/zinc/50/84/14/385508414.db2.gz SKVFCUXVSLYLRX-RYUDHWBXSA-N 2 0 228.336 -0.102 20 0 BBADRP [NH3+]CCN(CCO)CCC1CC[NH2+]CC1 ZINC000309273949 350253840 /nfs/dbraw/zinc/25/38/40/350253840.db2.gz DLKIHMRIGLZBCQ-UHFFFAOYSA-N 2 0 215.341 -0.371 20 0 BBADRP [NH3+]CCOCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000309274111 410701476 /nfs/dbraw/zinc/70/14/76/410701476.db2.gz DOTQLRITZUGKPN-SECBINFHSA-N 2 0 215.297 -0.699 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000309276531 350252032 /nfs/dbraw/zinc/25/20/32/350252032.db2.gz MHRJQPAETRVLCN-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000309276538 350252446 /nfs/dbraw/zinc/25/24/46/350252446.db2.gz MHRJQPAETRVLCN-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309277568 350252163 /nfs/dbraw/zinc/25/21/63/350252163.db2.gz MMHSLFASYKCYRH-BDAKNGLRSA-N 2 0 211.309 -0.208 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309277573 350252085 /nfs/dbraw/zinc/25/20/85/350252085.db2.gz MMHSLFASYKCYRH-DTWKUNHWSA-N 2 0 211.309 -0.208 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309277578 350252473 /nfs/dbraw/zinc/25/24/73/350252473.db2.gz MMHSLFASYKCYRH-IUCAKERBSA-N 2 0 211.309 -0.208 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309277583 350252441 /nfs/dbraw/zinc/25/24/41/350252441.db2.gz MMHSLFASYKCYRH-RKDXNWHRSA-N 2 0 211.309 -0.208 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309285020 323340422 /nfs/dbraw/zinc/34/04/22/323340422.db2.gz GJINYADTDZEQAC-KXUCPTDWSA-N 2 0 211.309 -0.353 20 0 BBADRP CCN(CC[NH3+])C[C@H](O)C[N@H+](C)CCOC ZINC000309289974 631994765 /nfs/dbraw/zinc/99/47/65/631994765.db2.gz VOCVYGVCCQNTBQ-LLVKDONJSA-N 2 0 233.356 -0.794 20 0 BBADRP CCN(CC[NH3+])C[C@@H](O)C[N@H+](C)CCOC ZINC000309289976 632893511 /nfs/dbraw/zinc/89/35/11/632893511.db2.gz VOCVYGVCCQNTBQ-NSHDSACASA-N 2 0 233.356 -0.794 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1COCCN1 ZINC000309292998 385513167 /nfs/dbraw/zinc/51/31/67/385513167.db2.gz QRLVWGPQNZETTR-BDAKNGLRSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1COCCN1 ZINC000309292999 385513209 /nfs/dbraw/zinc/51/32/09/385513209.db2.gz QRLVWGPQNZETTR-DTWKUNHWSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1COCCN1 ZINC000309293000 385513315 /nfs/dbraw/zinc/51/33/15/385513315.db2.gz QRLVWGPQNZETTR-IUCAKERBSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1COCCN1 ZINC000309293001 385514515 /nfs/dbraw/zinc/51/45/15/385514515.db2.gz QRLVWGPQNZETTR-RKDXNWHRSA-N 2 0 215.297 -0.926 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[NH+](C)CC1 ZINC000309294927 350270136 /nfs/dbraw/zinc/27/01/36/350270136.db2.gz WTCMZSYKQPMWLX-GFCCVEGCSA-N 2 0 229.368 -0.064 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CCC[NH+](C)CC1 ZINC000309294928 350269737 /nfs/dbraw/zinc/26/97/37/350269737.db2.gz WTCMZSYKQPMWLX-LBPRGKRZSA-N 2 0 229.368 -0.064 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309297890 350269790 /nfs/dbraw/zinc/26/97/90/350269790.db2.gz SARLFKJSXUMFTO-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000309297891 350270178 /nfs/dbraw/zinc/27/01/78/350270178.db2.gz SARLFKJSXUMFTO-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000309301552 188167140 /nfs/dbraw/zinc/16/71/40/188167140.db2.gz UERCTUBKXAMIRI-GZMMTYOYSA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000309301554 385526177 /nfs/dbraw/zinc/52/61/77/385526177.db2.gz UERCTUBKXAMIRI-KCJUWKMLSA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000309301556 385526008 /nfs/dbraw/zinc/52/60/08/385526008.db2.gz UERCTUBKXAMIRI-KWQFWETISA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000309301558 385525266 /nfs/dbraw/zinc/52/52/66/385525266.db2.gz UERCTUBKXAMIRI-LDYMZIIASA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309311785 350275440 /nfs/dbraw/zinc/27/54/40/350275440.db2.gz XFMJYAQTKIYLFL-LLVKDONJSA-N 2 0 211.309 -0.064 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000309311786 350275230 /nfs/dbraw/zinc/27/52/30/350275230.db2.gz XFMJYAQTKIYLFL-NSHDSACASA-N 2 0 211.309 -0.064 20 0 BBADRP CC(C)([NH3+])CCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309314157 410822130 /nfs/dbraw/zinc/82/21/30/410822130.db2.gz YDZZEZQRIJNEJG-MBTKJCJQSA-N 2 0 211.309 -0.162 20 0 BBADRP CC(C)(C[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309324637 385285710 /nfs/dbraw/zinc/28/57/10/385285710.db2.gz HUWUCXINKFCREH-DTORHVGOSA-N 2 0 211.309 -0.351 20 0 BBADRP [NH3+]CC1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000309337727 411101887 /nfs/dbraw/zinc/10/18/87/411101887.db2.gz AYGWYPJKJHEDHX-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cn[nH]c1 ZINC000309345256 411106914 /nfs/dbraw/zinc/10/69/14/411106914.db2.gz YPWRHHDEOPPXQE-UHFFFAOYSA-N 2 0 223.324 -0.253 20 0 BBADRP c1ncn(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000309357925 633901119 /nfs/dbraw/zinc/90/11/19/633901119.db2.gz NQNYZCOTPHXNDQ-WDEREUQCSA-N 2 0 221.308 -0.181 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000309358171 350351630 /nfs/dbraw/zinc/35/16/30/350351630.db2.gz AAMGARJUGVXFKS-XKNYDFJKSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC12C[NH2+]C2 ZINC000309360417 385552257 /nfs/dbraw/zinc/55/22/57/385552257.db2.gz AKFKHXJKUTXPPE-HLTSFMKQSA-N 2 0 209.293 -0.456 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC12C[NH2+]C2 ZINC000309360418 385553013 /nfs/dbraw/zinc/55/30/13/385553013.db2.gz AKFKHXJKUTXPPE-HRDYMLBCSA-N 2 0 209.293 -0.456 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC12C[NH2+]C2 ZINC000309360419 385552185 /nfs/dbraw/zinc/55/21/85/385552185.db2.gz AKFKHXJKUTXPPE-IWSPIJDZSA-N 2 0 209.293 -0.456 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC12C[NH2+]C2 ZINC000309360420 176494279 /nfs/dbraw/zinc/49/42/79/176494279.db2.gz AKFKHXJKUTXPPE-VGMNWLOBSA-N 2 0 209.293 -0.456 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309361242 350352307 /nfs/dbraw/zinc/35/23/07/350352307.db2.gz ALFBLYOIIGBLKO-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309361244 350352194 /nfs/dbraw/zinc/35/21/94/350352194.db2.gz ALFBLYOIIGBLKO-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)COCC[NH3+] ZINC000309361294 411107740 /nfs/dbraw/zinc/10/77/40/411107740.db2.gz ALSJDBPQVXZWTG-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)COCC[NH3+] ZINC000309361296 410925716 /nfs/dbraw/zinc/92/57/16/410925716.db2.gz ALSJDBPQVXZWTG-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309362181 537866451 /nfs/dbraw/zinc/86/64/51/537866451.db2.gz APPKJZNAXBLZGD-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309362183 537866062 /nfs/dbraw/zinc/86/60/62/537866062.db2.gz APPKJZNAXBLZGD-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309362185 537865808 /nfs/dbraw/zinc/86/58/08/537865808.db2.gz APPKJZNAXBLZGD-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309362188 537865709 /nfs/dbraw/zinc/86/57/09/537865709.db2.gz APPKJZNAXBLZGD-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])COC ZINC000309362991 350356770 /nfs/dbraw/zinc/35/67/70/350356770.db2.gz ATMVXTSELOPGLT-QMMMGPOBSA-N 2 0 217.313 -0.406 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000309362993 347041637 /nfs/dbraw/zinc/04/16/37/347041637.db2.gz ATSOSTZMTNWHLT-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000309362994 350356704 /nfs/dbraw/zinc/35/67/04/350356704.db2.gz ATSOSTZMTNWHLT-DTWKUNHWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000309362995 350356691 /nfs/dbraw/zinc/35/66/91/350356691.db2.gz ATSOSTZMTNWHLT-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000309362996 350356362 /nfs/dbraw/zinc/35/63/62/350356362.db2.gz ATSOSTZMTNWHLT-RKDXNWHRSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[NH2+]CCCNC(=O)C[C@H](C[NH3+])OC ZINC000309366408 350354445 /nfs/dbraw/zinc/35/44/45/350354445.db2.gz BHUWVSCYJSZEEQ-SECBINFHSA-N 2 0 217.313 -0.534 20 0 BBADRP CC[NH2+]CCCNC(=O)C[C@@H](C[NH3+])OC ZINC000309366410 350354145 /nfs/dbraw/zinc/35/41/45/350354145.db2.gz BHUWVSCYJSZEEQ-VIFPVBQESA-N 2 0 217.313 -0.534 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309367925 411108119 /nfs/dbraw/zinc/10/81/19/411108119.db2.gz BMYHJVBNTCXCKT-GENCIFFESA-N 2 0 209.293 -0.600 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000309367936 350354507 /nfs/dbraw/zinc/35/45/07/350354507.db2.gz BNCQFRALKRMHQY-HRDYMLBCSA-N 2 0 215.297 -0.926 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000309367938 350354534 /nfs/dbraw/zinc/35/45/34/350354534.db2.gz BNCQFRALKRMHQY-XHNCKOQMSA-N 2 0 215.297 -0.926 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)COCC[NH3+] ZINC000309367969 411108198 /nfs/dbraw/zinc/10/81/98/411108198.db2.gz BNWGAXWPWQNPBQ-UHFFFAOYSA-N 2 0 217.313 -0.595 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000309370541 323346148 /nfs/dbraw/zinc/34/61/48/323346148.db2.gz BZIJMLISQPHQPL-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000309370542 323345826 /nfs/dbraw/zinc/34/58/26/323345826.db2.gz BZIJMLISQPHQPL-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309370543 350355363 /nfs/dbraw/zinc/35/53/63/350355363.db2.gz BZIJMLISQPHQPL-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309370544 411107420 /nfs/dbraw/zinc/10/74/20/411107420.db2.gz BZIJMLISQPHQPL-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309371221 350355176 /nfs/dbraw/zinc/35/51/76/350355176.db2.gz BZIJMLISQPHQPL-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309371222 411114078 /nfs/dbraw/zinc/11/40/78/411114078.db2.gz BZIJMLISQPHQPL-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000309374950 350362056 /nfs/dbraw/zinc/36/20/56/350362056.db2.gz CMJWPHIZZWSIOS-MRVPVSSYSA-N 2 0 215.297 -0.652 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000309374953 347043973 /nfs/dbraw/zinc/04/39/73/347043973.db2.gz CMJWPHIZZWSIOS-QMMMGPOBSA-N 2 0 215.297 -0.652 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309375033 411114134 /nfs/dbraw/zinc/11/41/34/411114134.db2.gz CNMDQNKMJOLXEY-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000309375037 410927790 /nfs/dbraw/zinc/92/77/90/410927790.db2.gz CNMDQNKMJOLXEY-DTWKUNHWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000309375040 411114059 /nfs/dbraw/zinc/11/40/59/411114059.db2.gz CNMDQNKMJOLXEY-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309375044 411114090 /nfs/dbraw/zinc/11/40/90/411114090.db2.gz CNMDQNKMJOLXEY-RKDXNWHRSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309378101 350360595 /nfs/dbraw/zinc/36/05/95/350360595.db2.gz CXYVBXRQQNORKW-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000309378104 350360274 /nfs/dbraw/zinc/36/02/74/350360274.db2.gz CXYVBXRQQNORKW-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000309379028 350361503 /nfs/dbraw/zinc/36/15/03/350361503.db2.gz DBHNJRJUEQWIHB-FXPVBKGRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000309379032 350361669 /nfs/dbraw/zinc/36/16/69/350361669.db2.gz DBHNJRJUEQWIHB-KKZNHRDASA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000309379035 350361149 /nfs/dbraw/zinc/36/11/49/350361149.db2.gz DBHNJRJUEQWIHB-WCABBAIRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000309379037 350361490 /nfs/dbraw/zinc/36/14/90/350361490.db2.gz DBHNJRJUEQWIHB-YWVKMMECSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[NH2+]1 ZINC000309379576 632025757 /nfs/dbraw/zinc/02/57/57/632025757.db2.gz GIRPGVUVARWBNU-NEPJUHHUSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[NH2+]1 ZINC000309379582 632026221 /nfs/dbraw/zinc/02/62/21/632026221.db2.gz GIRPGVUVARWBNU-NWDGAFQWSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[NH2+]1 ZINC000309379586 632992018 /nfs/dbraw/zinc/99/20/18/632992018.db2.gz GIRPGVUVARWBNU-RYUDHWBXSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[NH2+]1 ZINC000309379591 632992152 /nfs/dbraw/zinc/99/21/52/632992152.db2.gz GIRPGVUVARWBNU-VXGBXAGGSA-N 2 0 227.352 -0.263 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000309382887 350366707 /nfs/dbraw/zinc/36/67/07/350366707.db2.gz DPJJRZAWEJMZNQ-PSASIEDQSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000309382890 350366820 /nfs/dbraw/zinc/36/68/20/350366820.db2.gz DPJJRZAWEJMZNQ-SCZZXKLOSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000309382892 350366344 /nfs/dbraw/zinc/36/63/44/350366344.db2.gz DPJJRZAWEJMZNQ-WCBMZHEXSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000309382894 350366527 /nfs/dbraw/zinc/36/65/27/350366527.db2.gz DPJJRZAWEJMZNQ-WPRPVWTQSA-N 2 0 217.313 -0.550 20 0 BBADRP CNS(=O)(=O)CCC[NH2+]CC1([NH3+])CCC1 ZINC000309382952 385556718 /nfs/dbraw/zinc/55/67/18/385556718.db2.gz DQMQHDSFUGOZBH-UHFFFAOYSA-N 2 0 235.353 -0.603 20 0 BBADRP [NH3+]CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000309384236 323365461 /nfs/dbraw/zinc/36/54/61/323365461.db2.gz AGKGLSBLEAASRN-JTQLQIEISA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000309384238 323365103 /nfs/dbraw/zinc/36/51/03/323365103.db2.gz AGKGLSBLEAASRN-SNVBAGLBSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000309385552 633906286 /nfs/dbraw/zinc/90/62/86/633906286.db2.gz FAQLBVJPELJSEE-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000309385556 633004624 /nfs/dbraw/zinc/00/46/24/633004624.db2.gz FAQLBVJPELJSEE-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP C[N@H+](C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000309388296 173085343 /nfs/dbraw/zinc/08/53/43/173085343.db2.gz HGDRGYFSVFDYIS-GFCCVEGCSA-N 2 0 227.352 -0.311 20 0 BBADRP C[N@H+](C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000309388300 173084550 /nfs/dbraw/zinc/08/45/50/173084550.db2.gz HGDRGYFSVFDYIS-LBPRGKRZSA-N 2 0 227.352 -0.311 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000309388914 350366741 /nfs/dbraw/zinc/36/67/41/350366741.db2.gz FJYOZONKRQGULC-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309388917 350366597 /nfs/dbraw/zinc/36/65/97/350366597.db2.gz FJYOZONKRQGULC-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309388920 350366677 /nfs/dbraw/zinc/36/66/77/350366677.db2.gz FJYOZONKRQGULC-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000309388923 350366849 /nfs/dbraw/zinc/36/68/49/350366849.db2.gz FJYOZONKRQGULC-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309389004 385559708 /nfs/dbraw/zinc/55/97/08/385559708.db2.gz FLAMNATWFXBCIY-BDAKNGLRSA-N 2 0 215.297 -0.844 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309389007 385560118 /nfs/dbraw/zinc/56/01/18/385560118.db2.gz FLAMNATWFXBCIY-IUCAKERBSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309389100 633005785 /nfs/dbraw/zinc/00/57/85/633005785.db2.gz FMMHEJNXWJPXQN-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309389106 632022476 /nfs/dbraw/zinc/02/24/76/632022476.db2.gz FMMHEJNXWJPXQN-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP [NH3+][C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309389397 633005813 /nfs/dbraw/zinc/00/58/13/633005813.db2.gz HJYZNCFUSCJDHJ-NEPJUHHUSA-N 2 0 227.352 -0.134 20 0 BBADRP [NH3+][C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309389398 633005409 /nfs/dbraw/zinc/00/54/09/633005409.db2.gz HJYZNCFUSCJDHJ-NWDGAFQWSA-N 2 0 227.352 -0.134 20 0 BBADRP [NH3+][C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309389401 633005983 /nfs/dbraw/zinc/00/59/83/633005983.db2.gz HJYZNCFUSCJDHJ-RYUDHWBXSA-N 2 0 227.352 -0.134 20 0 BBADRP [NH3+][C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309389402 633005754 /nfs/dbraw/zinc/00/57/54/633005754.db2.gz HJYZNCFUSCJDHJ-VXGBXAGGSA-N 2 0 227.352 -0.134 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000309391547 350366382 /nfs/dbraw/zinc/36/63/82/350366382.db2.gz FYZHHCBNNQQVPT-BQBZGAKWSA-N 2 0 221.251 -0.211 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000309391549 350366955 /nfs/dbraw/zinc/36/69/55/350366955.db2.gz FYZHHCBNNQQVPT-NKWVEPMBSA-N 2 0 221.251 -0.211 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000309391550 323371204 /nfs/dbraw/zinc/37/12/04/323371204.db2.gz FYZHHCBNNQQVPT-RNFRBKRXSA-N 2 0 221.251 -0.211 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000309391551 323371182 /nfs/dbraw/zinc/37/11/82/323371182.db2.gz FYZHHCBNNQQVPT-RQJHMYQMSA-N 2 0 221.251 -0.211 20 0 BBADRP C[C@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000309392249 411162797 /nfs/dbraw/zinc/16/27/97/411162797.db2.gz GAYHKPWAEJPBLD-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000309392250 411162904 /nfs/dbraw/zinc/16/29/04/411162904.db2.gz GAYHKPWAEJPBLD-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000309392252 410930658 /nfs/dbraw/zinc/93/06/58/410930658.db2.gz GAYHKPWAEJPBLD-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000309392253 410931084 /nfs/dbraw/zinc/93/10/84/410931084.db2.gz GAYHKPWAEJPBLD-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000309393758 411163233 /nfs/dbraw/zinc/16/32/33/411163233.db2.gz GGDWOXCABGKSCT-BQBZGAKWSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000309393759 411163254 /nfs/dbraw/zinc/16/32/54/411163254.db2.gz GGDWOXCABGKSCT-NKWVEPMBSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000309393760 411163484 /nfs/dbraw/zinc/16/34/84/411163484.db2.gz GGDWOXCABGKSCT-RNFRBKRXSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000309393761 411163310 /nfs/dbraw/zinc/16/33/10/411163310.db2.gz GGDWOXCABGKSCT-RQJHMYQMSA-N 2 0 221.251 -0.305 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000309397126 347047045 /nfs/dbraw/zinc/04/70/45/347047045.db2.gz GRSQPBJIVWPXIO-SECBINFHSA-N 2 0 217.313 -0.678 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H]([NH3+])C(C)C ZINC000309397127 350367728 /nfs/dbraw/zinc/36/77/28/350367728.db2.gz GRSQPBJIVWPXIO-VIFPVBQESA-N 2 0 217.313 -0.678 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000309397227 262726138 /nfs/dbraw/zinc/72/61/38/262726138.db2.gz GUWANRISDFYAFF-BDAKNGLRSA-N 2 0 231.365 -0.113 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000309397228 350367655 /nfs/dbraw/zinc/36/76/55/350367655.db2.gz GUWANRISDFYAFF-DTWKUNHWSA-N 2 0 231.365 -0.113 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000309397231 350367356 /nfs/dbraw/zinc/36/73/56/350367356.db2.gz GUWANRISDFYAFF-RKDXNWHRSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000309399845 350368427 /nfs/dbraw/zinc/36/84/27/350368427.db2.gz HFMMVJIHWKFLLT-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000309399848 350368429 /nfs/dbraw/zinc/36/84/29/350368429.db2.gz HFMMVJIHWKFLLT-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000309402483 633017582 /nfs/dbraw/zinc/01/75/82/633017582.db2.gz HNEQWSUQIXEXRL-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000309402484 633017827 /nfs/dbraw/zinc/01/78/27/633017827.db2.gz HNEQWSUQIXEXRL-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000309402560 385571009 /nfs/dbraw/zinc/57/10/09/385571009.db2.gz HQDNNSXEFCMZJR-BQBZGAKWSA-N 2 0 221.251 -0.163 20 0 BBADRP C[C@@H]([NH3+])CCNC(=O)[C@H]1CC(F)(F)CN1 ZINC000309402564 385571154 /nfs/dbraw/zinc/57/11/54/385571154.db2.gz HQDNNSXEFCMZJR-RNFRBKRXSA-N 2 0 221.251 -0.163 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000309403614 173328202 /nfs/dbraw/zinc/32/82/02/173328202.db2.gz HSTJEXSWOYZRQG-AEJSXWLSSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000309403616 173328230 /nfs/dbraw/zinc/32/82/30/173328230.db2.gz HSTJEXSWOYZRQG-GUBZILKMSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000309403618 173328232 /nfs/dbraw/zinc/32/82/32/173328232.db2.gz HSTJEXSWOYZRQG-IVZWLZJFSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000309403619 173327990 /nfs/dbraw/zinc/32/79/90/173327990.db2.gz HSTJEXSWOYZRQG-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309403628 385571551 /nfs/dbraw/zinc/57/15/51/385571551.db2.gz HSYZOMPUQUVMBA-QCLAVDOMSA-N 2 0 211.309 -0.306 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309403630 385570988 /nfs/dbraw/zinc/57/09/88/385570988.db2.gz HSYZOMPUQUVMBA-RGOKHQFPSA-N 2 0 211.309 -0.306 20 0 BBADRP C[C@H](C[NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000309403648 350371789 /nfs/dbraw/zinc/37/17/89/350371789.db2.gz HTQOHLMXLFSTAU-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](C[NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000309403650 350371665 /nfs/dbraw/zinc/37/16/65/350371665.db2.gz HTQOHLMXLFSTAU-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000309403652 350371427 /nfs/dbraw/zinc/37/14/27/350371427.db2.gz HTQOHLMXLFSTAU-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000309403654 350371491 /nfs/dbraw/zinc/37/14/91/350371491.db2.gz HTQOHLMXLFSTAU-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309404619 323381580 /nfs/dbraw/zinc/38/15/80/323381580.db2.gz HUWGFUANEQOWKY-UYXSQOIJSA-N 2 0 229.349 -0.599 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309404621 347056593 /nfs/dbraw/zinc/05/65/93/347056593.db2.gz HUWGFUANEQOWKY-XAVMHZPKSA-N 2 0 229.349 -0.599 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)CCOC1C[NH2+]C1 ZINC000309405633 259343483 /nfs/dbraw/zinc/34/34/83/259343483.db2.gz HXKGSCBTWKEKAH-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000309412961 350375773 /nfs/dbraw/zinc/37/57/73/350375773.db2.gz IUKLJCLOIFLKMN-FXPVBKGRSA-N 2 0 211.309 -0.303 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000309412962 350375793 /nfs/dbraw/zinc/37/57/93/350375793.db2.gz IUKLJCLOIFLKMN-KKZNHRDASA-N 2 0 211.309 -0.303 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000309412963 347057578 /nfs/dbraw/zinc/05/75/78/347057578.db2.gz IUKLJCLOIFLKMN-WCABBAIRSA-N 2 0 211.309 -0.303 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000309412965 350376173 /nfs/dbraw/zinc/37/61/73/350376173.db2.gz IUKLJCLOIFLKMN-YWVKMMECSA-N 2 0 211.309 -0.303 20 0 BBADRP C[C@]1(C(=O)NCC(F)(F)CN)CCC[NH2+]1 ZINC000309412986 350376419 /nfs/dbraw/zinc/37/64/19/350376419.db2.gz IVAYYTSBBMECBF-MRVPVSSYSA-N 2 0 221.251 -0.161 20 0 BBADRP C[C@@]1(C(=O)NCC(F)(F)CN)CCC[NH2+]1 ZINC000309412989 350376295 /nfs/dbraw/zinc/37/62/95/350376295.db2.gz IVAYYTSBBMECBF-QMMMGPOBSA-N 2 0 221.251 -0.161 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000309413625 633034324 /nfs/dbraw/zinc/03/43/24/633034324.db2.gz KNAKNIIAFAESML-NEPJUHHUSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@H]1C[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000309413626 632049688 /nfs/dbraw/zinc/04/96/88/632049688.db2.gz KNAKNIIAFAESML-NWDGAFQWSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@H]1C[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000309413627 633032762 /nfs/dbraw/zinc/03/27/62/633032762.db2.gz KNAKNIIAFAESML-RYUDHWBXSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000309413628 632050005 /nfs/dbraw/zinc/05/00/05/632050005.db2.gz KNAKNIIAFAESML-VXGBXAGGSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(CCOCC[NH3+])CCO1 ZINC000309415136 411307184 /nfs/dbraw/zinc/30/71/84/411307184.db2.gz JBQLTBSNQRAXSC-NXEZZACHSA-N 2 0 217.313 -0.990 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(CCOCC[NH3+])CCO1 ZINC000309415138 411307275 /nfs/dbraw/zinc/30/72/75/411307275.db2.gz JBQLTBSNQRAXSC-UWVGGRQHSA-N 2 0 217.313 -0.990 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(CCOCC[NH3+])CCO1 ZINC000309415139 411307214 /nfs/dbraw/zinc/30/72/14/411307214.db2.gz JBQLTBSNQRAXSC-VHSXEESVSA-N 2 0 217.313 -0.990 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(CCOCC[NH3+])CCO1 ZINC000309415140 411306824 /nfs/dbraw/zinc/30/68/24/411306824.db2.gz JBQLTBSNQRAXSC-ZJUUUORDSA-N 2 0 217.313 -0.990 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309417854 385575162 /nfs/dbraw/zinc/57/51/62/385575162.db2.gz JMGOVFWDPMXFCC-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309417855 385575323 /nfs/dbraw/zinc/57/53/23/385575323.db2.gz JMGOVFWDPMXFCC-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309417856 385574607 /nfs/dbraw/zinc/57/46/07/385574607.db2.gz JMGOVFWDPMXFCC-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309417857 385574991 /nfs/dbraw/zinc/57/49/91/385574991.db2.gz JMGOVFWDPMXFCC-UTLUCORTSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000309417889 171196162 /nfs/dbraw/zinc/19/61/62/171196162.db2.gz JMVSKXNKAMVDCC-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP CC[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000309417891 385574705 /nfs/dbraw/zinc/57/47/05/385574705.db2.gz JMVSKXNKAMVDCC-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP CC[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000309417893 171195751 /nfs/dbraw/zinc/19/57/51/171195751.db2.gz JMVSKXNKAMVDCC-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP CC[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000309417895 385574919 /nfs/dbraw/zinc/57/49/19/385574919.db2.gz JMVSKXNKAMVDCC-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C[NH3+])OC ZINC000309419981 347059911 /nfs/dbraw/zinc/05/99/11/347059911.db2.gz JSVZIPZZUVJOTK-BDAKNGLRSA-N 2 0 217.313 -0.406 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C[NH3+])OC ZINC000309419983 347059571 /nfs/dbraw/zinc/05/95/71/347059571.db2.gz JSVZIPZZUVJOTK-DTWKUNHWSA-N 2 0 217.313 -0.406 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C[NH3+])OC ZINC000309419986 347059647 /nfs/dbraw/zinc/05/96/47/347059647.db2.gz JSVZIPZZUVJOTK-IUCAKERBSA-N 2 0 217.313 -0.406 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C[NH3+])OC ZINC000309419989 347059902 /nfs/dbraw/zinc/05/99/02/347059902.db2.gz JSVZIPZZUVJOTK-RKDXNWHRSA-N 2 0 217.313 -0.406 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000309421243 488064355 /nfs/dbraw/zinc/06/43/55/488064355.db2.gz JWQUYLMSRHAKLX-QMMMGPOBSA-N 2 0 217.313 -0.597 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])COC ZINC000309422133 350374721 /nfs/dbraw/zinc/37/47/21/350374721.db2.gz JYQHCUBXTOKTCE-QMMMGPOBSA-N 2 0 217.313 -0.406 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000309424629 633053899 /nfs/dbraw/zinc/05/38/99/633053899.db2.gz KFFNCSIIOPBPOF-BQBZGAKWSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000309424633 633053608 /nfs/dbraw/zinc/05/36/08/633053608.db2.gz KFFNCSIIOPBPOF-NKWVEPMBSA-N 2 0 221.251 -0.305 20 0 BBADRP [NH3+]C1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000309424750 633053412 /nfs/dbraw/zinc/05/34/12/633053412.db2.gz LRZWOPGJCYMDDJ-GFCCVEGCSA-N 2 0 227.352 -0.134 20 0 BBADRP [NH3+]C1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000309424759 633053903 /nfs/dbraw/zinc/05/39/03/633053903.db2.gz LRZWOPGJCYMDDJ-LBPRGKRZSA-N 2 0 227.352 -0.134 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)CC[NH3+])C1 ZINC000309427827 323403053 /nfs/dbraw/zinc/40/30/53/323403053.db2.gz KMFVORZRVMXUQF-HRDYMLBCSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000309427829 387668208 /nfs/dbraw/zinc/66/82/08/387668208.db2.gz KMFVORZRVMXUQF-XHNCKOQMSA-N 2 0 215.297 -0.783 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309438714 633074893 /nfs/dbraw/zinc/07/48/93/633074893.db2.gz NPCYKLVBDBGWQG-NEPJUHHUSA-N 2 0 227.352 -0.263 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309438716 633074280 /nfs/dbraw/zinc/07/42/80/633074280.db2.gz NPCYKLVBDBGWQG-NWDGAFQWSA-N 2 0 227.352 -0.263 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309439067 633073169 /nfs/dbraw/zinc/07/31/69/633073169.db2.gz NPCYKLVBDBGWQG-RYUDHWBXSA-N 2 0 227.352 -0.263 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309439068 632047778 /nfs/dbraw/zinc/04/77/78/632047778.db2.gz NPCYKLVBDBGWQG-VXGBXAGGSA-N 2 0 227.352 -0.263 20 0 BBADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000309440246 633074669 /nfs/dbraw/zinc/07/46/69/633074669.db2.gz NXLGWLZYLKVZBE-AXFHLTTASA-N 2 0 223.320 -0.242 20 0 BBADRP C[C@]1(C(=O)NCC2([NH3+])CCC2)CC[NH2+]C1 ZINC000309443454 385584339 /nfs/dbraw/zinc/58/43/39/385584339.db2.gz KRDBIESMELZEJA-JTQLQIEISA-N 2 0 211.309 -0.016 20 0 BBADRP C[C@@]1(C(=O)NCC2([NH3+])CCC2)CC[NH2+]C1 ZINC000309443467 385584143 /nfs/dbraw/zinc/58/41/43/385584143.db2.gz KRDBIESMELZEJA-SNVBAGLBSA-N 2 0 211.309 -0.016 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000309450041 350499533 /nfs/dbraw/zinc/49/95/33/350499533.db2.gz MHASFTYPNZIFKW-FXBDTBDDSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000309450042 350499520 /nfs/dbraw/zinc/49/95/20/350499520.db2.gz MHASFTYPNZIFKW-HGNGGELXSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000309450043 350499656 /nfs/dbraw/zinc/49/96/56/350499656.db2.gz MHASFTYPNZIFKW-SFGNSQDASA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000309450044 350499998 /nfs/dbraw/zinc/49/99/98/350499998.db2.gz MHASFTYPNZIFKW-UJNFCWOMSA-N 2 0 211.309 -0.162 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000309451565 347064920 /nfs/dbraw/zinc/06/49/20/347064920.db2.gz MRMAQHZOTRYVLG-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000309451566 347065413 /nfs/dbraw/zinc/06/54/13/347065413.db2.gz MRMAQHZOTRYVLG-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000309451567 350500002 /nfs/dbraw/zinc/50/00/02/350500002.db2.gz MRMAQHZOTRYVLG-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000309451569 347064896 /nfs/dbraw/zinc/06/48/96/347064896.db2.gz MRMAQHZOTRYVLG-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000309451639 487558364 /nfs/dbraw/zinc/55/83/64/487558364.db2.gz MSVOUSLBFSFRJT-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000309451641 487558275 /nfs/dbraw/zinc/55/82/75/487558275.db2.gz MSVOUSLBFSFRJT-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309452160 350499637 /nfs/dbraw/zinc/49/96/37/350499637.db2.gz MUDYOSNGIIZSIQ-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309452165 347065539 /nfs/dbraw/zinc/06/55/39/347065539.db2.gz MUDYOSNGIIZSIQ-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309452169 350499514 /nfs/dbraw/zinc/49/95/14/350499514.db2.gz MUDYOSNGIIZSIQ-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309452173 350499420 /nfs/dbraw/zinc/49/94/20/350499420.db2.gz MUDYOSNGIIZSIQ-UTLUCORTSA-N 2 0 211.309 -0.208 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000309454455 410944013 /nfs/dbraw/zinc/94/40/13/410944013.db2.gz NHUSTNGXBBZLSK-CIUDSAMLSA-N 2 0 215.297 -0.654 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309454456 487558457 /nfs/dbraw/zinc/55/84/57/487558457.db2.gz NHUSTNGXBBZLSK-HLTSFMKQSA-N 2 0 215.297 -0.654 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000309454458 487558064 /nfs/dbraw/zinc/55/80/64/487558064.db2.gz NHUSTNGXBBZLSK-VGMNWLOBSA-N 2 0 215.297 -0.654 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000309454459 487558167 /nfs/dbraw/zinc/55/81/67/487558167.db2.gz NHUSTNGXBBZLSK-YIZRAAEISA-N 2 0 215.297 -0.654 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309455627 385588883 /nfs/dbraw/zinc/58/88/83/385588883.db2.gz NOXVESSKIUYYQR-AEJSXWLSSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309455628 385587983 /nfs/dbraw/zinc/58/79/83/385587983.db2.gz NOXVESSKIUYYQR-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309455630 385588053 /nfs/dbraw/zinc/58/80/53/385588053.db2.gz NOXVESSKIUYYQR-GUBZILKMSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309455631 385588064 /nfs/dbraw/zinc/58/80/64/385588064.db2.gz NOXVESSKIUYYQR-UTLUCORTSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309456536 487557808 /nfs/dbraw/zinc/55/78/08/487557808.db2.gz NTUUYVFAQHNZGU-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309456537 487557960 /nfs/dbraw/zinc/55/79/60/487557960.db2.gz NTUUYVFAQHNZGU-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309456538 487558380 /nfs/dbraw/zinc/55/83/80/487558380.db2.gz NTUUYVFAQHNZGU-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309456539 487557936 /nfs/dbraw/zinc/55/79/36/487557936.db2.gz NTUUYVFAQHNZGU-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP CCC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309456613 385588979 /nfs/dbraw/zinc/58/89/79/385588979.db2.gz NVPIMKBYSPXRGD-BDAKNGLRSA-N 2 0 215.297 -0.700 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309456614 169387918 /nfs/dbraw/zinc/38/79/18/169387918.db2.gz NVPIMKBYSPXRGD-DTWKUNHWSA-N 2 0 215.297 -0.700 20 0 BBADRP CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309456615 384203450 /nfs/dbraw/zinc/20/34/50/384203450.db2.gz NVPIMKBYSPXRGD-IUCAKERBSA-N 2 0 215.297 -0.700 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309456616 169387870 /nfs/dbraw/zinc/38/78/70/169387870.db2.gz NVPIMKBYSPXRGD-RKDXNWHRSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@H](CS(C)(=O)=O)N(C)CCOCC[NH3+] ZINC000309458236 385590773 /nfs/dbraw/zinc/59/07/73/385590773.db2.gz OCKVCPPIYKQLAQ-SECBINFHSA-N 2 0 238.353 -0.673 20 0 BBADRP C[C@@H](CS(C)(=O)=O)N(C)CCOCC[NH3+] ZINC000309458237 385589559 /nfs/dbraw/zinc/58/95/59/385589559.db2.gz OCKVCPPIYKQLAQ-VIFPVBQESA-N 2 0 238.353 -0.673 20 0 BBADRP CN(C[C@H](O)C[NH2+]C[C@H](O)C1CC1)C1CC1 ZINC000309458389 347066776 /nfs/dbraw/zinc/06/67/76/347066776.db2.gz RIKPGJHNJRWIOH-NEPJUHHUSA-N 2 0 228.336 -0.198 20 0 BBADRP CN(C[C@@H](O)C[NH2+]C[C@@H](O)C1CC1)C1CC1 ZINC000309458390 347066839 /nfs/dbraw/zinc/06/68/39/347066839.db2.gz RIKPGJHNJRWIOH-NWDGAFQWSA-N 2 0 228.336 -0.198 20 0 BBADRP CN(C[C@@H](O)C[NH2+]C[C@H](O)C1CC1)C1CC1 ZINC000309458391 347067134 /nfs/dbraw/zinc/06/71/34/347067134.db2.gz RIKPGJHNJRWIOH-RYUDHWBXSA-N 2 0 228.336 -0.198 20 0 BBADRP CN(C[C@H](O)C[NH2+]C[C@@H](O)C1CC1)C1CC1 ZINC000309458392 347066687 /nfs/dbraw/zinc/06/66/87/347066687.db2.gz RIKPGJHNJRWIOH-VXGBXAGGSA-N 2 0 228.336 -0.198 20 0 BBADRP CN(CCC[NH3+])C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309460380 411403895 /nfs/dbraw/zinc/40/38/95/411403895.db2.gz OPJDCIJKAVITIX-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP CN(CCC[NH3+])C(=O)C[C@H]1C[NH2+]CCO1 ZINC000309460381 411403595 /nfs/dbraw/zinc/40/35/95/411403595.db2.gz OPJDCIJKAVITIX-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CC[NH2+]C1 ZINC000309463197 633099252 /nfs/dbraw/zinc/09/92/52/633099252.db2.gz PHPAFRIULIXLDX-NXEZZACHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)C[C@H]([NH3+])C1CC1)[C@H]1CC[NH2+]C1 ZINC000309463199 633099384 /nfs/dbraw/zinc/09/93/84/633099384.db2.gz PHPAFRIULIXLDX-UWVGGRQHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CC[NH2+]C1 ZINC000309463201 633098099 /nfs/dbraw/zinc/09/80/99/633098099.db2.gz PHPAFRIULIXLDX-VHSXEESVSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CC[NH2+]C1 ZINC000309463204 633922956 /nfs/dbraw/zinc/92/29/56/633922956.db2.gz PHPAFRIULIXLDX-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000309463221 411496220 /nfs/dbraw/zinc/49/62/20/411496220.db2.gz PHYBGCLOJWQMND-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000309463223 411496239 /nfs/dbraw/zinc/49/62/39/411496239.db2.gz PHYBGCLOJWQMND-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000309463225 411496491 /nfs/dbraw/zinc/49/64/91/411496491.db2.gz PHYBGCLOJWQMND-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000309463227 411496598 /nfs/dbraw/zinc/49/65/98/411496598.db2.gz PHYBGCLOJWQMND-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000309464800 323412371 /nfs/dbraw/zinc/41/23/71/323412371.db2.gz PQEAZCGQOHQVLH-VIFPVBQESA-N 2 0 217.313 -0.536 20 0 BBADRP COCC[NH2+]CC(=O)NCC1([NH3+])CCC1 ZINC000309464845 347069297 /nfs/dbraw/zinc/06/92/97/347069297.db2.gz PRHAKHFPWISGSW-UHFFFAOYSA-N 2 0 215.297 -0.780 20 0 BBADRP C[N@H+](C[C@@H](O)CN1CCC(O)CC1)C1CC1 ZINC000309465789 385595942 /nfs/dbraw/zinc/59/59/42/385595942.db2.gz SSTSRKFBEFAHCL-GFCCVEGCSA-N 2 0 228.336 -0.102 20 0 BBADRP C[N@H+](C[C@H](O)CN1CCC(O)CC1)C1CC1 ZINC000309466139 385594997 /nfs/dbraw/zinc/59/49/97/385594997.db2.gz SSTSRKFBEFAHCL-LBPRGKRZSA-N 2 0 228.336 -0.102 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000309466571 347070041 /nfs/dbraw/zinc/07/00/41/347070041.db2.gz QBMUTUYOAQCUSP-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000309466572 347069929 /nfs/dbraw/zinc/06/99/29/347069929.db2.gz QBMUTUYOAQCUSP-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000309466573 350538621 /nfs/dbraw/zinc/53/86/21/350538621.db2.gz QBMUTUYOAQCUSP-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000309466574 350538549 /nfs/dbraw/zinc/53/85/49/350538549.db2.gz QBMUTUYOAQCUSP-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000309466581 347070006 /nfs/dbraw/zinc/07/00/06/347070006.db2.gz QBWZYOCWVCNJKK-SECBINFHSA-N 2 0 231.365 -0.065 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000309466582 350538994 /nfs/dbraw/zinc/53/89/94/350538994.db2.gz QBWZYOCWVCNJKK-VIFPVBQESA-N 2 0 231.365 -0.065 20 0 BBADRP [NH3+]C[C@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000309467391 632100218 /nfs/dbraw/zinc/10/02/18/632100218.db2.gz TVDFBBNHXOKUBS-NEPJUHHUSA-N 2 0 227.352 -0.134 20 0 BBADRP [NH3+]C[C@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000309468004 633110474 /nfs/dbraw/zinc/11/04/74/633110474.db2.gz TVDFBBNHXOKUBS-VXGBXAGGSA-N 2 0 227.352 -0.134 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000309470615 411496872 /nfs/dbraw/zinc/49/68/72/411496872.db2.gz ALOSTETXFVBGMT-PSASIEDQSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000309470616 411496785 /nfs/dbraw/zinc/49/67/85/411496785.db2.gz ALOSTETXFVBGMT-SCZZXKLOSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000309470617 411496664 /nfs/dbraw/zinc/49/66/64/411496664.db2.gz ALOSTETXFVBGMT-WCBMZHEXSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000309470618 411496853 /nfs/dbraw/zinc/49/68/53/411496853.db2.gz ALOSTETXFVBGMT-WPRPVWTQSA-N 2 0 211.309 -0.147 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000309470899 174859528 /nfs/dbraw/zinc/85/95/28/174859528.db2.gz QXVINIOTPHOEGZ-CIUDSAMLSA-N 2 0 215.297 -0.702 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309470900 385598734 /nfs/dbraw/zinc/59/87/34/385598734.db2.gz QXVINIOTPHOEGZ-HRDYMLBCSA-N 2 0 215.297 -0.702 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309470901 385599274 /nfs/dbraw/zinc/59/92/74/385599274.db2.gz QXVINIOTPHOEGZ-VGMNWLOBSA-N 2 0 215.297 -0.702 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309470902 385599366 /nfs/dbraw/zinc/59/93/66/385599366.db2.gz QXVINIOTPHOEGZ-XHNCKOQMSA-N 2 0 215.297 -0.702 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000309471638 633123147 /nfs/dbraw/zinc/12/31/47/633123147.db2.gz RCMPYGCXUJSJLN-NXEZZACHSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000309471640 633124503 /nfs/dbraw/zinc/12/45/03/633124503.db2.gz RCMPYGCXUJSJLN-UWVGGRQHSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000309471642 633924778 /nfs/dbraw/zinc/92/47/78/633924778.db2.gz RCMPYGCXUJSJLN-VHSXEESVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000309471644 633123851 /nfs/dbraw/zinc/12/38/51/633123851.db2.gz RCMPYGCXUJSJLN-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000309471873 385601031 /nfs/dbraw/zinc/60/10/31/385601031.db2.gz ATUQPTKFNCMSDS-GXSJLCMTSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000309471874 177455108 /nfs/dbraw/zinc/45/51/08/177455108.db2.gz ATUQPTKFNCMSDS-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000309471875 176525776 /nfs/dbraw/zinc/52/57/76/176525776.db2.gz ATUQPTKFNCMSDS-MWLCHTKSSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000309471876 177454723 /nfs/dbraw/zinc/45/47/23/177454723.db2.gz ATUQPTKFNCMSDS-ONGXEEELSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309472915 386012993 /nfs/dbraw/zinc/01/29/93/386012993.db2.gz RIAZEUBXJHXNCR-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309472917 386012159 /nfs/dbraw/zinc/01/21/59/386012159.db2.gz RIAZEUBXJHXNCR-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309472919 385601160 /nfs/dbraw/zinc/60/11/60/385601160.db2.gz RIAZEUBXJHXNCR-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309472921 386012174 /nfs/dbraw/zinc/01/21/74/386012174.db2.gz RIAZEUBXJHXNCR-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000309472961 323082128 /nfs/dbraw/zinc/08/21/28/323082128.db2.gz RJDQGRICTDFQBL-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000309473017 385601347 /nfs/dbraw/zinc/60/13/47/385601347.db2.gz BCCCKZXQAJQVBF-FXPVBKGRSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000309473019 386013310 /nfs/dbraw/zinc/01/33/10/386013310.db2.gz BCCCKZXQAJQVBF-KKZNHRDASA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000309473021 386012373 /nfs/dbraw/zinc/01/23/73/386012373.db2.gz BCCCKZXQAJQVBF-WCABBAIRSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000309473023 385601090 /nfs/dbraw/zinc/60/10/90/385601090.db2.gz BCCCKZXQAJQVBF-YWVKMMECSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309473613 411497224 /nfs/dbraw/zinc/49/72/24/411497224.db2.gz BEXSRLNGHGBWME-AEJSXWLSSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309473615 411497132 /nfs/dbraw/zinc/49/71/32/411497132.db2.gz BEXSRLNGHGBWME-BBBLOLIVSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309473617 411497583 /nfs/dbraw/zinc/49/75/83/411497583.db2.gz BEXSRLNGHGBWME-IVZWLZJFSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309473619 490691817 /nfs/dbraw/zinc/69/18/17/490691817.db2.gz BEXSRLNGHGBWME-OPRDCNLKSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC1CC[NH2+]CC1 ZINC000309473628 385602814 /nfs/dbraw/zinc/60/28/14/385602814.db2.gz BEZUBZXPPAQIAE-UHFFFAOYSA-N 2 0 211.309 -0.146 20 0 BBADRP COC[C@@](C)(CCO)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000309473724 411497457 /nfs/dbraw/zinc/49/74/57/411497457.db2.gz BJFOQOVHERQBGA-GHMZBOCLSA-N 2 0 216.325 -0.027 20 0 BBADRP COC[C@](C)(CCO)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000309473726 411497828 /nfs/dbraw/zinc/49/78/28/411497828.db2.gz BJFOQOVHERQBGA-MNOVXSKESA-N 2 0 216.325 -0.027 20 0 BBADRP COC[C@](C)(CCO)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000309473727 411497844 /nfs/dbraw/zinc/49/78/44/411497844.db2.gz BJFOQOVHERQBGA-QWRGUYRKSA-N 2 0 216.325 -0.027 20 0 BBADRP COC[C@@](C)(CCO)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000309474151 411497139 /nfs/dbraw/zinc/49/71/39/411497139.db2.gz BJFOQOVHERQBGA-WDEREUQCSA-N 2 0 216.325 -0.027 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H](C)[NH3+] ZINC000309474291 385602367 /nfs/dbraw/zinc/60/23/67/385602367.db2.gz ROPFFZGPQLJEII-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H](C)[NH3+] ZINC000309474294 385604010 /nfs/dbraw/zinc/60/40/10/385604010.db2.gz ROPFFZGPQLJEII-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H](C)[NH3+] ZINC000309474298 385604232 /nfs/dbraw/zinc/60/42/32/385604232.db2.gz ROPFFZGPQLJEII-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H](C)[NH3+] ZINC000309474301 385604172 /nfs/dbraw/zinc/60/41/72/385604172.db2.gz ROPFFZGPQLJEII-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000309474369 411497965 /nfs/dbraw/zinc/49/79/65/411497965.db2.gz RPJRKUNRDTVDER-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000309474373 411497743 /nfs/dbraw/zinc/49/77/43/411497743.db2.gz RPJRKUNRDTVDER-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000309475494 259343576 /nfs/dbraw/zinc/34/35/76/259343576.db2.gz BUXCEOVOMIBAIO-GXSJLCMTSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000309475495 259343404 /nfs/dbraw/zinc/34/34/04/259343404.db2.gz BUXCEOVOMIBAIO-ONGXEEELSA-N 2 0 211.309 -0.003 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000309475586 384091674 /nfs/dbraw/zinc/09/16/74/384091674.db2.gz RUQOUACYEBTLEW-HRDYMLBCSA-N 2 0 215.297 -0.654 20 0 BBADRP COC[C@](C)(CCO)[NH2+]CCOCC[NH3+] ZINC000309476232 385608953 /nfs/dbraw/zinc/60/89/53/385608953.db2.gz RZTMDHNFDIRBQH-JTQLQIEISA-N 2 0 220.313 -0.661 20 0 BBADRP COC[C@@](C)(CCO)[NH2+]CCOCC[NH3+] ZINC000309476233 385607375 /nfs/dbraw/zinc/60/73/75/385607375.db2.gz RZTMDHNFDIRBQH-SNVBAGLBSA-N 2 0 220.313 -0.661 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309476319 387807681 /nfs/dbraw/zinc/80/76/81/387807681.db2.gz SBCMKTQBPGEWDQ-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309476321 323415916 /nfs/dbraw/zinc/41/59/16/323415916.db2.gz SBCMKTQBPGEWDQ-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309476325 387806901 /nfs/dbraw/zinc/80/69/01/387806901.db2.gz SBCMKTQBPGEWDQ-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309476327 387807883 /nfs/dbraw/zinc/80/78/83/387807883.db2.gz SBCMKTQBPGEWDQ-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(CCC[NH3+])C(=O)CCOC1C[NH2+]C1 ZINC000309477015 411497314 /nfs/dbraw/zinc/49/73/14/411497314.db2.gz SEMFDMIRKJTBBG-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309477114 323413618 /nfs/dbraw/zinc/41/36/18/323413618.db2.gz CGAQKLOUELEHTM-IVZWLZJFSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309477116 323413495 /nfs/dbraw/zinc/41/34/95/323413495.db2.gz CGAQKLOUELEHTM-KXUCPTDWSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309477118 387805676 /nfs/dbraw/zinc/80/56/76/387805676.db2.gz CGAQKLOUELEHTM-LPEHRKFASA-N 2 0 209.293 -0.441 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309477120 387803973 /nfs/dbraw/zinc/80/39/73/387803973.db2.gz CGAQKLOUELEHTM-OPRDCNLKSA-N 2 0 209.293 -0.441 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000309477176 170157918 /nfs/dbraw/zinc/15/79/18/170157918.db2.gz CHGXQYYKQFRMQK-BDAKNGLRSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000309479507 173325989 /nfs/dbraw/zinc/32/59/89/173325989.db2.gz DCILVDMTNZTCMR-LLVKDONJSA-N 2 0 211.309 -0.192 20 0 BBADRP C[NH2+]CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000309479508 173326657 /nfs/dbraw/zinc/32/66/57/173326657.db2.gz DCILVDMTNZTCMR-NSHDSACASA-N 2 0 211.309 -0.192 20 0 BBADRP C[C@@H](C[NH+](C)C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309481231 411498617 /nfs/dbraw/zinc/49/86/17/411498617.db2.gz VZLDIVYGGOTFGS-CMPLNLGQSA-N 2 0 229.368 -0.019 20 0 BBADRP C[C@@H](C[NH+](C)C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000309481233 411499233 /nfs/dbraw/zinc/49/92/33/411499233.db2.gz VZLDIVYGGOTFGS-JQWIXIFHSA-N 2 0 229.368 -0.019 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000309484584 385610068 /nfs/dbraw/zinc/61/00/68/385610068.db2.gz FTOKGLPMGIQUIB-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000309484585 385610967 /nfs/dbraw/zinc/61/09/67/385610967.db2.gz FTOKGLPMGIQUIB-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000309484586 385610045 /nfs/dbraw/zinc/61/00/45/385610045.db2.gz FTOKGLPMGIQUIB-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000309484587 385611652 /nfs/dbraw/zinc/61/16/52/385611652.db2.gz FTOKGLPMGIQUIB-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CNC2CC[NH+](C)CC2)C1 ZINC000309485464 385614174 /nfs/dbraw/zinc/61/41/74/385614174.db2.gz VFUZOCZXJGCMEA-GFCCVEGCSA-N 2 0 227.352 -0.263 20 0 BBADRP C[N@@H+]1CC[C@](O)(CNC2CC[NH+](C)CC2)C1 ZINC000309485465 385612896 /nfs/dbraw/zinc/61/28/96/385612896.db2.gz VFUZOCZXJGCMEA-LBPRGKRZSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@@]1(C[N@H+](CCO)CCCO)CC[NH2+]C1 ZINC000309485835 385614163 /nfs/dbraw/zinc/61/41/63/385614163.db2.gz GILFSGCQXKJKDH-LLVKDONJSA-N 2 0 216.325 -0.337 20 0 BBADRP C[C@]1(C[N@H+](CCO)CCCO)CC[NH2+]C1 ZINC000309485836 385614142 /nfs/dbraw/zinc/61/41/42/385614142.db2.gz GILFSGCQXKJKDH-NSHDSACASA-N 2 0 216.325 -0.337 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000309485868 170114279 /nfs/dbraw/zinc/11/42/79/170114279.db2.gz GJHQICHCIZEOMF-GXSJLCMTSA-N 2 0 211.309 -0.288 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000309485869 170114321 /nfs/dbraw/zinc/11/43/21/170114321.db2.gz GJHQICHCIZEOMF-KOLCDFICSA-N 2 0 211.309 -0.288 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000309485871 170115022 /nfs/dbraw/zinc/11/50/22/170115022.db2.gz GJHQICHCIZEOMF-MWLCHTKSSA-N 2 0 211.309 -0.288 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000309485872 170114350 /nfs/dbraw/zinc/11/43/50/170114350.db2.gz GJHQICHCIZEOMF-ONGXEEELSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000309490248 385618251 /nfs/dbraw/zinc/61/82/51/385618251.db2.gz IIIKJYODNSIQJN-FXPVBKGRSA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000309490249 385618300 /nfs/dbraw/zinc/61/83/00/385618300.db2.gz IIIKJYODNSIQJN-KKZNHRDASA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000309490250 385619166 /nfs/dbraw/zinc/61/91/66/385619166.db2.gz IIIKJYODNSIQJN-WCABBAIRSA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000309490251 385618433 /nfs/dbraw/zinc/61/84/33/385618433.db2.gz IIIKJYODNSIQJN-YWVKMMECSA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000309490645 411499256 /nfs/dbraw/zinc/49/92/56/411499256.db2.gz IMTMZDDVLGIEJF-BDAKNGLRSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000309490646 411498918 /nfs/dbraw/zinc/49/89/18/411498918.db2.gz IMTMZDDVLGIEJF-DTWKUNHWSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000309490647 411498710 /nfs/dbraw/zinc/49/87/10/411498710.db2.gz IMTMZDDVLGIEJF-IUCAKERBSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000309490648 411499117 /nfs/dbraw/zinc/49/91/17/411499117.db2.gz IMTMZDDVLGIEJF-RKDXNWHRSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000309491884 387808348 /nfs/dbraw/zinc/80/83/48/387808348.db2.gz SLTFMFSXZIHKIX-HLTSFMKQSA-N 2 0 215.297 -0.796 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000309492099 182295217 /nfs/dbraw/zinc/29/52/17/182295217.db2.gz IXIKNENUFWWWCD-NXEZZACHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000309492100 182329863 /nfs/dbraw/zinc/32/98/63/182329863.db2.gz IXIKNENUFWWWCD-UWVGGRQHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000309492101 182329517 /nfs/dbraw/zinc/32/95/17/182329517.db2.gz IXIKNENUFWWWCD-VHSXEESVSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000309492102 182295033 /nfs/dbraw/zinc/29/50/33/182295033.db2.gz IXIKNENUFWWWCD-ZJUUUORDSA-N 2 0 211.309 -0.003 20 0 BBADRP CC(C)[NH2+]CCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309492110 347078169 /nfs/dbraw/zinc/07/81/69/347078169.db2.gz IXQMQHNWTRMZCV-JZYVYDRUSA-N 2 0 211.309 -0.292 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000309492348 387806210 /nfs/dbraw/zinc/80/62/10/387806210.db2.gz SNAAJLJGEMPNJE-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000309492350 323417235 /nfs/dbraw/zinc/41/72/35/323417235.db2.gz SNAAJLJGEMPNJE-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000309492352 387807787 /nfs/dbraw/zinc/80/77/87/387807787.db2.gz SNAAJLJGEMPNJE-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000309492355 323082240 /nfs/dbraw/zinc/08/22/40/323082240.db2.gz SNAAJLJGEMPNJE-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309492876 350615610 /nfs/dbraw/zinc/61/56/10/350615610.db2.gz JFGMHKJWVIDGQO-RXKWGBCNSA-N 2 0 209.293 -0.682 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309492880 350615477 /nfs/dbraw/zinc/61/54/77/350615477.db2.gz JFGMHKJWVIDGQO-SQXHDICFSA-N 2 0 209.293 -0.682 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309493112 259375809 /nfs/dbraw/zinc/37/58/09/259375809.db2.gz SPXMOYNIPHHVTR-BDAKNGLRSA-N 2 0 231.365 -0.065 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309493117 387809206 /nfs/dbraw/zinc/80/92/06/387809206.db2.gz SPXMOYNIPHHVTR-DTWKUNHWSA-N 2 0 231.365 -0.065 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309493120 259343220 /nfs/dbraw/zinc/34/32/20/259343220.db2.gz SPXMOYNIPHHVTR-IUCAKERBSA-N 2 0 231.365 -0.065 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]([NH3+])C(C)C ZINC000309493835 347076832 /nfs/dbraw/zinc/07/68/32/347076832.db2.gz SUNJMVISLJAVPI-BDAKNGLRSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000309493836 347076754 /nfs/dbraw/zinc/07/67/54/347076754.db2.gz SUNJMVISLJAVPI-DTWKUNHWSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]([NH3+])C(C)C ZINC000309493837 347076869 /nfs/dbraw/zinc/07/68/69/347076869.db2.gz SUNJMVISLJAVPI-IUCAKERBSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000309493838 347076758 /nfs/dbraw/zinc/07/67/58/347076758.db2.gz SUNJMVISLJAVPI-RKDXNWHRSA-N 2 0 217.313 -0.550 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000309494087 387808893 /nfs/dbraw/zinc/80/88/93/387808893.db2.gz JPJKYJRSWISMAL-BBBLOLIVSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309494089 487887896 /nfs/dbraw/zinc/88/78/96/487887896.db2.gz JPJKYJRSWISMAL-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309494091 350613572 /nfs/dbraw/zinc/61/35/72/350613572.db2.gz JPJKYJRSWISMAL-KXUCPTDWSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309494093 487887362 /nfs/dbraw/zinc/88/73/62/487887362.db2.gz JPJKYJRSWISMAL-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309494095 347076540 /nfs/dbraw/zinc/07/65/40/347076540.db2.gz JPJKYJRSWISMAL-OPRDCNLKSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000309494097 387809004 /nfs/dbraw/zinc/80/90/04/387809004.db2.gz JPJKYJRSWISMAL-UTLUCORTSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000309495272 487887481 /nfs/dbraw/zinc/88/74/81/487887481.db2.gz JWKWMPSKPXRKQY-UWVGGRQHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000309495273 487887997 /nfs/dbraw/zinc/88/79/97/487887997.db2.gz JWKWMPSKPXRKQY-VHSXEESVSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(C(=O)NC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000309495969 323082241 /nfs/dbraw/zinc/08/22/41/323082241.db2.gz KEWOVWPFUCFCTP-LLVKDONJSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@@]1(C(=O)NC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000309495971 387809715 /nfs/dbraw/zinc/80/97/15/387809715.db2.gz KEWOVWPFUCFCTP-NSHDSACASA-N 2 0 211.309 -0.003 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000309497044 487887505 /nfs/dbraw/zinc/88/75/05/487887505.db2.gz UDMFATMKKXSDEQ-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000309497046 487888290 /nfs/dbraw/zinc/88/82/90/487888290.db2.gz UDMFATMKKXSDEQ-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309497751 259343307 /nfs/dbraw/zinc/34/33/07/259343307.db2.gz UFZVFWIOJOTGOU-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309497757 259343352 /nfs/dbraw/zinc/34/33/52/259343352.db2.gz UFZVFWIOJOTGOU-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000309498260 487889235 /nfs/dbraw/zinc/88/92/35/487889235.db2.gz UHFCBBYOQRRGBN-DJLDLDEBSA-N 2 0 215.297 -0.702 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000309498263 487888863 /nfs/dbraw/zinc/88/88/63/487888863.db2.gz UHFCBBYOQRRGBN-HLTSFMKQSA-N 2 0 215.297 -0.702 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000309498266 487888922 /nfs/dbraw/zinc/88/89/22/487888922.db2.gz UHFCBBYOQRRGBN-IWSPIJDZSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309498267 487889299 /nfs/dbraw/zinc/88/92/99/487889299.db2.gz KWGPGURAMCFMNL-AEJSXWLSSA-N 2 0 211.309 -0.147 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000309498268 487889160 /nfs/dbraw/zinc/88/91/60/487889160.db2.gz UHFCBBYOQRRGBN-YIZRAAEISA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309498270 487889356 /nfs/dbraw/zinc/88/93/56/487889356.db2.gz KWGPGURAMCFMNL-GUBZILKMSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309498273 487889264 /nfs/dbraw/zinc/88/92/64/487889264.db2.gz KWGPGURAMCFMNL-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309498276 487889344 /nfs/dbraw/zinc/88/93/44/487889344.db2.gz KWGPGURAMCFMNL-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000309499648 387810789 /nfs/dbraw/zinc/81/07/89/387810789.db2.gz UQTHCRMKOAFEAS-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000309499649 387810279 /nfs/dbraw/zinc/81/02/79/387810279.db2.gz UQTHCRMKOAFEAS-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)COCC[NH3+])[C@H]1C ZINC000309500151 411151140 /nfs/dbraw/zinc/15/11/40/411151140.db2.gz URZRAJHNLAUWNR-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)COCC[NH3+] ZINC000309500153 411151158 /nfs/dbraw/zinc/15/11/58/411151158.db2.gz URZRAJHNLAUWNR-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)COCC[NH3+])[C@H]1C ZINC000309500154 411151205 /nfs/dbraw/zinc/15/12/05/411151205.db2.gz URZRAJHNLAUWNR-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)COCC[NH3+])[C@@H]1C ZINC000309500155 487887387 /nfs/dbraw/zinc/88/73/87/487887387.db2.gz URZRAJHNLAUWNR-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000309500243 350614263 /nfs/dbraw/zinc/61/42/63/350614263.db2.gz UTJYLZGDRMJMNZ-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309500244 350613999 /nfs/dbraw/zinc/61/39/99/350613999.db2.gz UTJYLZGDRMJMNZ-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000309500246 350614115 /nfs/dbraw/zinc/61/41/15/350614115.db2.gz UTJYLZGDRMJMNZ-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309500248 350613972 /nfs/dbraw/zinc/61/39/72/350613972.db2.gz UTJYLZGDRMJMNZ-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000309500419 350613955 /nfs/dbraw/zinc/61/39/55/350613955.db2.gz LLBVLCCGNJXQIG-PSASIEDQSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000309500420 350613996 /nfs/dbraw/zinc/61/39/96/350613996.db2.gz LLBVLCCGNJXQIG-SCZZXKLOSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000309500421 350614302 /nfs/dbraw/zinc/61/43/02/350614302.db2.gz LLBVLCCGNJXQIG-WCBMZHEXSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000309500422 350614078 /nfs/dbraw/zinc/61/40/78/350614078.db2.gz LLBVLCCGNJXQIG-WPRPVWTQSA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000309500728 487978243 /nfs/dbraw/zinc/97/82/43/487978243.db2.gz UWGUWAHYCDFPEI-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])CNC(=O)c1csc(CC[NH3+])n1 ZINC000309500807 487888307 /nfs/dbraw/zinc/88/83/07/487888307.db2.gz UYJYCYKJDRQRNF-LURJTMIESA-N 2 0 228.321 -0.279 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)c1csc(CC[NH3+])n1 ZINC000309500808 487887844 /nfs/dbraw/zinc/88/78/44/487887844.db2.gz UYJYCYKJDRQRNF-ZCFIWIBFSA-N 2 0 228.321 -0.279 20 0 BBADRP C[C@@]1(C(=O)NC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000309500987 350614654 /nfs/dbraw/zinc/61/46/54/350614654.db2.gz LOXDQDZPPMWSKG-LLVKDONJSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(C(=O)NC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000309500989 350615061 /nfs/dbraw/zinc/61/50/61/350615061.db2.gz LOXDQDZPPMWSKG-NSHDSACASA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@H](NC(=O)C1([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000309501285 350615124 /nfs/dbraw/zinc/61/51/24/350615124.db2.gz VAHBJWVWFDNLJN-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H](NC(=O)C1([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000309501287 350614729 /nfs/dbraw/zinc/61/47/29/350614729.db2.gz VAHBJWVWFDNLJN-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H](NC(=O)C1([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000309501289 350614692 /nfs/dbraw/zinc/61/46/92/350614692.db2.gz VAHBJWVWFDNLJN-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H](NC(=O)C1([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000309501291 350614714 /nfs/dbraw/zinc/61/47/14/350614714.db2.gz VAHBJWVWFDNLJN-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CCO1 ZINC000309501301 411154858 /nfs/dbraw/zinc/15/48/58/411154858.db2.gz VAKXNYRZFILCRU-AXFHLTTASA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CC[NH2+]C2)CCO1 ZINC000309501303 411155139 /nfs/dbraw/zinc/15/51/39/411155139.db2.gz VAKXNYRZFILCRU-DCAQKATOSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2CC[NH2+]C2)CCO1 ZINC000309501304 411155482 /nfs/dbraw/zinc/15/54/82/411155482.db2.gz VAKXNYRZFILCRU-GARJFASQSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCO1 ZINC000309501308 411155400 /nfs/dbraw/zinc/15/54/00/411155400.db2.gz VAKXNYRZFILCRU-HBNTYKKESA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]C1 ZINC000309501459 387810626 /nfs/dbraw/zinc/81/06/26/387810626.db2.gz LTPRDGGYPWVJQR-SJQPAMGKSA-N 2 0 209.293 -0.680 20 0 BBADRP C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]C1 ZINC000309501461 387809608 /nfs/dbraw/zinc/80/96/08/387809608.db2.gz LTPRDGGYPWVJQR-UYAYMFIHSA-N 2 0 209.293 -0.680 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@]1(F)CC[NH2+]C1 ZINC000309502050 182189600 /nfs/dbraw/zinc/18/96/00/182189600.db2.gz LXHMZGBXZYZYHF-JTQLQIEISA-N 2 0 215.272 -0.444 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@]1(F)CC[NH2+]C1 ZINC000309502053 182189075 /nfs/dbraw/zinc/18/90/75/182189075.db2.gz LXHMZGBXZYZYHF-SNVBAGLBSA-N 2 0 215.272 -0.444 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C[NH3+])OC ZINC000309503302 323419679 /nfs/dbraw/zinc/41/96/79/323419679.db2.gz VGFWLXJILWISCX-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C[NH3+])OC ZINC000309503305 323419574 /nfs/dbraw/zinc/41/95/74/323419574.db2.gz VGFWLXJILWISCX-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C[NH3+])OC ZINC000309503307 323419770 /nfs/dbraw/zinc/41/97/70/323419770.db2.gz VGFWLXJILWISCX-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C[NH3+])OC ZINC000309503309 387812343 /nfs/dbraw/zinc/81/23/43/387812343.db2.gz VGFWLXJILWISCX-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309503915 411156237 /nfs/dbraw/zinc/15/62/37/411156237.db2.gz VJIJVTQCXRAXST-BDAKNGLRSA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309503916 411156077 /nfs/dbraw/zinc/15/60/77/411156077.db2.gz VJIJVTQCXRAXST-DTWKUNHWSA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309503918 411156161 /nfs/dbraw/zinc/15/61/61/411156161.db2.gz VJIJVTQCXRAXST-IUCAKERBSA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309503919 411156311 /nfs/dbraw/zinc/15/63/11/411156311.db2.gz VJIJVTQCXRAXST-RKDXNWHRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000309504129 411156178 /nfs/dbraw/zinc/15/61/78/411156178.db2.gz MKVWTUVBNPDYGC-DTWKUNHWSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000309504133 410954736 /nfs/dbraw/zinc/95/47/36/410954736.db2.gz MKVWTUVBNPDYGC-IUCAKERBSA-N 2 0 211.309 -0.195 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309504512 350679655 /nfs/dbraw/zinc/67/96/55/350679655.db2.gz VOPXLWIYYLOPMD-BDAKNGLRSA-N 2 0 215.297 -0.700 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309504516 350679786 /nfs/dbraw/zinc/67/97/86/350679786.db2.gz VOPXLWIYYLOPMD-RKDXNWHRSA-N 2 0 215.297 -0.700 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000309504986 385641910 /nfs/dbraw/zinc/64/19/10/385641910.db2.gz MSXMHOSPJVXKMZ-NXEZZACHSA-N 2 0 209.293 -0.299 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000309504988 182637697 /nfs/dbraw/zinc/63/76/97/182637697.db2.gz MSXMHOSPJVXKMZ-VHSXEESVSA-N 2 0 209.293 -0.299 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000309505044 350679041 /nfs/dbraw/zinc/67/90/41/350679041.db2.gz VRFKGPQGCUCGGO-BDAKNGLRSA-N 2 0 231.365 -0.065 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000309505046 350679165 /nfs/dbraw/zinc/67/91/65/350679165.db2.gz VRFKGPQGCUCGGO-DTWKUNHWSA-N 2 0 231.365 -0.065 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000309505048 350678741 /nfs/dbraw/zinc/67/87/41/350678741.db2.gz VRFKGPQGCUCGGO-IUCAKERBSA-N 2 0 231.365 -0.065 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000309505051 350678829 /nfs/dbraw/zinc/67/88/29/350678829.db2.gz VRFKGPQGCUCGGO-RKDXNWHRSA-N 2 0 231.365 -0.065 20 0 BBADRP CC(C)[C@H]1CN(CCOCC[NH3+])CC[NH2+]1 ZINC000309505617 411156058 /nfs/dbraw/zinc/15/60/58/411156058.db2.gz VUUKTVGKOMKWHB-LLVKDONJSA-N 2 0 215.341 -0.109 20 0 BBADRP CN(C(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000309506415 411156189 /nfs/dbraw/zinc/15/61/89/411156189.db2.gz NHOAWSQQDMVOBJ-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000309506417 411156244 /nfs/dbraw/zinc/15/62/44/411156244.db2.gz NHOAWSQQDMVOBJ-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000309506418 411156260 /nfs/dbraw/zinc/15/62/60/411156260.db2.gz NHOAWSQQDMVOBJ-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)C[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000309506419 411156068 /nfs/dbraw/zinc/15/60/68/411156068.db2.gz NHOAWSQQDMVOBJ-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(CCC[NH3+])C(=O)COC1(C)C[NH2+]C1 ZINC000309507377 411155530 /nfs/dbraw/zinc/15/55/30/411155530.db2.gz WHMRKMQAXZOHRF-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309508066 410955876 /nfs/dbraw/zinc/95/58/76/410955876.db2.gz WLTWRQDJCRLDJP-BDAKNGLRSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309508068 411155156 /nfs/dbraw/zinc/15/51/56/411155156.db2.gz WLTWRQDJCRLDJP-DTWKUNHWSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309508070 411155120 /nfs/dbraw/zinc/15/51/20/411155120.db2.gz WLTWRQDJCRLDJP-IUCAKERBSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309508071 411155130 /nfs/dbraw/zinc/15/51/30/411155130.db2.gz WLTWRQDJCRLDJP-RKDXNWHRSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309508294 411155523 /nfs/dbraw/zinc/15/55/23/411155523.db2.gz OBWNJGJMCXIDBM-AEJSXWLSSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309508295 350678851 /nfs/dbraw/zinc/67/88/51/350678851.db2.gz OBWNJGJMCXIDBM-GUBZILKMSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309508297 411155242 /nfs/dbraw/zinc/15/52/42/411155242.db2.gz OBWNJGJMCXIDBM-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309508298 350679130 /nfs/dbraw/zinc/67/91/30/350679130.db2.gz OBWNJGJMCXIDBM-KXUCPTDWSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309508299 350679938 /nfs/dbraw/zinc/67/99/38/350679938.db2.gz OBWNJGJMCXIDBM-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309508301 350679954 /nfs/dbraw/zinc/67/99/54/350679954.db2.gz OBWNJGJMCXIDBM-UTLUCORTSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CN(C(=O)COCC[NH3+])C[C@H](C)[NH2+]1 ZINC000309508401 411155231 /nfs/dbraw/zinc/15/52/31/411155231.db2.gz WMUUFHHKKBREBX-DTORHVGOSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]1CN(C(=O)COCC[NH3+])C[C@H](C)[NH2+]1 ZINC000309508402 411154798 /nfs/dbraw/zinc/15/47/98/411154798.db2.gz WMUUFHHKKBREBX-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]1CN(C(=O)COCC[NH3+])C[C@@H](C)[NH2+]1 ZINC000309508403 411155192 /nfs/dbraw/zinc/15/51/92/411155192.db2.gz WMUUFHHKKBREBX-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP CCC[NH2+]CCNC(=O)C[C@H](C[NH3+])OC ZINC000309508834 350680074 /nfs/dbraw/zinc/68/00/74/350680074.db2.gz WQQHKKNFYOICJW-SECBINFHSA-N 2 0 217.313 -0.534 20 0 BBADRP CCC[NH2+]CCNC(=O)C[C@@H](C[NH3+])OC ZINC000309508835 350680001 /nfs/dbraw/zinc/68/00/01/350680001.db2.gz WQQHKKNFYOICJW-VIFPVBQESA-N 2 0 217.313 -0.534 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000309508904 350685311 /nfs/dbraw/zinc/68/53/11/350685311.db2.gz WSMCDAFUMJRUKX-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309508905 350685465 /nfs/dbraw/zinc/68/54/65/350685465.db2.gz WSMCDAFUMJRUKX-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000309508906 350685487 /nfs/dbraw/zinc/68/54/87/350685487.db2.gz WSMCDAFUMJRUKX-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309508908 350685270 /nfs/dbraw/zinc/68/52/70/350685270.db2.gz WSMCDAFUMJRUKX-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]CCNC(=O)c1csc(CC[NH3+])n1 ZINC000309509250 350685248 /nfs/dbraw/zinc/68/52/48/350685248.db2.gz WVWUPSNYQVQUMB-UHFFFAOYSA-N 2 0 228.321 -0.407 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000309509572 411155228 /nfs/dbraw/zinc/15/52/28/411155228.db2.gz WWPOCALAFSPXAX-KOLCDFICSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@](C[NH3+])(NC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000309509573 411154841 /nfs/dbraw/zinc/15/48/41/411154841.db2.gz WWPOCALAFSPXAX-MWLCHTKSSA-N 2 0 211.309 -0.018 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000309510466 347089252 /nfs/dbraw/zinc/08/92/52/347089252.db2.gz PCBHHSSZBKEVON-AEJSXWLSSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000309510467 350686237 /nfs/dbraw/zinc/68/62/37/350686237.db2.gz PCBHHSSZBKEVON-BBBLOLIVSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000309510468 350685931 /nfs/dbraw/zinc/68/59/31/350685931.db2.gz PCBHHSSZBKEVON-IVZWLZJFSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000309510470 350685868 /nfs/dbraw/zinc/68/58/68/350685868.db2.gz PCBHHSSZBKEVON-OPRDCNLKSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309510650 350686239 /nfs/dbraw/zinc/68/62/39/350686239.db2.gz XETRTZIELDSGDR-GXSJLCMTSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000309510651 350685770 /nfs/dbraw/zinc/68/57/70/350685770.db2.gz XETRTZIELDSGDR-KOLCDFICSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309510652 350685695 /nfs/dbraw/zinc/68/56/95/350685695.db2.gz XETRTZIELDSGDR-MWLCHTKSSA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000309510654 350686153 /nfs/dbraw/zinc/68/61/53/350686153.db2.gz XETRTZIELDSGDR-ONGXEEELSA-N 2 0 211.309 -0.207 20 0 BBADRP CC1(CNC(=O)C2([NH3+])CC2)CC[NH2+]CC1 ZINC000309511053 350685512 /nfs/dbraw/zinc/68/55/12/350685512.db2.gz XHQZZPCDOQHSLK-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000309511471 350685318 /nfs/dbraw/zinc/68/53/18/350685318.db2.gz XLTBNNDKOYTNMA-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000309511472 350685499 /nfs/dbraw/zinc/68/54/99/350685499.db2.gz XLTBNNDKOYTNMA-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000309511473 350685397 /nfs/dbraw/zinc/68/53/97/350685397.db2.gz XLTBNNDKOYTNMA-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000309511475 350685427 /nfs/dbraw/zinc/68/54/27/350685427.db2.gz XLTBNNDKOYTNMA-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000309511749 411157872 /nfs/dbraw/zinc/15/78/72/411157872.db2.gz XMSXUNFQYOIYQP-BDAKNGLRSA-N 2 0 217.313 -0.406 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309511750 411157506 /nfs/dbraw/zinc/15/75/06/411157506.db2.gz XMSXUNFQYOIYQP-DTWKUNHWSA-N 2 0 217.313 -0.406 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309511751 411157797 /nfs/dbraw/zinc/15/77/97/411157797.db2.gz XMSXUNFQYOIYQP-IUCAKERBSA-N 2 0 217.313 -0.406 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000309511752 411157847 /nfs/dbraw/zinc/15/78/47/411157847.db2.gz XMSXUNFQYOIYQP-RKDXNWHRSA-N 2 0 217.313 -0.406 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309512118 350685083 /nfs/dbraw/zinc/68/50/83/350685083.db2.gz XPYWLNZYLNRNFM-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP COC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309512119 350685457 /nfs/dbraw/zinc/68/54/57/350685457.db2.gz XPYWLNZYLNRNFM-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)COC1(C)C[NH2+]C1 ZINC000309512599 343661682 /nfs/dbraw/zinc/66/16/82/343661682.db2.gz XVTNCFPGKKFMIY-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]([NH3+])COC ZINC000309512961 411158465 /nfs/dbraw/zinc/15/84/65/411158465.db2.gz XWCORYKPNRTGRY-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC ZINC000309512965 411158332 /nfs/dbraw/zinc/15/83/32/411158332.db2.gz XWCORYKPNRTGRY-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309513110 169007839 /nfs/dbraw/zinc/00/78/39/169007839.db2.gz XXJBAGBVXRIFNM-QCLAVDOMSA-N 2 0 211.309 -0.162 20 0 BBADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309513111 347090339 /nfs/dbraw/zinc/09/03/39/347090339.db2.gz XXJBAGBVXRIFNM-RGOKHQFPSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)COCC[NH3+] ZINC000309513906 411157865 /nfs/dbraw/zinc/15/78/65/411157865.db2.gz YBQBMRQSQMVVNZ-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@]1(C(=O)NCC[NH2+]C2CC2)CCC[NH2+]1 ZINC000309514025 487981846 /nfs/dbraw/zinc/98/18/46/487981846.db2.gz QPVITDFWQZMSSG-LLVKDONJSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@@]1(C(=O)NCC[NH2+]C2CC2)CCC[NH2+]1 ZINC000309514026 487982151 /nfs/dbraw/zinc/98/21/51/487982151.db2.gz QPVITDFWQZMSSG-NSHDSACASA-N 2 0 211.309 -0.003 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000309514306 387815695 /nfs/dbraw/zinc/81/56/95/387815695.db2.gz YFUKBPKGNZQZQG-HRDYMLBCSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000309514307 387815734 /nfs/dbraw/zinc/81/57/34/387815734.db2.gz YFUKBPKGNZQZQG-IWSPIJDZSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000309514308 387815603 /nfs/dbraw/zinc/81/56/03/387815603.db2.gz YFUKBPKGNZQZQG-XHNCKOQMSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000309514309 387814934 /nfs/dbraw/zinc/81/49/34/387814934.db2.gz YFUKBPKGNZQZQG-YIZRAAEISA-N 2 0 215.297 -0.831 20 0 BBADRP C[C@@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000309514310 387813694 /nfs/dbraw/zinc/81/36/94/387813694.db2.gz YFXLNKDCUAKEET-MRVPVSSYSA-N 2 0 208.265 -0.043 20 0 BBADRP C[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000309514311 350694849 /nfs/dbraw/zinc/69/48/49/350694849.db2.gz YFXLNKDCUAKEET-QMMMGPOBSA-N 2 0 208.265 -0.043 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[NH2+]CCOC)C1 ZINC000309514888 411157914 /nfs/dbraw/zinc/15/79/14/411157914.db2.gz RBQZABNUEKVROQ-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[NH2+]CCOC)C1 ZINC000309514889 411157908 /nfs/dbraw/zinc/15/79/08/411157908.db2.gz RBQZABNUEKVROQ-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)C[NH2+]C2CC2)CC[NH2+]1 ZINC000309515212 350694826 /nfs/dbraw/zinc/69/48/26/350694826.db2.gz REMIDMJRVCJKOX-PSASIEDQSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)CC[NH2+]1 ZINC000309515214 350694961 /nfs/dbraw/zinc/69/49/61/350694961.db2.gz REMIDMJRVCJKOX-SCZZXKLOSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]1C[C@H](NC(=O)C[NH2+]C2CC2)CC[NH2+]1 ZINC000309515216 350694538 /nfs/dbraw/zinc/69/45/38/350694538.db2.gz REMIDMJRVCJKOX-WCBMZHEXSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)CC[NH2+]1 ZINC000309515218 350694575 /nfs/dbraw/zinc/69/45/75/350694575.db2.gz REMIDMJRVCJKOX-WPRPVWTQSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000309515991 387815813 /nfs/dbraw/zinc/81/58/13/387815813.db2.gz YSLGHOWTUVJCBA-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000309515993 323421725 /nfs/dbraw/zinc/42/17/25/323421725.db2.gz YSLGHOWTUVJCBA-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000309515995 323421451 /nfs/dbraw/zinc/42/14/51/323421451.db2.gz YSLGHOWTUVJCBA-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000309515997 323421488 /nfs/dbraw/zinc/42/14/88/323421488.db2.gz YSLGHOWTUVJCBA-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309517368 386016140 /nfs/dbraw/zinc/01/61/40/386016140.db2.gz YZSSREGICTYJEU-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000309517370 411158444 /nfs/dbraw/zinc/15/84/44/411158444.db2.gz YZSSREGICTYJEU-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309517371 411158525 /nfs/dbraw/zinc/15/85/25/411158525.db2.gz YZSSREGICTYJEU-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000309517372 386016061 /nfs/dbraw/zinc/01/60/61/386016061.db2.gz YZSSREGICTYJEU-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309518141 350697071 /nfs/dbraw/zinc/69/70/71/350697071.db2.gz SIHHRTHPWQLRCO-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000309518142 350697206 /nfs/dbraw/zinc/69/72/06/350697206.db2.gz SIHHRTHPWQLRCO-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000309518171 410954938 /nfs/dbraw/zinc/95/49/38/410954938.db2.gz SITOZXCKGGQCOD-BDAKNGLRSA-N 2 0 211.309 -0.195 20 0 BBADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000309518173 411158780 /nfs/dbraw/zinc/15/87/80/411158780.db2.gz SITOZXCKGGQCOD-DTWKUNHWSA-N 2 0 211.309 -0.195 20 0 BBADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000309518175 411158660 /nfs/dbraw/zinc/15/86/60/411158660.db2.gz SITOZXCKGGQCOD-IUCAKERBSA-N 2 0 211.309 -0.195 20 0 BBADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000309518176 411158400 /nfs/dbraw/zinc/15/84/00/411158400.db2.gz SITOZXCKGGQCOD-RKDXNWHRSA-N 2 0 211.309 -0.195 20 0 BBADRP O=C(C[NH2+]CC1CC1)N[C@H]1CCC[NH2+]C1 ZINC000309518207 350697321 /nfs/dbraw/zinc/69/73/21/350697321.db2.gz SJMDAJYUXZDZSI-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[NH2+]CC1CC1)N[C@@H]1CCC[NH2+]C1 ZINC000309518209 323421340 /nfs/dbraw/zinc/42/13/40/323421340.db2.gz SJMDAJYUXZDZSI-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000309518625 411159961 /nfs/dbraw/zinc/15/99/61/411159961.db2.gz SNPVCIZOGWHMFZ-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000309518626 411159927 /nfs/dbraw/zinc/15/99/27/411159927.db2.gz SNPVCIZOGWHMFZ-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309518894 171397078 /nfs/dbraw/zinc/39/70/78/171397078.db2.gz ZMUBJRXPLHSDOZ-GENCIFFESA-N 2 0 211.309 -0.306 20 0 BBADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309518898 171372279 /nfs/dbraw/zinc/37/22/79/171372279.db2.gz ZMUBJRXPLHSDOZ-SRQGCSHVSA-N 2 0 211.309 -0.306 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309518899 384116837 /nfs/dbraw/zinc/11/68/37/384116837.db2.gz ZMUBJRXPLHSDOZ-ZJDVBMNYSA-N 2 0 211.309 -0.306 20 0 BBADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000309519111 411160041 /nfs/dbraw/zinc/16/00/41/411160041.db2.gz SRQQEXPQBSMHJD-UWVGGRQHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000309519112 411159560 /nfs/dbraw/zinc/15/95/60/411159560.db2.gz SRQQEXPQBSMHJD-VHSXEESVSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000309519792 350695620 /nfs/dbraw/zinc/69/56/20/350695620.db2.gz ZRWFBXWDIDAWSD-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000309519794 350695673 /nfs/dbraw/zinc/69/56/73/350695673.db2.gz ZRWFBXWDIDAWSD-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000309520467 411159485 /nfs/dbraw/zinc/15/94/85/411159485.db2.gz BGQOAGIQXHLDQM-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000309520469 411160129 /nfs/dbraw/zinc/16/01/29/411160129.db2.gz BGQOAGIQXHLDQM-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309520595 386051280 /nfs/dbraw/zinc/05/12/80/386051280.db2.gz ZYGLDEUBYGPTPB-CIUDSAMLSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000309520596 386051311 /nfs/dbraw/zinc/05/13/11/386051311.db2.gz ZYGLDEUBYGPTPB-HRDYMLBCSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000309520597 386051721 /nfs/dbraw/zinc/05/17/21/386051721.db2.gz ZYGLDEUBYGPTPB-VGMNWLOBSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309520598 386051772 /nfs/dbraw/zinc/05/17/72/386051772.db2.gz ZYGLDEUBYGPTPB-XHNCKOQMSA-N 2 0 215.297 -0.844 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309520644 411159721 /nfs/dbraw/zinc/15/97/21/411159721.db2.gz ZZDGIBQYCRPJES-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309520648 411159626 /nfs/dbraw/zinc/15/96/26/411159626.db2.gz ZZDGIBQYCRPJES-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP [NH3+]CCOc1ccc(NC(=O)C[NH3+])cc1 ZINC000309522259 350696603 /nfs/dbraw/zinc/69/66/03/350696603.db2.gz BZCUMDCDEHXRNE-UHFFFAOYSA-N 2 0 209.249 -0.079 20 0 BBADRP O=C(NC1CC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000309522276 632470583 /nfs/dbraw/zinc/47/05/83/632470583.db2.gz BNTYKVGRHUDCHN-JTQLQIEISA-N 2 0 215.272 -0.444 20 0 BBADRP O=C(NC1CC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000309522277 632469757 /nfs/dbraw/zinc/46/97/57/632469757.db2.gz BNTYKVGRHUDCHN-SNVBAGLBSA-N 2 0 215.272 -0.444 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)C[NH2+]C1CC1 ZINC000309522599 487985130 /nfs/dbraw/zinc/98/51/30/487985130.db2.gz UIOVSGSLOIBCFL-UHFFFAOYSA-N 2 0 211.309 -0.051 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[NH2+]CC1 ZINC000309524595 487716809 /nfs/dbraw/zinc/71/68/09/487716809.db2.gz USWFEXOSKTYEEF-MYJAWHEDSA-N 2 0 209.293 -0.726 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3([NH3+])CC3)C[C@@H]12 ZINC000309524875 387818579 /nfs/dbraw/zinc/81/85/79/387818579.db2.gz BQXZWVPNMQBNTD-DJLDLDEBSA-N 2 0 209.293 -0.327 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH3+])CC3)C[C@H]12 ZINC000309524878 387818732 /nfs/dbraw/zinc/81/87/32/387818732.db2.gz BQXZWVPNMQBNTD-HRDYMLBCSA-N 2 0 209.293 -0.327 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH3+])CC3)C[C@@H]12 ZINC000309524882 387816586 /nfs/dbraw/zinc/81/65/86/387816586.db2.gz BQXZWVPNMQBNTD-IWSPIJDZSA-N 2 0 209.293 -0.327 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3([NH3+])CC3)C[C@H]12 ZINC000309524884 323423293 /nfs/dbraw/zinc/42/32/93/323423293.db2.gz BQXZWVPNMQBNTD-XHNCKOQMSA-N 2 0 209.293 -0.327 20 0 BBADRP [NH3+][C@@H](CNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000309525971 322964077 /nfs/dbraw/zinc/96/40/77/322964077.db2.gz BWMPAXQCHYDDTD-JTQLQIEISA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H](CNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000309525977 322964080 /nfs/dbraw/zinc/96/40/80/322964080.db2.gz BWMPAXQCHYDDTD-SNVBAGLBSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000309526062 487984741 /nfs/dbraw/zinc/98/47/41/487984741.db2.gz BXHRCDKXXFWGEE-KXUCPTDWSA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@@]1(C(=O)NCC2C[NH2+]C2)CCC[NH2+]C1 ZINC000309527270 411163012 /nfs/dbraw/zinc/16/30/12/411163012.db2.gz VCJKIUJCJRRNNX-LLVKDONJSA-N 2 0 211.309 -0.288 20 0 BBADRP C[C@]1(C(=O)NCC2C[NH2+]C2)CCC[NH2+]C1 ZINC000309527271 411162906 /nfs/dbraw/zinc/16/29/06/411162906.db2.gz VCJKIUJCJRRNNX-NSHDSACASA-N 2 0 211.309 -0.288 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCC[NH2+]1 ZINC000309528083 182345901 /nfs/dbraw/zinc/34/59/01/182345901.db2.gz BIJUQLLKCQMCLE-QCLAVDOMSA-N 2 0 209.293 -0.538 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCC[NH2+]1 ZINC000309528085 182345893 /nfs/dbraw/zinc/34/58/93/182345893.db2.gz BIJUQLLKCQMCLE-RGOKHQFPSA-N 2 0 209.293 -0.538 20 0 BBADRP C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)C1C[NH2+]C1 ZINC000309528103 350701770 /nfs/dbraw/zinc/70/17/70/350701770.db2.gz VEZRPHIHUGEGHS-BDAKNGLRSA-N 2 0 211.309 -0.338 20 0 BBADRP C[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)C1C[NH2+]C1 ZINC000309528110 350701856 /nfs/dbraw/zinc/70/18/56/350701856.db2.gz VEZRPHIHUGEGHS-RKDXNWHRSA-N 2 0 211.309 -0.338 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000309530147 411162573 /nfs/dbraw/zinc/16/25/73/411162573.db2.gz CRGANXUPDVTMSG-IMSYWVGJSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000309531401 632474771 /nfs/dbraw/zinc/47/47/71/632474771.db2.gz DKKPZDBYHISBOE-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CC(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000309531405 632474411 /nfs/dbraw/zinc/47/44/11/632474411.db2.gz DKKPZDBYHISBOE-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCOCCN1CC[NH2+]C[C@@H]1C(F)F ZINC000309531496 387816627 /nfs/dbraw/zinc/81/66/27/387816627.db2.gz DLBAEDJZOPVWBO-MRVPVSSYSA-N 2 0 223.267 -0.499 20 0 BBADRP [NH3+]CCOCCN1CC[NH2+]C[C@H]1C(F)F ZINC000309531504 387817319 /nfs/dbraw/zinc/81/73/19/387817319.db2.gz DLBAEDJZOPVWBO-QMMMGPOBSA-N 2 0 223.267 -0.499 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309535407 350708003 /nfs/dbraw/zinc/70/80/03/350708003.db2.gz FAPPRHGJEVPQOM-LLVKDONJSA-N 2 0 211.309 -0.063 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000309535408 350707998 /nfs/dbraw/zinc/70/79/98/350707998.db2.gz FAPPRHGJEVPQOM-NSHDSACASA-N 2 0 211.309 -0.063 20 0 BBADRP O=C(C[NH2+]CC1CC1)NCC[NH2+]C1CC1 ZINC000309535929 411166140 /nfs/dbraw/zinc/16/61/40/411166140.db2.gz XAHSQLBEWAKNEZ-UHFFFAOYSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@H](C[NH3+])NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000309537550 633949050 /nfs/dbraw/zinc/94/90/50/633949050.db2.gz FTUCKFNJFGBDKQ-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H](C[NH3+])NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000309537551 633949657 /nfs/dbraw/zinc/94/96/57/633949657.db2.gz FTUCKFNJFGBDKQ-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309539836 411166084 /nfs/dbraw/zinc/16/60/84/411166084.db2.gz GFQMHQVBSHUBQK-QXEWZRGKSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000309539841 385673296 /nfs/dbraw/zinc/67/32/96/385673296.db2.gz GFRDVRVOJXKOKD-PSASIEDQSA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000309539845 385674131 /nfs/dbraw/zinc/67/41/31/385674131.db2.gz GFRDVRVOJXKOKD-SCZZXKLOSA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000309539849 385674401 /nfs/dbraw/zinc/67/44/01/385674401.db2.gz GFRDVRVOJXKOKD-WCBMZHEXSA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000309539853 385673946 /nfs/dbraw/zinc/67/39/46/385673946.db2.gz GFRDVRVOJXKOKD-WPRPVWTQSA-N 2 0 215.272 -0.459 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309540482 411166118 /nfs/dbraw/zinc/16/61/18/411166118.db2.gz GFQMHQVBSHUBQK-YWVKMMECSA-N 2 0 211.309 -0.079 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309540712 388368865 /nfs/dbraw/zinc/36/88/65/388368865.db2.gz YEWXYVJOEYYTDY-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309540713 326158178 /nfs/dbraw/zinc/15/81/78/326158178.db2.gz YEWXYVJOEYYTDY-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP [NH3+]CCOCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309540813 370224852 /nfs/dbraw/zinc/22/48/52/370224852.db2.gz GKEDITJELVJDLP-MNOVXSKESA-N 3 0 213.325 -0.212 20 0 BBADRP [NH3+]C1(CNC(=O)C[NH2+]CC2CC2)CCC1 ZINC000309541182 370224959 /nfs/dbraw/zinc/22/49/59/370224959.db2.gz GLWADHNNGNTSDX-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CC1(C(=O)NCC2C[NH2+]C2)CCCC1 ZINC000309542326 410957402 /nfs/dbraw/zinc/95/74/02/410957402.db2.gz GRDHOHWTNXZQBK-UHFFFAOYSA-N 2 0 211.309 -0.159 20 0 BBADRP CN(C(=O)C[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000309543247 411169649 /nfs/dbraw/zinc/16/96/49/411169649.db2.gz YVKFUTPMXBRNNW-UHFFFAOYSA-N 2 0 211.309 -0.051 20 0 BBADRP [NH3+]C1(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000309543492 370226663 /nfs/dbraw/zinc/22/66/63/370226663.db2.gz GYWIBJFFIBHDIK-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]C1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000309543494 370226573 /nfs/dbraw/zinc/22/65/73/370226573.db2.gz GYWIBJFFIBHDIK-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000309544818 326158229 /nfs/dbraw/zinc/15/82/29/326158229.db2.gz ZIUAEEOZYFDGRJ-GXSJLCMTSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000309544819 326158686 /nfs/dbraw/zinc/15/86/86/326158686.db2.gz ZIUAEEOZYFDGRJ-KOLCDFICSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000309544820 323424483 /nfs/dbraw/zinc/42/44/83/323424483.db2.gz ZIUAEEOZYFDGRJ-MWLCHTKSSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000309544821 387820045 /nfs/dbraw/zinc/82/00/45/387820045.db2.gz ZIUAEEOZYFDGRJ-ONGXEEELSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000309545690 385679589 /nfs/dbraw/zinc/67/95/89/385679589.db2.gz ZSDNTZHJGBKNQY-PSASIEDQSA-N 2 0 215.272 -0.492 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000309545692 385678925 /nfs/dbraw/zinc/67/89/25/385678925.db2.gz ZSDNTZHJGBKNQY-SCZZXKLOSA-N 2 0 215.272 -0.492 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000309545695 385678554 /nfs/dbraw/zinc/67/85/54/385678554.db2.gz ZSDNTZHJGBKNQY-WCBMZHEXSA-N 2 0 215.272 -0.492 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000309545696 385680136 /nfs/dbraw/zinc/68/01/36/385680136.db2.gz ZSDNTZHJGBKNQY-WPRPVWTQSA-N 2 0 215.272 -0.492 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000309546147 350745265 /nfs/dbraw/zinc/74/52/65/350745265.db2.gz ZYXMCTDLONXUKI-KXUCPTDWSA-N 2 0 209.293 -0.299 20 0 BBADRP C[NH2+]CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000309546268 411169121 /nfs/dbraw/zinc/16/91/21/411169121.db2.gz BTHRCXWIMSIZOZ-UHFFFAOYSA-N 2 0 215.297 -0.909 20 0 BBADRP O=C(C[NH2+]C1CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000309546280 326158509 /nfs/dbraw/zinc/15/85/09/326158509.db2.gz BTMXFSPLFAXLTO-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[NH2+]C1CC1)NC[C@H]1CCC[NH2+]C1 ZINC000309546282 326158607 /nfs/dbraw/zinc/15/86/07/326158607.db2.gz BTMXFSPLFAXLTO-VIFPVBQESA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000309547933 323424491 /nfs/dbraw/zinc/42/44/91/323424491.db2.gz CJWGVDMHMUMXNX-GXSJLCMTSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000309547934 387821290 /nfs/dbraw/zinc/82/12/90/387821290.db2.gz CJWGVDMHMUMXNX-ONGXEEELSA-N 2 0 211.309 -0.051 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)COC1C[NH2+]C1 ZINC000309547935 323424728 /nfs/dbraw/zinc/42/47/28/323424728.db2.gz CJYFTTHRXDBLKF-MRVPVSSYSA-N 2 0 215.297 -0.911 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309547986 182028544 /nfs/dbraw/zinc/02/85/44/182028544.db2.gz CMUCIEYADCPYKB-REIXXSIJSA-N 2 0 209.293 -0.538 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309547988 182017499 /nfs/dbraw/zinc/01/74/99/182017499.db2.gz CMUCIEYADCPYKB-WYOJIJJFSA-N 2 0 209.293 -0.538 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309548024 385682148 /nfs/dbraw/zinc/68/21/48/385682148.db2.gz COBZEBXSUWTORT-PSASIEDQSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309548025 385682503 /nfs/dbraw/zinc/68/25/03/385682503.db2.gz COBZEBXSUWTORT-SCZZXKLOSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309548027 385681796 /nfs/dbraw/zinc/68/17/96/385681796.db2.gz COBZEBXSUWTORT-WCBMZHEXSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C(C1C[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309548029 181872386 /nfs/dbraw/zinc/87/23/86/181872386.db2.gz COBZEBXSUWTORT-WPRPVWTQSA-N 2 0 209.293 -0.584 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000309548543 350748157 /nfs/dbraw/zinc/74/81/57/350748157.db2.gz CROXJKVEWSURLH-BDAKNGLRSA-N 2 0 213.325 -0.186 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000309548544 350747538 /nfs/dbraw/zinc/74/75/38/350747538.db2.gz CROXJKVEWSURLH-DTWKUNHWSA-N 2 0 213.325 -0.186 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000309548545 350748205 /nfs/dbraw/zinc/74/82/05/350748205.db2.gz CROXJKVEWSURLH-IUCAKERBSA-N 2 0 213.325 -0.186 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000309548546 350748098 /nfs/dbraw/zinc/74/80/98/350748098.db2.gz CROXJKVEWSURLH-RKDXNWHRSA-N 2 0 213.325 -0.186 20 0 BBADRP [NH3+]C1(CNC(=O)C2CC[NH2+]CC2)CCC1 ZINC000309548958 326158539 /nfs/dbraw/zinc/15/85/39/326158539.db2.gz JJSONGRQXXATPB-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000309551533 350748650 /nfs/dbraw/zinc/74/86/50/350748650.db2.gz KLMSOJFPXDALLD-UHFFFAOYSA-N 2 0 211.309 -0.063 20 0 BBADRP [NH3+]CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000309552941 411171277 /nfs/dbraw/zinc/17/12/77/411171277.db2.gz KZZFIKPWWXJLAL-UHFFFAOYSA-N 2 0 206.249 -0.376 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000309553009 326158575 /nfs/dbraw/zinc/15/85/75/326158575.db2.gz LEGPMVHZYHIXPJ-GHMZBOCLSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000309553010 326158458 /nfs/dbraw/zinc/15/84/58/326158458.db2.gz LEGPMVHZYHIXPJ-MNOVXSKESA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000309553011 326158516 /nfs/dbraw/zinc/15/85/16/326158516.db2.gz LEGPMVHZYHIXPJ-QWRGUYRKSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000309553012 326158562 /nfs/dbraw/zinc/15/85/62/326158562.db2.gz LEGPMVHZYHIXPJ-WDEREUQCSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000309554404 632490998 /nfs/dbraw/zinc/49/09/98/632490998.db2.gz LUHILUZBTQABGO-JTQLQIEISA-N 2 0 215.272 -0.362 20 0 BBADRP [NH3+]C1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000309554405 632491800 /nfs/dbraw/zinc/49/18/00/632491800.db2.gz LUHILUZBTQABGO-SNVBAGLBSA-N 2 0 215.272 -0.362 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309556230 397862691 /nfs/dbraw/zinc/86/26/91/397862691.db2.gz MOKMULKBZUMOIY-SPFKKGSWSA-N 2 0 209.293 -0.552 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309556232 397863264 /nfs/dbraw/zinc/86/32/64/397863264.db2.gz MOKMULKBZUMOIY-SRQGCSHVSA-N 2 0 209.293 -0.552 20 0 BBADRP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309558747 632495900 /nfs/dbraw/zinc/49/59/00/632495900.db2.gz IOWKHLRNRIHLGI-NEPJUHHUSA-N 2 0 228.336 -0.196 20 0 BBADRP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309558750 632496499 /nfs/dbraw/zinc/49/64/99/632496499.db2.gz IOWKHLRNRIHLGI-NWDGAFQWSA-N 2 0 228.336 -0.196 20 0 BBADRP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309558752 632494773 /nfs/dbraw/zinc/49/47/73/632494773.db2.gz IOWKHLRNRIHLGI-RYUDHWBXSA-N 2 0 228.336 -0.196 20 0 BBADRP OC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309558753 632496163 /nfs/dbraw/zinc/49/61/63/632496163.db2.gz IOWKHLRNRIHLGI-VXGBXAGGSA-N 2 0 228.336 -0.196 20 0 BBADRP CC[NH2+]CCNC(=O)CCOC1C[NH2+]C1 ZINC000309558874 370229667 /nfs/dbraw/zinc/22/96/67/370229667.db2.gz IQSZQFWNFAYYDU-UHFFFAOYSA-N 2 0 215.297 -0.909 20 0 BBADRP [NH3+]C1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000309560478 370229195 /nfs/dbraw/zinc/22/91/95/370229195.db2.gz OJZRKMOKFSNLLM-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP CN(C(=O)[C@]1(C)CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000309562194 370229604 /nfs/dbraw/zinc/22/96/04/370229604.db2.gz JTOQYPIEYIWECS-GXSJLCMTSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000309562196 370228728 /nfs/dbraw/zinc/22/87/28/370228728.db2.gz JTOQYPIEYIWECS-KOLCDFICSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)[C@]1(C)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000309562197 370227548 /nfs/dbraw/zinc/22/75/48/370227548.db2.gz JTOQYPIEYIWECS-MWLCHTKSSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000309562198 370227665 /nfs/dbraw/zinc/22/76/65/370227665.db2.gz JTOQYPIEYIWECS-ONGXEEELSA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+][C@@H](CC(F)F)C(=O)NCC[NH2+]C1CC1 ZINC000309562497 411174688 /nfs/dbraw/zinc/17/46/88/411174688.db2.gz PJNRVYMONQVNOS-ZETCQYMHSA-N 2 0 221.251 -0.163 20 0 BBADRP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000309562782 411174648 /nfs/dbraw/zinc/17/46/48/411174648.db2.gz JWKWMPSKPXRKQY-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000309562784 411174672 /nfs/dbraw/zinc/17/46/72/411174672.db2.gz JWKWMPSKPXRKQY-ZJUUUORDSA-N 2 0 211.309 -0.146 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000309565908 326159511 /nfs/dbraw/zinc/15/95/11/326159511.db2.gz QQEUCQINBNJAGC-IVZWLZJFSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000309565909 326159698 /nfs/dbraw/zinc/15/96/98/326159698.db2.gz QQEUCQINBNJAGC-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000309565910 326159658 /nfs/dbraw/zinc/15/96/58/326159658.db2.gz QQEUCQINBNJAGC-LPEHRKFASA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000309565911 326159551 /nfs/dbraw/zinc/15/95/51/326159551.db2.gz QQEUCQINBNJAGC-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309566682 370230825 /nfs/dbraw/zinc/23/08/25/370230825.db2.gz QXKRDVLHEWXESM-RNFRBKRXSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309566687 370230415 /nfs/dbraw/zinc/23/04/15/370230415.db2.gz QXKRDVLHEWXESM-RQJHMYQMSA-N 2 0 221.251 -0.163 20 0 BBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000309574745 385707340 /nfs/dbraw/zinc/70/73/40/385707340.db2.gz OKCTZRANDAWAMF-GXSJLCMTSA-N 2 0 209.293 -0.582 20 0 BBADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000309574747 385706852 /nfs/dbraw/zinc/70/68/52/385706852.db2.gz OKCTZRANDAWAMF-KOLCDFICSA-N 2 0 209.293 -0.582 20 0 BBADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000309574749 385707310 /nfs/dbraw/zinc/70/73/10/385707310.db2.gz OKCTZRANDAWAMF-MWLCHTKSSA-N 2 0 209.293 -0.582 20 0 BBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000309574751 385706824 /nfs/dbraw/zinc/70/68/24/385706824.db2.gz OKCTZRANDAWAMF-ONGXEEELSA-N 2 0 209.293 -0.582 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309578044 370231581 /nfs/dbraw/zinc/23/15/81/370231581.db2.gz RCPSDEHDWWJRJL-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309578045 370232147 /nfs/dbraw/zinc/23/21/47/370232147.db2.gz RCPSDEHDWWJRJL-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000309578566 632543183 /nfs/dbraw/zinc/54/31/83/632543183.db2.gz RHDFPLUTSNHWBE-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000309578567 632541801 /nfs/dbraw/zinc/54/18/01/632541801.db2.gz RHDFPLUTSNHWBE-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000309579219 632545599 /nfs/dbraw/zinc/54/55/99/632545599.db2.gz RMLOEVMMDNCRAE-NXEZZACHSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000309579222 632545118 /nfs/dbraw/zinc/54/51/18/632545118.db2.gz RMLOEVMMDNCRAE-UWVGGRQHSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000309579224 633959301 /nfs/dbraw/zinc/95/93/01/633959301.db2.gz RMLOEVMMDNCRAE-VHSXEESVSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000309579226 632545758 /nfs/dbraw/zinc/54/57/58/632545758.db2.gz RMLOEVMMDNCRAE-ZJUUUORDSA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000309580254 633205335 /nfs/dbraw/zinc/20/53/35/633205335.db2.gz SAOSJGQMMWJCFV-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000309580255 633204076 /nfs/dbraw/zinc/20/40/76/633204076.db2.gz SAOSJGQMMWJCFV-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000309580841 181593595 /nfs/dbraw/zinc/59/35/95/181593595.db2.gz SCFMAIXAZZPFOA-SQXHDICFSA-N 2 0 209.293 -0.552 20 0 BBADRP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000309580846 385714059 /nfs/dbraw/zinc/71/40/59/385714059.db2.gz SCFMAIXAZZPFOA-VFCFLDTKSA-N 2 0 209.293 -0.552 20 0 BBADRP [NH3+]CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000309581768 491120128 /nfs/dbraw/zinc/12/01/28/491120128.db2.gz SSVHZUKQPOCFCV-UHFFFAOYSA-N 2 0 205.261 -0.135 20 0 BBADRP CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000309582537 342715802 /nfs/dbraw/zinc/71/58/02/342715802.db2.gz QVMXYEPVJZIYOQ-GXSJLCMTSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000309582540 342715914 /nfs/dbraw/zinc/71/59/14/342715914.db2.gz QVMXYEPVJZIYOQ-KOLCDFICSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000309582543 342715859 /nfs/dbraw/zinc/71/58/59/342715859.db2.gz QVMXYEPVJZIYOQ-MWLCHTKSSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000309582544 342715917 /nfs/dbraw/zinc/71/59/17/342715917.db2.gz QVMXYEPVJZIYOQ-ONGXEEELSA-N 2 0 211.309 -0.051 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000309583197 491120144 /nfs/dbraw/zinc/12/01/44/491120144.db2.gz UGFROGFRMDDHQU-BDAKNGLRSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000309583198 491120147 /nfs/dbraw/zinc/12/01/47/491120147.db2.gz UGFROGFRMDDHQU-DTWKUNHWSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000309583199 490358425 /nfs/dbraw/zinc/35/84/25/490358425.db2.gz UGFROGFRMDDHQU-IUCAKERBSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000309583200 490358058 /nfs/dbraw/zinc/35/80/58/490358058.db2.gz UGFROGFRMDDHQU-RKDXNWHRSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000309583551 370233150 /nfs/dbraw/zinc/23/31/50/370233150.db2.gz UKWYNEDFLOABEZ-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000309583552 370233211 /nfs/dbraw/zinc/23/32/11/370233211.db2.gz UKWYNEDFLOABEZ-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000309583653 490358448 /nfs/dbraw/zinc/35/84/48/490358448.db2.gz UPJBNLIMBRCWAD-WCBMZHEXSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000309583656 490358458 /nfs/dbraw/zinc/35/84/58/490358458.db2.gz UPJBNLIMBRCWAD-WPRPVWTQSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C1(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000309584806 490358036 /nfs/dbraw/zinc/35/80/36/490358036.db2.gz UYLZBTBOYIWTJG-MBTKJCJQSA-N 2 0 209.293 -0.408 20 0 BBADRP C[C@H](C[NH3+])NC(=O)c1csc(CC[NH3+])n1 ZINC000309585235 326161983 /nfs/dbraw/zinc/16/19/83/326161983.db2.gz VBLKFEBLAIKQMF-ZCFIWIBFSA-N 2 0 228.321 -0.279 20 0 BBADRP [NH3+]C1(C(=O)NCC2C[NH2+]C2)CCCCC1 ZINC000309587676 490358414 /nfs/dbraw/zinc/35/84/14/490358414.db2.gz WTIVFHGUVQUYQN-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]C[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000309588853 326160991 /nfs/dbraw/zinc/16/09/91/326160991.db2.gz XUCBSPQOJOTNSL-LLVKDONJSA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000309588854 326161096 /nfs/dbraw/zinc/16/10/96/326161096.db2.gz XUCBSPQOJOTNSL-NSHDSACASA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000309590744 370233437 /nfs/dbraw/zinc/23/34/37/370233437.db2.gz ZCWYCVHQHXCGAK-ATZCPNFKSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000309590747 370232706 /nfs/dbraw/zinc/23/27/06/370232706.db2.gz ZCWYCVHQHXCGAK-IQJOONFLSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000309590749 370232909 /nfs/dbraw/zinc/23/29/09/370232909.db2.gz ZCWYCVHQHXCGAK-NGZCFLSTSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000309590752 370233240 /nfs/dbraw/zinc/23/32/40/370233240.db2.gz ZCWYCVHQHXCGAK-QXEWZRGKSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000309591376 342716126 /nfs/dbraw/zinc/71/61/26/342716126.db2.gz ZNYKJURKVMDTBP-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309591447 181366209 /nfs/dbraw/zinc/36/62/09/181366209.db2.gz ZSNAXYMXBGMMLS-LLVKDONJSA-N 2 0 211.309 -0.063 20 0 BBADRP [NH3+]CCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309591448 181366251 /nfs/dbraw/zinc/36/62/51/181366251.db2.gz ZSNAXYMXBGMMLS-NSHDSACASA-N 2 0 211.309 -0.063 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000309591449 411179094 /nfs/dbraw/zinc/17/90/94/411179094.db2.gz ZSOHTVUJDTWGAK-QCLAVDOMSA-N 2 0 209.293 -0.695 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000309591450 411179365 /nfs/dbraw/zinc/17/93/65/411179365.db2.gz ZSOHTVUJDTWGAK-RGOKHQFPSA-N 2 0 209.293 -0.695 20 0 BBADRP O=C(C[C@H]1CC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000309593742 411179415 /nfs/dbraw/zinc/17/94/15/411179415.db2.gz TWUGMIAEJMCVMA-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@@H]1CC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000309593750 411179237 /nfs/dbraw/zinc/17/92/37/411179237.db2.gz TWUGMIAEJMCVMA-VIFPVBQESA-N 2 0 211.309 -0.146 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309594609 358881846 /nfs/dbraw/zinc/88/18/46/358881846.db2.gz IAKMUOIYAHVWQL-LLVKDONJSA-N 3 0 213.325 -0.353 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000309594613 358881650 /nfs/dbraw/zinc/88/16/50/358881650.db2.gz IAKMUOIYAHVWQL-NSHDSACASA-N 3 0 213.325 -0.353 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000309594658 342729580 /nfs/dbraw/zinc/72/95/80/342729580.db2.gz UEHQTIBXKOEGBT-GUBZILKMSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000309594659 342729477 /nfs/dbraw/zinc/72/94/77/342729477.db2.gz UEHQTIBXKOEGBT-KXUCPTDWSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000309594662 342729535 /nfs/dbraw/zinc/72/95/35/342729535.db2.gz UEHQTIBXKOEGBT-LPEHRKFASA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000309594664 342729770 /nfs/dbraw/zinc/72/97/70/342729770.db2.gz UEHQTIBXKOEGBT-UTLUCORTSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc[nH]n2)CC1 ZINC000309598651 385728361 /nfs/dbraw/zinc/72/83/61/385728361.db2.gz WZULUJSIBDRACF-UHFFFAOYSA-N 2 0 224.308 -0.044 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309600864 173327986 /nfs/dbraw/zinc/32/79/86/173327986.db2.gz WMANNCXGUNGZEI-LLVKDONJSA-N 2 0 211.309 -0.192 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309600865 173328186 /nfs/dbraw/zinc/32/81/86/173328186.db2.gz WMANNCXGUNGZEI-NSHDSACASA-N 2 0 211.309 -0.192 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000309601645 411183161 /nfs/dbraw/zinc/18/31/61/411183161.db2.gz KFFNCSIIOPBPOF-RNFRBKRXSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000309601646 411183609 /nfs/dbraw/zinc/18/36/09/411183609.db2.gz KFFNCSIIOPBPOF-RQJHMYQMSA-N 2 0 221.251 -0.305 20 0 BBADRP [NH3+]CCc1ccc(CNC(=O)C[NH3+])cc1 ZINC000309603955 633969361 /nfs/dbraw/zinc/96/93/61/633969361.db2.gz KSPMZWZPVJJFMY-UHFFFAOYSA-N 2 0 207.277 -0.237 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000309604809 491120448 /nfs/dbraw/zinc/12/04/48/491120448.db2.gz KYKVACKVSYCBEE-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000309604810 491120463 /nfs/dbraw/zinc/12/04/63/491120463.db2.gz KYKVACKVSYCBEE-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000309604811 491120461 /nfs/dbraw/zinc/12/04/61/491120461.db2.gz KYKVACKVSYCBEE-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000309604813 491120446 /nfs/dbraw/zinc/12/04/46/491120446.db2.gz KYKVACKVSYCBEE-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP O=C(N1CCC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000309605630 633209071 /nfs/dbraw/zinc/20/90/71/633209071.db2.gz XTIRIAYORWBNRC-JTQLQIEISA-N 2 0 215.272 -0.490 20 0 BBADRP O=C(N1CCC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000309605632 633210286 /nfs/dbraw/zinc/21/02/86/633210286.db2.gz XTIRIAYORWBNRC-SNVBAGLBSA-N 2 0 215.272 -0.490 20 0 BBADRP [NH3+]C1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCC1 ZINC000309605952 410968777 /nfs/dbraw/zinc/96/87/77/410968777.db2.gz LFCWOXOJQDTZPO-BRPSZJMVSA-N 2 0 209.293 -0.551 20 0 BBADRP Nc1ccc(NC(=O)COCC[NH3+])cn1 ZINC000309609009 490359694 /nfs/dbraw/zinc/35/96/94/490359694.db2.gz MEERHVSUZZNKOC-UHFFFAOYSA-N 2 0 210.237 -0.422 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000309611573 411185543 /nfs/dbraw/zinc/18/55/43/411185543.db2.gz MVPNRDWOJGYEJF-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000309611578 411185558 /nfs/dbraw/zinc/18/55/58/411185558.db2.gz MVPNRDWOJGYEJF-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000309611582 175794870 /nfs/dbraw/zinc/79/48/70/175794870.db2.gz MVPNRDWOJGYEJF-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000309611586 411185408 /nfs/dbraw/zinc/18/54/08/411185408.db2.gz MVPNRDWOJGYEJF-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309612224 398104938 /nfs/dbraw/zinc/10/49/38/398104938.db2.gz MXBNBFXRNZJGLD-GHMZBOCLSA-N 3 0 213.325 -0.497 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309612229 398104830 /nfs/dbraw/zinc/10/48/30/398104830.db2.gz MXBNBFXRNZJGLD-MNOVXSKESA-N 3 0 213.325 -0.497 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309612234 398104980 /nfs/dbraw/zinc/10/49/80/398104980.db2.gz MXBNBFXRNZJGLD-QWRGUYRKSA-N 3 0 213.325 -0.497 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309612241 398105053 /nfs/dbraw/zinc/10/50/53/398105053.db2.gz MXBNBFXRNZJGLD-WDEREUQCSA-N 3 0 213.325 -0.497 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000309613025 323433071 /nfs/dbraw/zinc/43/30/71/323433071.db2.gz DBZNXLNFKBEIJJ-SECBINFHSA-N 2 0 213.325 -0.042 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000309613029 398104912 /nfs/dbraw/zinc/10/49/12/398104912.db2.gz DBZNXLNFKBEIJJ-VIFPVBQESA-N 2 0 213.325 -0.042 20 0 BBADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000309616317 385743675 /nfs/dbraw/zinc/74/36/75/385743675.db2.gz NZISQIOLTNFYAK-AATLWQCWSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000309616324 385745233 /nfs/dbraw/zinc/74/52/33/385745233.db2.gz NZISQIOLTNFYAK-AXTSPUMRSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000309616329 385743997 /nfs/dbraw/zinc/74/39/97/385743997.db2.gz NZISQIOLTNFYAK-QEYWKRMJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000309616333 385744621 /nfs/dbraw/zinc/74/46/21/385744621.db2.gz NZISQIOLTNFYAK-XKNYDFJKSA-N 2 0 211.309 -0.081 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000309617703 383885482 /nfs/dbraw/zinc/88/54/82/383885482.db2.gz FSZHMIOXXDBITN-JTQLQIEISA-N 2 0 209.293 -0.226 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000309617704 322964042 /nfs/dbraw/zinc/96/40/42/322964042.db2.gz FSZHMIOXXDBITN-SNVBAGLBSA-N 2 0 209.293 -0.226 20 0 BBADRP O=C(C[NH2+]C1CC1)NCC[C@H]1CC[NH2+]C1 ZINC000309619219 342753528 /nfs/dbraw/zinc/75/35/28/342753528.db2.gz GLMHAWUBPHTPID-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[NH2+]C1CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000309619220 342753566 /nfs/dbraw/zinc/75/35/66/342753566.db2.gz GLMHAWUBPHTPID-VIFPVBQESA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309619666 342753573 /nfs/dbraw/zinc/75/35/73/342753573.db2.gz GORAFLOFOCPCLA-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309619668 342753458 /nfs/dbraw/zinc/75/34/58/342753458.db2.gz GORAFLOFOCPCLA-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309619670 342753586 /nfs/dbraw/zinc/75/35/86/342753586.db2.gz GORAFLOFOCPCLA-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309619671 342753465 /nfs/dbraw/zinc/75/34/65/342753465.db2.gz GORAFLOFOCPCLA-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC1C[NH2+]C1 ZINC000309620885 182019288 /nfs/dbraw/zinc/01/92/88/182019288.db2.gz HBRMLRXIWNKFPL-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]CC1)NC1C[NH2+]C1 ZINC000309620887 182028021 /nfs/dbraw/zinc/02/80/21/182028021.db2.gz HBRMLRXIWNKFPL-VIFPVBQESA-N 2 0 211.309 -0.146 20 0 BBADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000309621250 411188475 /nfs/dbraw/zinc/18/84/75/411188475.db2.gz PCZOWAFERXRPTG-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000309621251 411188102 /nfs/dbraw/zinc/18/81/02/411188102.db2.gz PCZOWAFERXRPTG-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000309621478 181350276 /nfs/dbraw/zinc/35/02/76/181350276.db2.gz PEUBONRVNLITSB-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000309621484 181349810 /nfs/dbraw/zinc/34/98/10/181349810.db2.gz PEUBONRVNLITSB-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000309621492 181350312 /nfs/dbraw/zinc/35/03/12/181350312.db2.gz PEUBONRVNLITSB-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000309622002 181349307 /nfs/dbraw/zinc/34/93/07/181349307.db2.gz PEUBONRVNLITSB-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000309623057 342759645 /nfs/dbraw/zinc/75/96/45/342759645.db2.gz HZNLJYSOTBAPLA-DTWKUNHWSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000309625397 173351783 /nfs/dbraw/zinc/35/17/83/173351783.db2.gz IUBBXRZCYKTFSL-GXSJLCMTSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000309625398 173352233 /nfs/dbraw/zinc/35/22/33/173352233.db2.gz IUBBXRZCYKTFSL-KOLCDFICSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000309625399 173352050 /nfs/dbraw/zinc/35/20/50/173352050.db2.gz IUBBXRZCYKTFSL-MWLCHTKSSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000309625400 173351753 /nfs/dbraw/zinc/35/17/53/173351753.db2.gz IUBBXRZCYKTFSL-ONGXEEELSA-N 2 0 211.309 -0.336 20 0 BBADRP [NH3+]CCOCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309625932 411188482 /nfs/dbraw/zinc/18/84/82/411188482.db2.gz QDLNAEULIBMISP-SECBINFHSA-N 2 0 215.297 -0.780 20 0 BBADRP [NH3+]CCOCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309625933 411188170 /nfs/dbraw/zinc/18/81/70/411188170.db2.gz QDLNAEULIBMISP-VIFPVBQESA-N 2 0 215.297 -0.780 20 0 BBADRP C[NH2+]CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309629196 358950096 /nfs/dbraw/zinc/95/00/96/358950096.db2.gz JZDYQAMQOHVJFB-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000309629200 358950168 /nfs/dbraw/zinc/95/01/68/358950168.db2.gz JZDYQAMQOHVJFB-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000309630309 370236335 /nfs/dbraw/zinc/23/63/35/370236335.db2.gz KDWUKFGYTRKWDA-AEJSXWLSSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000309630311 370236114 /nfs/dbraw/zinc/23/61/14/370236114.db2.gz KDWUKFGYTRKWDA-GUBZILKMSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000309630313 370236296 /nfs/dbraw/zinc/23/62/96/370236296.db2.gz KDWUKFGYTRKWDA-IVZWLZJFSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000309630315 370236221 /nfs/dbraw/zinc/23/62/21/370236221.db2.gz KDWUKFGYTRKWDA-LPEHRKFASA-N 2 0 213.325 -0.044 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000309632640 383889644 /nfs/dbraw/zinc/88/96/44/383889644.db2.gz LCSAZOGIUURZPZ-UWVGGRQHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000309632641 383887668 /nfs/dbraw/zinc/88/76/68/383887668.db2.gz LCSAZOGIUURZPZ-ZJUUUORDSA-N 2 0 211.309 -0.146 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309633220 633978575 /nfs/dbraw/zinc/97/85/75/633978575.db2.gz LJKJRCYNVNPRQQ-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309633221 632594991 /nfs/dbraw/zinc/59/49/91/632594991.db2.gz LJKJRCYNVNPRQQ-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309633222 633977686 /nfs/dbraw/zinc/97/76/86/633977686.db2.gz LJKJRCYNVNPRQQ-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309633223 632595515 /nfs/dbraw/zinc/59/55/15/632595515.db2.gz LJKJRCYNVNPRQQ-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[NH2+]1 ZINC000309633834 488003147 /nfs/dbraw/zinc/00/31/47/488003147.db2.gz LSIUTOCOJJFZNW-BDAKNGLRSA-N 2 0 209.293 -0.393 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[NH2+]1 ZINC000309633835 488003357 /nfs/dbraw/zinc/00/33/57/488003357.db2.gz LSIUTOCOJJFZNW-RKDXNWHRSA-N 2 0 209.293 -0.393 20 0 BBADRP CC[NH2+]CCCNC(=O)COC1C[NH2+]C1 ZINC000309635123 387953056 /nfs/dbraw/zinc/95/30/56/387953056.db2.gz MBNDNFSGNJATGG-UHFFFAOYSA-N 2 0 215.297 -0.909 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000309636090 488004064 /nfs/dbraw/zinc/00/40/64/488004064.db2.gz MKVWTUVBNPDYGC-BDAKNGLRSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000309636091 488004135 /nfs/dbraw/zinc/00/41/35/488004135.db2.gz MKVWTUVBNPDYGC-RKDXNWHRSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C[NH2+]CC1CC1 ZINC000309636134 370237582 /nfs/dbraw/zinc/23/75/82/370237582.db2.gz MNOGYPWNOCMGMK-SECBINFHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C[NH2+]CC1CC1 ZINC000309636135 370237607 /nfs/dbraw/zinc/23/76/07/370237607.db2.gz MNOGYPWNOCMGMK-VIFPVBQESA-N 2 0 213.325 -0.042 20 0 BBADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000309638485 386019678 /nfs/dbraw/zinc/01/96/78/386019678.db2.gz NTBQFCBCAHQCJB-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000309638486 488004555 /nfs/dbraw/zinc/00/45/55/488004555.db2.gz NTBQFCBCAHQCJB-UWVGGRQHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000309638487 385761410 /nfs/dbraw/zinc/76/14/10/385761410.db2.gz NTBQFCBCAHQCJB-VHSXEESVSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000309638488 488004144 /nfs/dbraw/zinc/00/41/44/488004144.db2.gz NTBQFCBCAHQCJB-ZJUUUORDSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000309640612 387951210 /nfs/dbraw/zinc/95/12/10/387951210.db2.gz OJHUTMNMUILEQI-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000309640615 387951900 /nfs/dbraw/zinc/95/19/00/387951900.db2.gz OJHUTMNMUILEQI-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCN(C)C(=O)CCOC1C[NH2+]C1 ZINC000309643121 342775086 /nfs/dbraw/zinc/77/50/86/342775086.db2.gz PFYDGZLGKBCAAV-UHFFFAOYSA-N 2 0 215.297 -0.957 20 0 BBADRP [NH3+]CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000309644093 488010912 /nfs/dbraw/zinc/01/09/12/488010912.db2.gz VLZRYZLJDFLUMP-SSDOTTSWSA-N 2 0 221.251 -0.304 20 0 BBADRP [NH3+]CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000309644095 488011102 /nfs/dbraw/zinc/01/11/02/488011102.db2.gz VLZRYZLJDFLUMP-ZETCQYMHSA-N 2 0 221.251 -0.304 20 0 BBADRP [NH3+]CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000309644230 181366233 /nfs/dbraw/zinc/36/62/33/181366233.db2.gz VONSPXGITZOATN-AEJSXWLSSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000309644233 181366466 /nfs/dbraw/zinc/36/64/66/181366466.db2.gz VONSPXGITZOATN-GUBZILKMSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000309644236 181366372 /nfs/dbraw/zinc/36/63/72/181366372.db2.gz VONSPXGITZOATN-IVZWLZJFSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000309644239 181366575 /nfs/dbraw/zinc/36/65/75/181366575.db2.gz VONSPXGITZOATN-LPEHRKFASA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000309648171 488010822 /nfs/dbraw/zinc/01/08/22/488010822.db2.gz WTYBXKNJDWENSY-BDAKNGLRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000309648172 488011419 /nfs/dbraw/zinc/01/14/19/488011419.db2.gz WTYBXKNJDWENSY-RKDXNWHRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000309648341 488011431 /nfs/dbraw/zinc/01/14/31/488011431.db2.gz RIZGULNQTKXCJO-DTWKUNHWSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000309648342 488010978 /nfs/dbraw/zinc/01/09/78/488010978.db2.gz RIZGULNQTKXCJO-IUCAKERBSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000309650717 488010844 /nfs/dbraw/zinc/01/08/44/488010844.db2.gz SPJKIQGIOBPULY-SSDOTTSWSA-N 2 0 221.251 -0.433 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000309650718 488010625 /nfs/dbraw/zinc/01/06/25/488010625.db2.gz SPJKIQGIOBPULY-ZETCQYMHSA-N 2 0 221.251 -0.433 20 0 BBADRP [NH3+]CCOCC(=O)NC1(C[NH3+])CCCC1 ZINC000309651568 488026832 /nfs/dbraw/zinc/02/68/32/488026832.db2.gz YBHCHYCSTMYYMH-UHFFFAOYSA-N 2 0 215.297 -0.651 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCC[NH2+]C1 ZINC000309653405 182345423 /nfs/dbraw/zinc/34/54/23/182345423.db2.gz URUZUZDSIVJJQV-AXTSPUMRSA-N 2 0 209.293 -0.680 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000309653410 182345259 /nfs/dbraw/zinc/34/52/59/182345259.db2.gz URUZUZDSIVJJQV-IMSYWVGJSA-N 2 0 209.293 -0.680 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000309655214 633984945 /nfs/dbraw/zinc/98/49/45/633984945.db2.gz VFUYDMXTNMCEJY-LLVKDONJSA-N 2 0 211.309 -0.192 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000309655215 633220162 /nfs/dbraw/zinc/22/01/62/633220162.db2.gz VFUYDMXTNMCEJY-NSHDSACASA-N 2 0 211.309 -0.192 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000309655931 411195350 /nfs/dbraw/zinc/19/53/50/411195350.db2.gz VQHDLGHVHDVFLU-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000309656692 411195604 /nfs/dbraw/zinc/19/56/04/411195604.db2.gz ZODJBVDEWJWKEN-WCBMZHEXSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000309656693 411195682 /nfs/dbraw/zinc/19/56/82/411195682.db2.gz ZODJBVDEWJWKEN-WPRPVWTQSA-N 2 0 211.309 -0.161 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000309656820 370241468 /nfs/dbraw/zinc/24/14/68/370241468.db2.gz WFDHLPCPVDSGAN-NXEZZACHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000309656821 370240978 /nfs/dbraw/zinc/24/09/78/370240978.db2.gz WFDHLPCPVDSGAN-UWVGGRQHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000309656822 370241038 /nfs/dbraw/zinc/24/10/38/370241038.db2.gz WFDHLPCPVDSGAN-VHSXEESVSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000309656823 370240627 /nfs/dbraw/zinc/24/06/27/370240627.db2.gz WFDHLPCPVDSGAN-ZJUUUORDSA-N 2 0 213.325 -0.042 20 0 BBADRP [NH3+]C1(CNC(=O)C[C@@H]2CC[NH2+]C2)CCC1 ZINC000309657049 410974257 /nfs/dbraw/zinc/97/42/57/410974257.db2.gz ZQUPHRXHUHFVQR-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP C[NH2+]CCCNC(=O)CCOC1C[NH2+]C1 ZINC000309657211 342776780 /nfs/dbraw/zinc/77/67/80/342776780.db2.gz WKPFOJVUWLZTTB-UHFFFAOYSA-N 2 0 215.297 -0.909 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309660001 370240699 /nfs/dbraw/zinc/24/06/99/370240699.db2.gz ARDHXCCYMLFCAY-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309660002 370240693 /nfs/dbraw/zinc/24/06/93/370240693.db2.gz ARDHXCCYMLFCAY-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC1CC[NH2+]CC1 ZINC000309661387 388006948 /nfs/dbraw/zinc/00/69/48/388006948.db2.gz YCOJJKRKJHQNJA-JTQLQIEISA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC1CC[NH2+]CC1 ZINC000309661388 388007231 /nfs/dbraw/zinc/00/72/31/388007231.db2.gz YCOJJKRKJHQNJA-SNVBAGLBSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000309664129 259376913 /nfs/dbraw/zinc/37/69/13/259376913.db2.gz ZPIIOVAPHNGCTP-IVZWLZJFSA-N 2 0 213.325 -0.186 20 0 BBADRP CCOCC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309679894 491154160 /nfs/dbraw/zinc/15/41/60/491154160.db2.gz ZFOQSVWPBVTQLB-SRVKXCTJSA-N 2 0 228.336 -0.075 20 0 BBADRP CCOCC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309679897 491154133 /nfs/dbraw/zinc/15/41/33/491154133.db2.gz ZFOQSVWPBVTQLB-UTUOFQBUSA-N 2 0 228.336 -0.075 20 0 BBADRP C[C@H](CCO)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000309728362 632661435 /nfs/dbraw/zinc/66/14/35/632661435.db2.gz DRUSZNIFXIJKKV-GFCCVEGCSA-N 2 0 229.368 -0.016 20 0 BBADRP C[C@@H](CCO)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000309728364 633234361 /nfs/dbraw/zinc/23/43/61/633234361.db2.gz DRUSZNIFXIJKKV-LBPRGKRZSA-N 2 0 229.368 -0.016 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)COCC[NH3+] ZINC000309731229 411219131 /nfs/dbraw/zinc/21/91/31/411219131.db2.gz BFBCOQZBIDWTES-UHFFFAOYSA-N 2 0 217.313 -0.534 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000309731645 387131763 /nfs/dbraw/zinc/13/17/63/387131763.db2.gz BGPLCWZXXDVGSH-RNFRBKRXSA-N 2 0 221.251 -0.211 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000309731646 347150310 /nfs/dbraw/zinc/15/03/10/347150310.db2.gz BGPLCWZXXDVGSH-RQJHMYQMSA-N 2 0 221.251 -0.211 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309745544 342846598 /nfs/dbraw/zinc/84/65/98/342846598.db2.gz FLAMNATWFXBCIY-DTWKUNHWSA-N 2 0 215.297 -0.844 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309745545 342846578 /nfs/dbraw/zinc/84/65/78/342846578.db2.gz FLAMNATWFXBCIY-RKDXNWHRSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000309751634 387133446 /nfs/dbraw/zinc/13/34/46/387133446.db2.gz GWFHYPLDEHJSLC-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000309751636 323455172 /nfs/dbraw/zinc/45/51/72/323455172.db2.gz GWFHYPLDEHJSLC-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000309751638 387133417 /nfs/dbraw/zinc/13/34/17/387133417.db2.gz GWFHYPLDEHJSLC-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000309751640 323455193 /nfs/dbraw/zinc/45/51/93/323455193.db2.gz GWFHYPLDEHJSLC-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C)S(=O)(=O)CCC[N@H+](C)CCC[NH3+] ZINC000309766566 410977850 /nfs/dbraw/zinc/97/78/50/410977850.db2.gz JPAYBBUEEKCPNM-UHFFFAOYSA-N 2 0 237.369 -0.452 20 0 BBADRP COC[C@]1(CNC(=O)[C@H](C)[NH3+])CCC[NH2+]1 ZINC000309767023 370257112 /nfs/dbraw/zinc/25/71/12/370257112.db2.gz JPVPWRCMIOQVDI-WCBMZHEXSA-N 2 0 215.297 -0.782 20 0 BBADRP COC[C@@]1(CNC(=O)[C@H](C)[NH3+])CCC[NH2+]1 ZINC000309767024 370256941 /nfs/dbraw/zinc/25/69/41/370256941.db2.gz JPVPWRCMIOQVDI-WPRPVWTQSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000309767426 384595553 /nfs/dbraw/zinc/59/55/53/384595553.db2.gz JSMPPYDLMBAXHR-FXPVBKGRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000309767431 384595798 /nfs/dbraw/zinc/59/57/98/384595798.db2.gz JSMPPYDLMBAXHR-KKZNHRDASA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000309767436 384596298 /nfs/dbraw/zinc/59/62/98/384596298.db2.gz JSMPPYDLMBAXHR-WCABBAIRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000309767439 384595588 /nfs/dbraw/zinc/59/55/88/384595588.db2.gz JSMPPYDLMBAXHR-YWVKMMECSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1CN(C(=O)COCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000309771440 411230805 /nfs/dbraw/zinc/23/08/05/411230805.db2.gz KNZWJYPDXLSPAJ-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)COCC[NH3+] ZINC000309771441 411230986 /nfs/dbraw/zinc/23/09/86/411230986.db2.gz KNZWJYPDXLSPAJ-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]1CN(C(=O)COCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000309771442 411230819 /nfs/dbraw/zinc/23/08/19/411230819.db2.gz KNZWJYPDXLSPAJ-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]1CN(C(=O)COCC[NH3+])[C@H](C)C[NH2+]1 ZINC000309771443 411230716 /nfs/dbraw/zinc/23/07/16/411230716.db2.gz KNZWJYPDXLSPAJ-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000309771788 411231119 /nfs/dbraw/zinc/23/11/19/411231119.db2.gz KQMQRXSZZCQWME-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000309771789 411231022 /nfs/dbraw/zinc/23/10/22/411231022.db2.gz KQMQRXSZZCQWME-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000309771790 411231009 /nfs/dbraw/zinc/23/10/09/411231009.db2.gz KQMQRXSZZCQWME-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000309771791 411230950 /nfs/dbraw/zinc/23/09/50/411230950.db2.gz KQMQRXSZZCQWME-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000309777288 488189255 /nfs/dbraw/zinc/18/92/55/488189255.db2.gz LZNBCFGOELWUHS-QMMMGPOBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000309782733 342898221 /nfs/dbraw/zinc/89/82/21/342898221.db2.gz NHDQDQWALKPPEF-BDAKNGLRSA-N 2 0 231.365 -0.113 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000309782734 342898355 /nfs/dbraw/zinc/89/83/55/342898355.db2.gz NHDQDQWALKPPEF-IUCAKERBSA-N 2 0 231.365 -0.113 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000309784522 342897384 /nfs/dbraw/zinc/89/73/84/342897384.db2.gz NQTVSJXABHJHKV-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000309784523 342897292 /nfs/dbraw/zinc/89/72/92/342897292.db2.gz NQTVSJXABHJHKV-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000309784525 342897203 /nfs/dbraw/zinc/89/72/03/342897203.db2.gz NQTVSJXABHJHKV-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000309784526 342897340 /nfs/dbraw/zinc/89/73/40/342897340.db2.gz NQTVSJXABHJHKV-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000309790963 259377523 /nfs/dbraw/zinc/37/75/23/259377523.db2.gz PFIMAMUWZQJCNG-IUCAKERBSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[NH2+]C1CC1 ZINC000309792717 259377607 /nfs/dbraw/zinc/37/76/07/259377607.db2.gz PPAYCBJDYAZHBU-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C[NH2+]C1CC1 ZINC000309792720 259377556 /nfs/dbraw/zinc/37/75/56/259377556.db2.gz PPAYCBJDYAZHBU-DTWKUNHWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C[NH2+]C1CC1 ZINC000309792722 259377529 /nfs/dbraw/zinc/37/75/29/259377529.db2.gz PPAYCBJDYAZHBU-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[NH2+]C1CC1 ZINC000309792724 259377610 /nfs/dbraw/zinc/37/76/10/259377610.db2.gz PPAYCBJDYAZHBU-RKDXNWHRSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000309793643 634010026 /nfs/dbraw/zinc/01/00/26/634010026.db2.gz PSLZPGODUHHUMR-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000309793646 632669564 /nfs/dbraw/zinc/66/95/64/632669564.db2.gz PSLZPGODUHHUMR-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000309793650 634009884 /nfs/dbraw/zinc/00/98/84/634009884.db2.gz PSLZPGODUHHUMR-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000309793654 633745676 /nfs/dbraw/zinc/74/56/76/633745676.db2.gz PSLZPGODUHHUMR-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309808008 370263436 /nfs/dbraw/zinc/26/34/36/370263436.db2.gz SPYNILBEVZSRAU-BDAKNGLRSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309808009 370263815 /nfs/dbraw/zinc/26/38/15/370263815.db2.gz SPYNILBEVZSRAU-DTWKUNHWSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000309808010 370263489 /nfs/dbraw/zinc/26/34/89/370263489.db2.gz SPYNILBEVZSRAU-IUCAKERBSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000309808011 370263701 /nfs/dbraw/zinc/26/37/01/370263701.db2.gz SPYNILBEVZSRAU-RKDXNWHRSA-N 2 0 215.297 -0.972 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)COC1(C)C[NH2+]C1 ZINC000309817348 411258762 /nfs/dbraw/zinc/25/87/62/411258762.db2.gz VNFXNCHWPHWSCU-MRVPVSSYSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)COC1(C)C[NH2+]C1 ZINC000309817350 411258811 /nfs/dbraw/zinc/25/88/11/411258811.db2.gz VNFXNCHWPHWSCU-QMMMGPOBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000309818217 411258778 /nfs/dbraw/zinc/25/87/78/411258778.db2.gz CPWKIMZHLSYUHM-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000309818227 411258931 /nfs/dbraw/zinc/25/89/31/411258931.db2.gz CPWKIMZHLSYUHM-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309821271 411260071 /nfs/dbraw/zinc/26/00/71/411260071.db2.gz FNUCDJWATHNCIF-AEJSXWLSSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309821272 411259518 /nfs/dbraw/zinc/25/95/18/411259518.db2.gz FNUCDJWATHNCIF-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@]1(CN2CCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000309822382 323667204 /nfs/dbraw/zinc/66/72/04/323667204.db2.gz WPPLJDRZENLPIS-GHMZBOCLSA-N 2 0 213.325 -0.355 20 0 BBADRP C[C@]1(CN2CCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000309822384 387569209 /nfs/dbraw/zinc/56/92/09/387569209.db2.gz WPPLJDRZENLPIS-MNOVXSKESA-N 2 0 213.325 -0.355 20 0 BBADRP C[C@]1(CN2CCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000309822386 387569871 /nfs/dbraw/zinc/56/98/71/387569871.db2.gz WPPLJDRZENLPIS-QWRGUYRKSA-N 2 0 213.325 -0.355 20 0 BBADRP C[C@@]1(CN2CCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000309822389 387569370 /nfs/dbraw/zinc/56/93/70/387569370.db2.gz WPPLJDRZENLPIS-WDEREUQCSA-N 2 0 213.325 -0.355 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000309822932 633786852 /nfs/dbraw/zinc/78/68/52/633786852.db2.gz WTYBXKNJDWENSY-DTWKUNHWSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000309822933 633786262 /nfs/dbraw/zinc/78/62/62/633786262.db2.gz WTYBXKNJDWENSY-IUCAKERBSA-N 2 0 211.309 -0.161 20 0 BBADRP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[C@H]1[NH3+] ZINC000309826083 411260793 /nfs/dbraw/zinc/26/07/93/411260793.db2.gz XKCXECOJAZFOJO-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[C@@H]1[NH3+] ZINC000309826085 411260453 /nfs/dbraw/zinc/26/04/53/411260453.db2.gz XKCXECOJAZFOJO-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[C@@H]1[NH3+] ZINC000309826087 411261266 /nfs/dbraw/zinc/26/12/66/411261266.db2.gz XKCXECOJAZFOJO-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[C@H]1[NH3+] ZINC000309826088 411261084 /nfs/dbraw/zinc/26/10/84/411261084.db2.gz XKCXECOJAZFOJO-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309829534 411261112 /nfs/dbraw/zinc/26/11/12/411261112.db2.gz JNFAQWCGBKVJQW-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309829535 411261053 /nfs/dbraw/zinc/26/10/53/411261053.db2.gz JNFAQWCGBKVJQW-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309829536 410985078 /nfs/dbraw/zinc/98/50/78/410985078.db2.gz JNFAQWCGBKVJQW-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309829537 411261235 /nfs/dbraw/zinc/26/12/35/411261235.db2.gz JNFAQWCGBKVJQW-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000309831986 411268434 /nfs/dbraw/zinc/26/84/34/411268434.db2.gz YVDVABSRKHBIHW-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000309831987 386034888 /nfs/dbraw/zinc/03/48/88/386034888.db2.gz YVDVABSRKHBIHW-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000309831988 386034536 /nfs/dbraw/zinc/03/45/36/386034536.db2.gz YVDVABSRKHBIHW-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000309831989 411268015 /nfs/dbraw/zinc/26/80/15/411268015.db2.gz YVDVABSRKHBIHW-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000309843560 487726892 /nfs/dbraw/zinc/72/68/92/487726892.db2.gz RIZGULNQTKXCJO-BDAKNGLRSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000309843565 541429700 /nfs/dbraw/zinc/42/97/00/541429700.db2.gz RIZGULNQTKXCJO-RKDXNWHRSA-N 2 0 211.309 -0.195 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000309847117 169259147 /nfs/dbraw/zinc/25/91/47/169259147.db2.gz UZADWCSPRFWDRF-JTQLQIEISA-N 2 0 217.288 -0.196 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000309847120 169259027 /nfs/dbraw/zinc/25/90/27/169259027.db2.gz UZADWCSPRFWDRF-SNVBAGLBSA-N 2 0 217.288 -0.196 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000309848408 347186591 /nfs/dbraw/zinc/18/65/91/347186591.db2.gz WCHMKSZDSZSXJM-VFCFLDTKSA-N 2 0 209.293 -0.824 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000309850030 343065823 /nfs/dbraw/zinc/06/58/23/343065823.db2.gz XCJUWERITAKMRQ-SECBINFHSA-N 2 0 213.325 -0.042 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000309850034 343065910 /nfs/dbraw/zinc/06/59/10/343065910.db2.gz XCJUWERITAKMRQ-VIFPVBQESA-N 2 0 213.325 -0.042 20 0 BBADRP CNC(=O)C[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000309940993 173281752 /nfs/dbraw/zinc/28/17/52/173281752.db2.gz BQCCFQXCUHTKIR-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CNC(=O)C[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000309940997 386344377 /nfs/dbraw/zinc/34/43/77/386344377.db2.gz BQCCFQXCUHTKIR-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000309962950 170038562 /nfs/dbraw/zinc/03/85/62/170038562.db2.gz MFQGMHQGBPJZON-QJPTWQEYSA-N 2 0 229.368 -0.161 20 0 BBADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000309962951 170038863 /nfs/dbraw/zinc/03/88/63/170038863.db2.gz MFQGMHQGBPJZON-SDDRHHMPSA-N 2 0 229.368 -0.161 20 0 BBADRP CC[N@H+]1C[C@H](NC[C@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000309962952 170035200 /nfs/dbraw/zinc/03/52/00/170035200.db2.gz MFQGMHQGBPJZON-SRVKXCTJSA-N 2 0 229.368 -0.161 20 0 BBADRP CC[N@H+]1C[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000309963259 170035686 /nfs/dbraw/zinc/03/56/86/170035686.db2.gz MFQGMHQGBPJZON-TUAOUCFPSA-N 2 0 229.368 -0.161 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000310005325 326179746 /nfs/dbraw/zinc/17/97/46/326179746.db2.gz GKOZWIUKYCDHTB-AEJSXWLSSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000310005329 326179779 /nfs/dbraw/zinc/17/97/79/326179779.db2.gz GKOZWIUKYCDHTB-GUBZILKMSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000310005332 326179304 /nfs/dbraw/zinc/17/93/04/326179304.db2.gz GKOZWIUKYCDHTB-IVZWLZJFSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000310005337 326179121 /nfs/dbraw/zinc/17/91/21/326179121.db2.gz GKOZWIUKYCDHTB-LPEHRKFASA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000310035149 326180611 /nfs/dbraw/zinc/18/06/11/326180611.db2.gz SZJCERPKHJJGPA-BBBLOLIVSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000310035150 326180586 /nfs/dbraw/zinc/18/05/86/326180586.db2.gz SZJCERPKHJJGPA-KXUCPTDWSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000310035151 326180813 /nfs/dbraw/zinc/18/08/13/326180813.db2.gz SZJCERPKHJJGPA-OPRDCNLKSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000310035152 323127532 /nfs/dbraw/zinc/12/75/32/323127532.db2.gz SZJCERPKHJJGPA-UTLUCORTSA-N 2 0 211.309 -0.195 20 0 BBADRP CN(C(=O)COCC[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000310079666 386077610 /nfs/dbraw/zinc/07/76/10/386077610.db2.gz CGLPTJFVKMTMDF-LLVKDONJSA-N 2 0 241.335 -0.486 20 0 BBADRP CN(C(=O)COCC[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000310079667 386078505 /nfs/dbraw/zinc/07/85/05/386078505.db2.gz CGLPTJFVKMTMDF-NSHDSACASA-N 2 0 241.335 -0.486 20 0 BBADRP COCC[C@@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000310129191 370304497 /nfs/dbraw/zinc/30/44/97/370304497.db2.gz HCGZFCRPDAAAPY-CMPLNLGQSA-N 2 0 246.351 -0.572 20 0 BBADRP COCC[C@@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000310129192 370304830 /nfs/dbraw/zinc/30/48/30/370304830.db2.gz HCGZFCRPDAAAPY-JQWIXIFHSA-N 2 0 246.351 -0.572 20 0 BBADRP COCC[C@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000310129193 370304879 /nfs/dbraw/zinc/30/48/79/370304879.db2.gz HCGZFCRPDAAAPY-PWSUYJOCSA-N 2 0 246.351 -0.572 20 0 BBADRP C[NH2+]C[C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310191539 632706549 /nfs/dbraw/zinc/70/65/49/632706549.db2.gz ALSLRXFYVGFPHQ-CHWSQXEVSA-N 2 0 241.379 -0.016 20 0 BBADRP C[NH2+]C[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310191545 635359887 /nfs/dbraw/zinc/35/98/87/635359887.db2.gz ALSLRXFYVGFPHQ-OLZOCXBDSA-N 2 0 241.379 -0.016 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310191550 632706609 /nfs/dbraw/zinc/70/66/09/632706609.db2.gz ALSLRXFYVGFPHQ-QWHCGFSZSA-N 2 0 241.379 -0.016 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310191557 634087483 /nfs/dbraw/zinc/08/74/83/634087483.db2.gz ALSLRXFYVGFPHQ-STQMWFEESA-N 2 0 241.379 -0.016 20 0 BBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000310327563 347265679 /nfs/dbraw/zinc/26/56/79/347265679.db2.gz AYLXJLPWJYXUJE-NWDGAFQWSA-N 2 0 246.351 -0.618 20 0 BBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000310327566 347265212 /nfs/dbraw/zinc/26/52/12/347265212.db2.gz AYLXJLPWJYXUJE-RYUDHWBXSA-N 2 0 246.351 -0.618 20 0 BBADRP C[N@H+](C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000310334956 491161097 /nfs/dbraw/zinc/16/10/97/491161097.db2.gz CMIUJMGNXXWESZ-GVXVVHGQSA-N 2 0 239.363 -0.407 20 0 BBADRP C[N@H+](C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000310334959 491161100 /nfs/dbraw/zinc/16/11/00/491161100.db2.gz CMIUJMGNXXWESZ-LOWVWBTDSA-N 2 0 239.363 -0.407 20 0 BBADRP C[N@H+](C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000310334962 491161081 /nfs/dbraw/zinc/16/10/81/491161081.db2.gz CMIUJMGNXXWESZ-NTZNESFSSA-N 2 0 239.363 -0.407 20 0 BBADRP C[N@H+](C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000310334965 491161086 /nfs/dbraw/zinc/16/10/86/491161086.db2.gz CMIUJMGNXXWESZ-WZRBSPASSA-N 2 0 239.363 -0.407 20 0 BBADRP COCCN(C)C[C@H](O)C[N@H+](C)C[C@@H](C)OC ZINC000310353943 370339146 /nfs/dbraw/zinc/33/91/46/370339146.db2.gz HURARVBLVYFEFN-NEPJUHHUSA-N 2 0 248.367 -0.108 20 0 BBADRP COCCN(C)C[C@@H](O)C[N@H+](C)C[C@H](C)OC ZINC000310353944 370339064 /nfs/dbraw/zinc/33/90/64/370339064.db2.gz HURARVBLVYFEFN-NWDGAFQWSA-N 2 0 248.367 -0.108 20 0 BBADRP COC[C@@]1(C(=O)NCCC[NH+](C)C)CC[NH2+]C1 ZINC000310358977 370338834 /nfs/dbraw/zinc/33/88/34/370338834.db2.gz RXHLXEUXEGTZLB-GFCCVEGCSA-N 2 0 243.351 -0.320 20 0 BBADRP COC[C@]1(C(=O)NCCC[NH+](C)C)CC[NH2+]C1 ZINC000310358978 370338553 /nfs/dbraw/zinc/33/85/53/370338553.db2.gz RXHLXEUXEGTZLB-LBPRGKRZSA-N 2 0 243.351 -0.320 20 0 BBADRP C[N@@H+](CCc1cn[nH]c1)CCN1CC[NH2+]CC1 ZINC000310366120 386180020 /nfs/dbraw/zinc/18/00/20/386180020.db2.gz VOHKTKZYQXZULS-UHFFFAOYSA-N 2 0 237.351 -0.211 20 0 BBADRP O[C@@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)C[NH+]1CCCC1 ZINC000310387950 632733801 /nfs/dbraw/zinc/73/38/01/632733801.db2.gz KMOHDFINYRNKKS-JHJVBQTASA-N 2 0 239.363 -0.406 20 0 BBADRP O[C@@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCCC1 ZINC000310387955 632734196 /nfs/dbraw/zinc/73/41/96/632734196.db2.gz KMOHDFINYRNKKS-RWMBFGLXSA-N 2 0 239.363 -0.406 20 0 BBADRP O[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCCC1 ZINC000310387960 632734091 /nfs/dbraw/zinc/73/40/91/632734091.db2.gz KMOHDFINYRNKKS-XQQFMLRXSA-N 2 0 239.363 -0.406 20 0 BBADRP CC[N@H+](C)C[C@@H](O)Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000310388443 386176785 /nfs/dbraw/zinc/17/67/85/386176785.db2.gz KNAHRWFMZQYFII-NXEZZACHSA-N 2 0 241.339 -0.129 20 0 BBADRP CC[N@H+](C)C[C@H](O)Cn1cc([C@H](C)[NH2+]C)nn1 ZINC000310388445 386176203 /nfs/dbraw/zinc/17/62/03/386176203.db2.gz KNAHRWFMZQYFII-UWVGGRQHSA-N 2 0 241.339 -0.129 20 0 BBADRP CC[N@H+](C)C[C@@H](O)Cn1cc([C@H](C)[NH2+]C)nn1 ZINC000310388447 386176253 /nfs/dbraw/zinc/17/62/53/386176253.db2.gz KNAHRWFMZQYFII-VHSXEESVSA-N 2 0 241.339 -0.129 20 0 BBADRP CC[N@H+](C)C[C@H](O)Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000310388449 386176396 /nfs/dbraw/zinc/17/63/96/386176396.db2.gz KNAHRWFMZQYFII-ZJUUUORDSA-N 2 0 241.339 -0.129 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000310400424 634138822 /nfs/dbraw/zinc/13/88/22/634138822.db2.gz MVZIDOSXWLWMMA-GRYCIOLGSA-N 2 0 245.367 -0.796 20 0 BBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000310405103 259344332 /nfs/dbraw/zinc/34/43/32/259344332.db2.gz NZNQKZSZQUBOJS-NEPJUHHUSA-N 2 0 246.351 -0.618 20 0 BBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000310405104 259344591 /nfs/dbraw/zinc/34/45/91/259344591.db2.gz NZNQKZSZQUBOJS-VXGBXAGGSA-N 2 0 246.351 -0.618 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]([NH3+])C1 ZINC000310412655 632737740 /nfs/dbraw/zinc/73/77/40/632737740.db2.gz PDBVIWYLASODKD-NEPJUHHUSA-N 2 0 245.367 -0.651 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]([NH3+])C1 ZINC000310412657 632739098 /nfs/dbraw/zinc/73/90/98/632739098.db2.gz PDBVIWYLASODKD-NWDGAFQWSA-N 2 0 245.367 -0.651 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]([NH3+])C1 ZINC000310412659 634142630 /nfs/dbraw/zinc/14/26/30/634142630.db2.gz PDBVIWYLASODKD-RYUDHWBXSA-N 2 0 245.367 -0.651 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]([NH3+])C1 ZINC000310412661 632738647 /nfs/dbraw/zinc/73/86/47/632738647.db2.gz PDBVIWYLASODKD-VXGBXAGGSA-N 2 0 245.367 -0.651 20 0 BBADRP CN1CC[NH+]=C1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000310421029 187392914 /nfs/dbraw/zinc/39/29/14/187392914.db2.gz OMCNRNFSHHJEPV-GHMZBOCLSA-N 2 0 238.335 -0.259 20 0 BBADRP CN1CC[NH+]=C1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000310421067 387537919 /nfs/dbraw/zinc/53/79/19/387537919.db2.gz OMCNRNFSHHJEPV-MNOVXSKESA-N 2 0 238.335 -0.259 20 0 BBADRP CN1CC[NH+]=C1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000310421069 187392351 /nfs/dbraw/zinc/39/23/51/187392351.db2.gz OMCNRNFSHHJEPV-QWRGUYRKSA-N 2 0 238.335 -0.259 20 0 BBADRP CN1CC[NH+]=C1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000310421071 387537874 /nfs/dbraw/zinc/53/78/74/387537874.db2.gz OMCNRNFSHHJEPV-WDEREUQCSA-N 2 0 238.335 -0.259 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+][C@@H](C)C1 ZINC000310450364 634148205 /nfs/dbraw/zinc/14/82/05/634148205.db2.gz XWRPNARSTLJHED-NWDGAFQWSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+][C@@H](C)C1 ZINC000310450365 636054523 /nfs/dbraw/zinc/05/45/23/636054523.db2.gz XWRPNARSTLJHED-RYUDHWBXSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[NH2+]CC1 ZINC000310477898 632744821 /nfs/dbraw/zinc/74/48/21/632744821.db2.gz CGNDFGXRJJBTQO-GFCCVEGCSA-N 2 0 245.367 -0.779 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[NH2+]CC1 ZINC000310477899 632744350 /nfs/dbraw/zinc/74/43/50/632744350.db2.gz CGNDFGXRJJBTQO-LBPRGKRZSA-N 2 0 245.367 -0.779 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000310505709 343519146 /nfs/dbraw/zinc/51/91/46/343519146.db2.gz JBSJWMIIDPLAFC-NEPJUHHUSA-N 2 0 246.351 -0.354 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@H]1CCOC1 ZINC000310505714 343519037 /nfs/dbraw/zinc/51/90/37/343519037.db2.gz JBSJWMIIDPLAFC-NWDGAFQWSA-N 2 0 246.351 -0.354 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@H]1CCOC1 ZINC000310505716 343518998 /nfs/dbraw/zinc/51/89/98/343518998.db2.gz JBSJWMIIDPLAFC-RYUDHWBXSA-N 2 0 246.351 -0.354 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@@H]1CCOC1 ZINC000310505718 343518923 /nfs/dbraw/zinc/51/89/23/343518923.db2.gz JBSJWMIIDPLAFC-VXGBXAGGSA-N 2 0 246.351 -0.354 20 0 BBADRP COCCN(C)C[C@@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000310511264 323133108 /nfs/dbraw/zinc/13/31/08/323133108.db2.gz KGJURLLPOHDIQH-NEPJUHHUSA-N 2 0 248.367 -0.372 20 0 BBADRP COCCN(C)C[C@H](O)C[N@H+](C)CC[C@H](C)O ZINC000310511275 323133078 /nfs/dbraw/zinc/13/30/78/323133078.db2.gz KGJURLLPOHDIQH-NWDGAFQWSA-N 2 0 248.367 -0.372 20 0 BBADRP COCCN(C)C[C@@H](O)C[N@H+](C)CC[C@H](C)O ZINC000310511285 323133058 /nfs/dbraw/zinc/13/30/58/323133058.db2.gz KGJURLLPOHDIQH-RYUDHWBXSA-N 2 0 248.367 -0.372 20 0 BBADRP COCCN(C)C[C@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000310511295 323133130 /nfs/dbraw/zinc/13/31/30/323133130.db2.gz KGJURLLPOHDIQH-VXGBXAGGSA-N 2 0 248.367 -0.372 20 0 BBADRP COCCN(CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310522844 174294008 /nfs/dbraw/zinc/29/40/08/174294008.db2.gz UWVHOZODQLXKPD-GFCCVEGCSA-N 2 0 246.351 -0.618 20 0 BBADRP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310533224 488099287 /nfs/dbraw/zinc/09/92/87/488099287.db2.gz OOMLTGIXSRKYJX-FRRDWIJNSA-N 2 0 241.379 -0.161 20 0 BBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310533225 488099917 /nfs/dbraw/zinc/09/99/17/488099917.db2.gz OOMLTGIXSRKYJX-XQQFMLRXSA-N 2 0 241.379 -0.161 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]C[C@H]1C ZINC000310549259 632756197 /nfs/dbraw/zinc/75/61/97/632756197.db2.gz TZHUUBMYFMPEAQ-NEPJUHHUSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@@H]1C ZINC000310549260 634159337 /nfs/dbraw/zinc/15/93/37/634159337.db2.gz TZHUUBMYFMPEAQ-NWDGAFQWSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]C[C@@H]1C ZINC000310549261 632756152 /nfs/dbraw/zinc/75/61/52/632756152.db2.gz TZHUUBMYFMPEAQ-RYUDHWBXSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@H]1C ZINC000310549262 632756690 /nfs/dbraw/zinc/75/66/90/632756690.db2.gz TZHUUBMYFMPEAQ-VXGBXAGGSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+][C@H](C)C1 ZINC000310566807 632759787 /nfs/dbraw/zinc/75/97/87/632759787.db2.gz XWRPNARSTLJHED-NEPJUHHUSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+][C@H](C)C1 ZINC000310566808 634163687 /nfs/dbraw/zinc/16/36/87/634163687.db2.gz XWRPNARSTLJHED-VXGBXAGGSA-N 2 0 245.367 -0.781 20 0 BBADRP NC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310570585 343537019 /nfs/dbraw/zinc/53/70/19/343537019.db2.gz NUROXNPVVKTZGC-DTORHVGOSA-N 2 0 240.307 -0.887 20 0 BBADRP c1cnn(CC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000311038493 259345015 /nfs/dbraw/zinc/34/50/15/259345015.db2.gz YUPPQFLLEXPVNQ-CYBMUJFWSA-N 2 0 249.362 -0.137 20 0 BBADRP c1cnn(CC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000311038494 259345075 /nfs/dbraw/zinc/34/50/75/259345075.db2.gz YUPPQFLLEXPVNQ-ZDUSSCGKSA-N 2 0 249.362 -0.137 20 0 BBADRP C[NH+](C)CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000313335963 370579900 /nfs/dbraw/zinc/57/99/00/370579900.db2.gz HQEVLTYPALCJFJ-SECBINFHSA-N 2 0 215.297 -0.876 20 0 BBADRP C[NH+](C)CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000313335964 370579895 /nfs/dbraw/zinc/57/98/95/370579895.db2.gz HQEVLTYPALCJFJ-VIFPVBQESA-N 2 0 215.297 -0.876 20 0 BBADRP CC[C@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313363481 641561148 /nfs/dbraw/zinc/56/11/48/641561148.db2.gz YTQHVLBRMJIJMB-UWVGGRQHSA-N 2 0 202.298 -0.193 20 0 BBADRP CC[C@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313363484 641560800 /nfs/dbraw/zinc/56/08/00/641560800.db2.gz YTQHVLBRMJIJMB-VHSXEESVSA-N 2 0 202.298 -0.193 20 0 BBADRP OC[C@@]1(O)CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000313827317 326281466 /nfs/dbraw/zinc/28/14/66/326281466.db2.gz XFYYZMPEGMUYMQ-GFCCVEGCSA-N 2 0 228.336 -0.195 20 0 BBADRP OC[C@]1(O)CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000313827318 326281259 /nfs/dbraw/zinc/28/12/59/326281259.db2.gz XFYYZMPEGMUYMQ-LBPRGKRZSA-N 2 0 228.336 -0.195 20 0 BBADRP CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000322681824 173280812 /nfs/dbraw/zinc/28/08/12/173280812.db2.gz IJDYJLLLGXLCIX-MNOVXSKESA-N 2 0 243.351 -0.443 20 0 BBADRP CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000322681827 173282090 /nfs/dbraw/zinc/28/20/90/173282090.db2.gz IJDYJLLLGXLCIX-WDEREUQCSA-N 2 0 243.351 -0.443 20 0 BBADRP CNC(=O)C[C@@H](C)[NH2+][C@H]1CCN(CCOC)C1 ZINC000323030635 173280951 /nfs/dbraw/zinc/28/09/51/173280951.db2.gz MDZCBRKSDORWRA-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000323030637 173282635 /nfs/dbraw/zinc/28/26/35/173282635.db2.gz MDZCBRKSDORWRA-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1O)C[NH+]1CCCC1 ZINC000323902959 388091929 /nfs/dbraw/zinc/09/19/29/388091929.db2.gz YUTRPSIEBGYRRO-IJLUTSLNSA-N 2 0 228.336 -0.054 20 0 BBADRP O[C@H](C[NH2+][C@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000323902972 388092275 /nfs/dbraw/zinc/09/22/75/388092275.db2.gz YUTRPSIEBGYRRO-WOPDTQHZSA-N 2 0 228.336 -0.054 20 0 BBADRP CN(CCC[NH3+])Cc1cn(CC[NH+](C)C)nn1 ZINC000328076337 711689383 /nfs/dbraw/zinc/68/93/83/711689383.db2.gz FTQUDDCGTKUEBZ-UHFFFAOYSA-N 2 0 240.355 -0.380 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC[C@@H]1O ZINC000328388025 350399890 /nfs/dbraw/zinc/39/98/90/350399890.db2.gz XANHWVPGAJIGSM-AXFHLTTASA-N 2 0 216.325 -0.211 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC[C@H]1O ZINC000328388029 350400082 /nfs/dbraw/zinc/40/00/82/350400082.db2.gz XANHWVPGAJIGSM-GMTAPVOTSA-N 2 0 216.325 -0.211 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC[C@H]1O ZINC000328388031 350399904 /nfs/dbraw/zinc/39/99/04/350399904.db2.gz XANHWVPGAJIGSM-HBNTYKKESA-N 2 0 216.325 -0.211 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC[C@@H]1O ZINC000328388034 350399964 /nfs/dbraw/zinc/39/99/64/350399964.db2.gz XANHWVPGAJIGSM-MXWKQRLJSA-N 2 0 216.325 -0.211 20 0 BBADRP C[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccnn1C ZINC000330363957 384365014 /nfs/dbraw/zinc/36/50/14/384365014.db2.gz AOLAUUQPVPXZRI-NXEZZACHSA-N 2 0 226.324 -0.007 20 0 BBADRP C[C@H](NC[C@H](O)C[NH+](C)C)c1ccnn1C ZINC000330363958 384362470 /nfs/dbraw/zinc/36/24/70/384362470.db2.gz AOLAUUQPVPXZRI-UWVGGRQHSA-N 2 0 226.324 -0.007 20 0 BBADRP C[C@H](NC[C@@H](O)C[NH+](C)C)c1ccnn1C ZINC000330363959 384364538 /nfs/dbraw/zinc/36/45/38/384364538.db2.gz AOLAUUQPVPXZRI-VHSXEESVSA-N 2 0 226.324 -0.007 20 0 BBADRP C[C@@H](NC[C@H](O)C[NH+](C)C)c1ccnn1C ZINC000330363960 384363908 /nfs/dbraw/zinc/36/39/08/384363908.db2.gz AOLAUUQPVPXZRI-ZJUUUORDSA-N 2 0 226.324 -0.007 20 0 BBADRP CO[C@H]1C[C@@H](C(=O)NCc2ncc[nH]2)N(C)C1 ZINC000330528746 386773438 /nfs/dbraw/zinc/77/34/38/386773438.db2.gz FJQVVYJHOOMBBS-IUCAKERBSA-N 2 0 238.291 -0.255 20 0 BBADRP CO[C@H]1C[C@@H](C(=O)NCc2c[nH]cn2)N(C)C1 ZINC000330530419 386773499 /nfs/dbraw/zinc/77/34/99/386773499.db2.gz GFJXTCVIKNYWNW-UWVGGRQHSA-N 2 0 238.291 -0.255 20 0 BBADRP C[NH+]1CCN(c2ccc(CNC(N)=[NH2+])cn2)CC1 ZINC000330536897 132229085 /nfs/dbraw/zinc/22/90/85/132229085.db2.gz PLYFMWPVAXEQMK-UHFFFAOYSA-N 2 0 248.334 -0.184 20 0 BBADRP Cn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cn1 ZINC000330675378 388443416 /nfs/dbraw/zinc/44/34/16/388443416.db2.gz SEACQICEZPBFAE-UHFFFAOYSA-N 2 0 238.335 -0.034 20 0 BBADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000330765854 386881173 /nfs/dbraw/zinc/88/11/73/386881173.db2.gz UHSUTHISEQEDJZ-SECBINFHSA-N 2 0 242.323 -0.131 20 0 BBADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000330765855 386881045 /nfs/dbraw/zinc/88/10/45/386881045.db2.gz UHSUTHISEQEDJZ-VIFPVBQESA-N 2 0 242.323 -0.131 20 0 BBADRP C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000331370290 177152053 /nfs/dbraw/zinc/15/20/53/177152053.db2.gz GCSFIBACTAFIMB-JLIMGVALSA-N 2 0 211.309 -0.223 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000331370291 176160913 /nfs/dbraw/zinc/16/09/13/176160913.db2.gz GCSFIBACTAFIMB-KYXWUPHJSA-N 2 0 211.309 -0.223 20 0 BBADRP C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C[NH3+] ZINC000331370294 177152259 /nfs/dbraw/zinc/15/22/59/177152259.db2.gz GCSFIBACTAFIMB-QEYWKRMJSA-N 2 0 211.309 -0.223 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C[NH3+] ZINC000331370301 176160803 /nfs/dbraw/zinc/16/08/03/176160803.db2.gz GCSFIBACTAFIMB-RGOKHQFPSA-N 2 0 211.309 -0.223 20 0 BBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000331468494 386856497 /nfs/dbraw/zinc/85/64/97/386856497.db2.gz VXNKFHRCXRJFBU-AEJSXWLSSA-N 2 0 227.308 -0.877 20 0 BBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000331468507 386855602 /nfs/dbraw/zinc/85/56/02/386855602.db2.gz VXNKFHRCXRJFBU-BBBLOLIVSA-N 2 0 227.308 -0.877 20 0 BBADRP [NH3+]CCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000331495303 181394010 /nfs/dbraw/zinc/39/40/10/181394010.db2.gz YSQPMTYQFYPTHL-UHFFFAOYSA-N 2 0 226.324 -0.318 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCC1 ZINC000331833602 386914428 /nfs/dbraw/zinc/91/44/28/386914428.db2.gz FDQREIXCZAFRSR-KXUCPTDWSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCC1 ZINC000331833604 386915278 /nfs/dbraw/zinc/91/52/78/386915278.db2.gz FDQREIXCZAFRSR-UTLUCORTSA-N 2 0 211.309 -0.033 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000331911761 173352027 /nfs/dbraw/zinc/35/20/27/173352027.db2.gz SUICRNRVZOHBMD-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000331911782 173352419 /nfs/dbraw/zinc/35/24/19/173352419.db2.gz SUICRNRVZOHBMD-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331989801 356206802 /nfs/dbraw/zinc/20/68/02/356206802.db2.gz PZXOCZCHMMMLCH-HRDYMLBCSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000331989805 356206861 /nfs/dbraw/zinc/20/68/61/356206861.db2.gz PZXOCZCHMMMLCH-VGMNWLOBSA-N 2 0 211.309 -0.162 20 0 BBADRP Cn1cc([C@@H]2CN(CC(C)(C)O)C[C@H]2[NH3+])cn1 ZINC000332413661 386975475 /nfs/dbraw/zinc/97/54/75/386975475.db2.gz PIBLTBWIAVUCRV-WDEREUQCSA-N 2 0 238.335 -0.083 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000333293283 387026292 /nfs/dbraw/zinc/02/62/92/387026292.db2.gz OWXDUNHREYRJLS-IUCAKERBSA-N 2 0 211.309 -0.147 20 0 BBADRP C[N@H+](CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000333394531 387032369 /nfs/dbraw/zinc/03/23/69/387032369.db2.gz PFUFEVMAMVXNBP-URLYPYJESA-N 2 0 238.335 -0.402 20 0 BBADRP C[N@H+](CCNC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000333412710 385259146 /nfs/dbraw/zinc/25/91/46/385259146.db2.gz RKMYMFRWYKITAT-SECBINFHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[N@H+](CCNC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000333412714 487738372 /nfs/dbraw/zinc/73/83/72/487738372.db2.gz RKMYMFRWYKITAT-VIFPVBQESA-N 2 0 226.324 -0.258 20 0 BBADRP Cn1cc([C@@H]2CN(CC3(C[NH3+])CC3)C[C@H]2[NH3+])cn1 ZINC000333559870 387043950 /nfs/dbraw/zinc/04/39/50/387043950.db2.gz KTPSNBMYBOIEAO-NWDGAFQWSA-N 2 0 249.362 -0.115 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000333637529 176252617 /nfs/dbraw/zinc/25/26/17/176252617.db2.gz HOPFOIFOQOWZBG-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000333637530 177221284 /nfs/dbraw/zinc/22/12/84/177221284.db2.gz HOPFOIFOQOWZBG-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000333637537 177220883 /nfs/dbraw/zinc/22/08/83/177220883.db2.gz HOPFOIFOQOWZBG-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000333637539 176252600 /nfs/dbraw/zinc/25/26/00/176252600.db2.gz HOPFOIFOQOWZBG-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP CN(C(=O)N[C@@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000333712816 172322276 /nfs/dbraw/zinc/32/22/76/172322276.db2.gz SNZARONQLGLMRJ-HWOCKDDLSA-N 2 0 226.324 -0.131 20 0 BBADRP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CC[NH2+]C1 ZINC000333714715 182182833 /nfs/dbraw/zinc/18/28/33/182182833.db2.gz SVFLYNPIFBDEPP-LLVKDONJSA-N 2 0 238.335 -0.091 20 0 BBADRP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CC[NH2+]C1 ZINC000333714717 182182174 /nfs/dbraw/zinc/18/21/74/182182174.db2.gz SVFLYNPIFBDEPP-NSHDSACASA-N 2 0 238.335 -0.091 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333746491 176326094 /nfs/dbraw/zinc/32/60/94/176326094.db2.gz YJAQGBNLCRSPBN-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333746497 177282585 /nfs/dbraw/zinc/28/25/85/177282585.db2.gz YJAQGBNLCRSPBN-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333746498 177283136 /nfs/dbraw/zinc/28/31/36/177283136.db2.gz YJAQGBNLCRSPBN-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333746500 176326086 /nfs/dbraw/zinc/32/60/86/176326086.db2.gz YJAQGBNLCRSPBN-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP CC1(C)CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000333764621 356305284 /nfs/dbraw/zinc/30/52/84/356305284.db2.gz AZWGRNJSBZWFCN-MYJAWHEDSA-N 2 0 238.335 -0.402 20 0 BBADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000333777741 176251168 /nfs/dbraw/zinc/25/11/68/176251168.db2.gz DFDUVOLGCCCNKN-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000333777742 177220325 /nfs/dbraw/zinc/22/03/25/177220325.db2.gz DFDUVOLGCCCNKN-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000333777743 177220572 /nfs/dbraw/zinc/22/05/72/177220572.db2.gz DFDUVOLGCCCNKN-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000333777744 176251634 /nfs/dbraw/zinc/25/16/34/176251634.db2.gz DFDUVOLGCCCNKN-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333783171 387056452 /nfs/dbraw/zinc/05/64/52/387056452.db2.gz DYQHBDDVXYQMIT-UKKRHICBSA-N 2 0 238.335 -0.273 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333783175 181457110 /nfs/dbraw/zinc/45/71/10/181457110.db2.gz DYQHBDDVXYQMIT-ZNSHCXBVSA-N 2 0 238.335 -0.273 20 0 BBADRP CC1(C(=O)NCC[N@@H+]2CCCOCC2)C[NH2+]C1 ZINC000333804009 387057029 /nfs/dbraw/zinc/05/70/29/387057029.db2.gz IGKNLWBDDVEPII-UHFFFAOYSA-N 2 0 241.335 -0.566 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333833913 173368534 /nfs/dbraw/zinc/36/85/34/173368534.db2.gz MZSBQKKSZKRRNG-UKKRHICBSA-N 2 0 238.335 -0.402 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333833914 173379727 /nfs/dbraw/zinc/37/97/27/173379727.db2.gz MZSBQKKSZKRRNG-ZNSHCXBVSA-N 2 0 238.335 -0.402 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000333849556 176186373 /nfs/dbraw/zinc/18/63/73/176186373.db2.gz PTZBHNPVPORICO-GHMZBOCLSA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000333849559 176185476 /nfs/dbraw/zinc/18/54/76/176185476.db2.gz PTZBHNPVPORICO-MNOVXSKESA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000333849563 177174788 /nfs/dbraw/zinc/17/47/88/177174788.db2.gz PTZBHNPVPORICO-QWRGUYRKSA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000333849566 177175389 /nfs/dbraw/zinc/17/53/89/177175389.db2.gz PTZBHNPVPORICO-WDEREUQCSA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1C ZINC000333853588 177396534 /nfs/dbraw/zinc/39/65/34/177396534.db2.gz QMMFWLNQDQRNQG-APLZJWDSSA-N 2 0 238.335 -0.404 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1C ZINC000333853591 387062377 /nfs/dbraw/zinc/06/23/77/387062377.db2.gz QMMFWLNQDQRNQG-LADJIXMOSA-N 2 0 238.335 -0.404 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333853593 387062485 /nfs/dbraw/zinc/06/24/85/387062485.db2.gz QMMFWLNQDQRNQG-OGBGREFGSA-N 2 0 238.335 -0.404 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1C ZINC000333853594 387062160 /nfs/dbraw/zinc/06/21/60/387062160.db2.gz QMMFWLNQDQRNQG-XXFSISAASA-N 2 0 238.335 -0.404 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000333853598 177174854 /nfs/dbraw/zinc/17/48/54/177174854.db2.gz QMNNUFNTMLFLTR-AXFHLTTASA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000333853600 177174714 /nfs/dbraw/zinc/17/47/14/177174714.db2.gz QMNNUFNTMLFLTR-DCAQKATOSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000333853601 177175743 /nfs/dbraw/zinc/17/57/43/177175743.db2.gz QMNNUFNTMLFLTR-GARJFASQSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000333853603 176186686 /nfs/dbraw/zinc/18/66/86/176186686.db2.gz QMNNUFNTMLFLTR-GMTAPVOTSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000333853608 177175718 /nfs/dbraw/zinc/17/57/18/177175718.db2.gz QMNNUFNTMLFLTR-HBNTYKKESA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000333853611 176185428 /nfs/dbraw/zinc/18/54/28/176185428.db2.gz QMNNUFNTMLFLTR-MXWKQRLJSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000333853619 177283208 /nfs/dbraw/zinc/28/32/08/177283208.db2.gz QMNNUFNTMLFLTR-OUAUKWLOSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000333853633 177283134 /nfs/dbraw/zinc/28/31/34/177283134.db2.gz QMNNUFNTMLFLTR-VWYCJHECSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C[NH2+]1 ZINC000333854516 176252818 /nfs/dbraw/zinc/25/28/18/176252818.db2.gz QPKNIZARLPGEBM-APLZJWDSSA-N 2 0 238.335 -0.404 20 0 BBADRP C[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C[NH2+]1 ZINC000333854517 177221538 /nfs/dbraw/zinc/22/15/38/177221538.db2.gz QPKNIZARLPGEBM-LADJIXMOSA-N 2 0 238.335 -0.404 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333854519 177221198 /nfs/dbraw/zinc/22/11/98/177221198.db2.gz QPKNIZARLPGEBM-OGBGREFGSA-N 2 0 238.335 -0.404 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C[NH2+]1 ZINC000333854520 387062574 /nfs/dbraw/zinc/06/25/74/387062574.db2.gz QPKNIZARLPGEBM-XXFSISAASA-N 2 0 238.335 -0.404 20 0 BBADRP CN(C(=O)NC[C@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000333858760 172321049 /nfs/dbraw/zinc/32/10/49/172321049.db2.gz ROCVRSVNDUQKEY-HWOCKDDLSA-N 2 0 226.324 -0.131 20 0 BBADRP CN(C(=O)NC[C@@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000333858761 172320612 /nfs/dbraw/zinc/32/06/12/172320612.db2.gz ROCVRSVNDUQKEY-KYHHOPLUSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333860918 176325306 /nfs/dbraw/zinc/32/53/06/176325306.db2.gz SAWHUVBZRCGFLP-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333860919 177282944 /nfs/dbraw/zinc/28/29/44/177282944.db2.gz SAWHUVBZRCGFLP-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333860920 177282628 /nfs/dbraw/zinc/28/26/28/177282628.db2.gz SAWHUVBZRCGFLP-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333860922 176325078 /nfs/dbraw/zinc/32/50/78/176325078.db2.gz SAWHUVBZRCGFLP-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP CN(C(=O)N[C@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000333863328 172322825 /nfs/dbraw/zinc/32/28/25/172322825.db2.gz SNZARONQLGLMRJ-KYHHOPLUSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000333882395 177174711 /nfs/dbraw/zinc/17/47/11/177174711.db2.gz WLGGTHHRMMTZPL-AXFHLTTASA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000333882398 177221040 /nfs/dbraw/zinc/22/10/40/177221040.db2.gz WLGGTHHRMMTZPL-DCAQKATOSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000333882399 177221079 /nfs/dbraw/zinc/22/10/79/177221079.db2.gz WLGGTHHRMMTZPL-GARJFASQSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC000333882403 176252083 /nfs/dbraw/zinc/25/20/83/176252083.db2.gz WLGGTHHRMMTZPL-GMTAPVOTSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000333882406 177175655 /nfs/dbraw/zinc/17/56/55/177175655.db2.gz WLGGTHHRMMTZPL-HBNTYKKESA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC000333882411 176252513 /nfs/dbraw/zinc/25/25/13/176252513.db2.gz WLGGTHHRMMTZPL-MXWKQRLJSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000333882414 177221460 /nfs/dbraw/zinc/22/14/60/177221460.db2.gz WLGGTHHRMMTZPL-OUAUKWLOSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000333882415 177221130 /nfs/dbraw/zinc/22/11/30/177221130.db2.gz WLGGTHHRMMTZPL-VWYCJHECSA-N 2 0 240.351 -0.012 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333949073 173055468 /nfs/dbraw/zinc/05/54/68/173055468.db2.gz WXRIYUUPDPVFPR-UKKRHICBSA-N 2 0 238.335 -0.402 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333949074 173031136 /nfs/dbraw/zinc/03/11/36/173031136.db2.gz WXRIYUUPDPVFPR-ZNSHCXBVSA-N 2 0 238.335 -0.402 20 0 BBADRP [NH3+]CC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000334196137 136224373 /nfs/dbraw/zinc/22/43/73/136224373.db2.gz LBFBVPGOHUCGFD-LLVKDONJSA-N 2 0 219.288 -0.052 20 0 BBADRP [NH3+]CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000334196138 136224321 /nfs/dbraw/zinc/22/43/21/136224321.db2.gz LBFBVPGOHUCGFD-NSHDSACASA-N 2 0 219.288 -0.052 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334235522 133597426 /nfs/dbraw/zinc/59/74/26/133597426.db2.gz KJRTXNVUOWWKGE-PWSUYJOCSA-N 2 0 223.320 -0.050 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334235525 538059963 /nfs/dbraw/zinc/05/99/63/538059963.db2.gz KJRTXNVUOWWKGE-ZYHUDNBSSA-N 2 0 223.320 -0.050 20 0 BBADRP C[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000334310878 172985290 /nfs/dbraw/zinc/98/52/90/172985290.db2.gz LBBBSNHJTQSSKA-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000334411260 135395422 /nfs/dbraw/zinc/39/54/22/135395422.db2.gz LBJAOWGATHRCSG-WDEREUQCSA-N 2 0 223.320 -0.290 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000334660742 354459440 /nfs/dbraw/zinc/45/94/40/354459440.db2.gz GWEPRPRIKQJCGE-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000334660746 354459911 /nfs/dbraw/zinc/45/99/11/354459911.db2.gz GWEPRPRIKQJCGE-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000334660747 177223767 /nfs/dbraw/zinc/22/37/67/177223767.db2.gz GWEPRPRIKQJCGE-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000334660748 354459950 /nfs/dbraw/zinc/45/99/50/354459950.db2.gz GWEPRPRIKQJCGE-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000334762581 354583056 /nfs/dbraw/zinc/58/30/56/354583056.db2.gz XFSDNJRPEKQLHK-BDAKNGLRSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000334762583 354582923 /nfs/dbraw/zinc/58/29/23/354582923.db2.gz XFSDNJRPEKQLHK-RKDXNWHRSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1C[C@H](C[N@@H+]2CCNC(=O)C2)CC[NH2+]1 ZINC000334824869 384564633 /nfs/dbraw/zinc/56/46/33/384564633.db2.gz HFNXSWRSMRAXCT-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1C[C@@H](C[N@@H+]2CCNC(=O)C2)CC[NH2+]1 ZINC000334824870 386956510 /nfs/dbraw/zinc/95/65/10/386956510.db2.gz HFNXSWRSMRAXCT-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1C[C@H](C[N@@H+]2CCNC(=O)C2)CC[NH2+]1 ZINC000334824871 386955802 /nfs/dbraw/zinc/95/58/02/386955802.db2.gz HFNXSWRSMRAXCT-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNC(=O)C2)CC[NH2+]1 ZINC000334824872 386956602 /nfs/dbraw/zinc/95/66/02/386956602.db2.gz HFNXSWRSMRAXCT-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000334899010 386972866 /nfs/dbraw/zinc/97/28/66/386972866.db2.gz DSNRRZPQCBGIHQ-NXEZZACHSA-N 2 0 243.376 -0.098 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000334899012 386972677 /nfs/dbraw/zinc/97/26/77/386972677.db2.gz DSNRRZPQCBGIHQ-UWVGGRQHSA-N 2 0 243.376 -0.098 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000334899014 135837617 /nfs/dbraw/zinc/83/76/17/135837617.db2.gz DSNRRZPQCBGIHQ-VHSXEESVSA-N 2 0 243.376 -0.098 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000334899017 386972650 /nfs/dbraw/zinc/97/26/50/386972650.db2.gz DSNRRZPQCBGIHQ-ZJUUUORDSA-N 2 0 243.376 -0.098 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334926203 387001036 /nfs/dbraw/zinc/00/10/36/387001036.db2.gz OPDYCALEWPAZGZ-GHMZBOCLSA-N 2 0 238.335 -0.162 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000334926204 387001524 /nfs/dbraw/zinc/00/15/24/387001524.db2.gz OPDYCALEWPAZGZ-MNOVXSKESA-N 2 0 238.335 -0.162 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000334926205 387001267 /nfs/dbraw/zinc/00/12/67/387001267.db2.gz OPDYCALEWPAZGZ-QWRGUYRKSA-N 2 0 238.335 -0.162 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334926206 387001953 /nfs/dbraw/zinc/00/19/53/387001953.db2.gz OPDYCALEWPAZGZ-WDEREUQCSA-N 2 0 238.335 -0.162 20 0 BBADRP CN(C(=O)NCC1([NH3+])CCC1)C1CC([NH3+])C1 ZINC000334928380 387003553 /nfs/dbraw/zinc/00/35/53/387003553.db2.gz CPBNCAXOFMSFFB-UHFFFAOYSA-N 2 0 226.324 -0.001 20 0 BBADRP [NH3+]CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000334929241 387004812 /nfs/dbraw/zinc/00/48/12/387004812.db2.gz ORPXCIXRBXMKBS-WDEREUQCSA-N 2 0 219.288 -0.102 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000334930396 387006949 /nfs/dbraw/zinc/00/69/49/387006949.db2.gz QOQDRSTWDOKCLD-PSASIEDQSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000334930401 387007289 /nfs/dbraw/zinc/00/72/89/387007289.db2.gz QOQDRSTWDOKCLD-SCZZXKLOSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000334930405 387007319 /nfs/dbraw/zinc/00/73/19/387007319.db2.gz QOQDRSTWDOKCLD-WCBMZHEXSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000334930410 387007847 /nfs/dbraw/zinc/00/78/47/387007847.db2.gz QOQDRSTWDOKCLD-WPRPVWTQSA-N 2 0 226.324 -0.273 20 0 BBADRP CC1(C)CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000334930963 387008168 /nfs/dbraw/zinc/00/81/68/387008168.db2.gz JLEDQHLQGONTEO-SECBINFHSA-N 2 0 226.324 -0.258 20 0 BBADRP CC1(C)CN(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000334930972 387007472 /nfs/dbraw/zinc/00/74/72/387007472.db2.gz JLEDQHLQGONTEO-VIFPVBQESA-N 2 0 226.324 -0.258 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334931050 387007228 /nfs/dbraw/zinc/00/72/28/387007228.db2.gz KNZJZCVZYGSFFC-NXEZZACHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334931051 387006748 /nfs/dbraw/zinc/00/67/48/387006748.db2.gz KNZJZCVZYGSFFC-UWVGGRQHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334931053 387006958 /nfs/dbraw/zinc/00/69/58/387006958.db2.gz KNZJZCVZYGSFFC-VHSXEESVSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334931055 387007776 /nfs/dbraw/zinc/00/77/76/387007776.db2.gz KNZJZCVZYGSFFC-ZJUUUORDSA-N 2 0 226.324 -0.129 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000334931313 387007613 /nfs/dbraw/zinc/00/76/13/387007613.db2.gz RVZSSJDJAPZWFM-UWVGGRQHSA-N 2 0 228.340 -0.060 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000334931324 387008178 /nfs/dbraw/zinc/00/81/78/387008178.db2.gz RVZSSJDJAPZWFM-ZJUUUORDSA-N 2 0 228.340 -0.060 20 0 BBADRP C[C@H]1CN(C(=O)NCC2([NH3+])CCC2)CC[NH2+]1 ZINC000334932490 135844501 /nfs/dbraw/zinc/84/45/01/135844501.db2.gz RMLOJYAREJMVTD-VIFPVBQESA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000334932887 387009390 /nfs/dbraw/zinc/00/93/90/387009390.db2.gz ARWQORUARIYNJK-NXEZZACHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000334932890 387008750 /nfs/dbraw/zinc/00/87/50/387008750.db2.gz ARWQORUARIYNJK-VHSXEESVSA-N 2 0 226.324 -0.129 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000334939689 387016388 /nfs/dbraw/zinc/01/63/88/387016388.db2.gz DWGMDYPXQDXNFM-BDAKNGLRSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000334939691 387015783 /nfs/dbraw/zinc/01/57/83/387015783.db2.gz DWGMDYPXQDXNFM-DTWKUNHWSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000334939692 387015526 /nfs/dbraw/zinc/01/55/26/387015526.db2.gz DWGMDYPXQDXNFM-IUCAKERBSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000334939694 387016323 /nfs/dbraw/zinc/01/63/23/387016323.db2.gz DWGMDYPXQDXNFM-RKDXNWHRSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334941319 387018480 /nfs/dbraw/zinc/01/84/80/387018480.db2.gz PNRQBXPKJNIBCK-AOOOYVTPSA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000334941731 387019027 /nfs/dbraw/zinc/01/90/27/387019027.db2.gz UFQTUXGDMFXWAD-BDAKNGLRSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000334941732 387018358 /nfs/dbraw/zinc/01/83/58/387018358.db2.gz UFQTUXGDMFXWAD-DTWKUNHWSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000334941733 135846757 /nfs/dbraw/zinc/84/67/57/135846757.db2.gz UFQTUXGDMFXWAD-IUCAKERBSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000334941734 173354957 /nfs/dbraw/zinc/35/49/57/173354957.db2.gz UFQTUXGDMFXWAD-RKDXNWHRSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000334942416 387020461 /nfs/dbraw/zinc/02/04/61/387020461.db2.gz ZFTNNCGCHYJNCR-UHFFFAOYSA-N 2 0 214.313 -0.401 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000334949195 387111874 /nfs/dbraw/zinc/11/18/74/387111874.db2.gz DVYDWLCDYRPEDL-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000334949196 387112396 /nfs/dbraw/zinc/11/23/96/387112396.db2.gz DVYDWLCDYRPEDL-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000334949197 387112832 /nfs/dbraw/zinc/11/28/32/387112832.db2.gz DVYDWLCDYRPEDL-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000334949198 387111981 /nfs/dbraw/zinc/11/19/81/387111981.db2.gz DVYDWLCDYRPEDL-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000334957856 387037517 /nfs/dbraw/zinc/03/75/17/387037517.db2.gz UGIYKXVOPLLZEP-SECBINFHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000334957857 387037037 /nfs/dbraw/zinc/03/70/37/387037037.db2.gz UGIYKXVOPLLZEP-VIFPVBQESA-N 2 0 228.340 -0.025 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000334961133 135851254 /nfs/dbraw/zinc/85/12/54/135851254.db2.gz MKTMWCUXZYCHEC-MWLCHTKSSA-N 2 0 211.309 -0.207 20 0 BBADRP CC1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000335012890 384476185 /nfs/dbraw/zinc/47/61/85/384476185.db2.gz LDGZDIPTJCLBAE-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[NH2+]C1 ZINC000335012891 384476488 /nfs/dbraw/zinc/47/64/88/384476488.db2.gz LDGZDIPTJCLBAE-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C[NH2+]C1 ZINC000335012892 384476150 /nfs/dbraw/zinc/47/61/50/384476150.db2.gz LDGZDIPTJCLBAE-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000335012893 135876920 /nfs/dbraw/zinc/87/69/20/135876920.db2.gz LDGZDIPTJCLBAE-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC000335013708 385971905 /nfs/dbraw/zinc/97/19/05/385971905.db2.gz OHDVMJKYXSDOPF-AOOOYVTPSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335021068 135879159 /nfs/dbraw/zinc/87/91/59/135879159.db2.gz ALHMBRARIGSRMK-BDAKNGLRSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335021069 135878883 /nfs/dbraw/zinc/87/88/83/135878883.db2.gz ALHMBRARIGSRMK-DTWKUNHWSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335021070 385981479 /nfs/dbraw/zinc/98/14/79/385981479.db2.gz ALHMBRARIGSRMK-IUCAKERBSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335021071 135879236 /nfs/dbraw/zinc/87/92/36/135879236.db2.gz ALHMBRARIGSRMK-RKDXNWHRSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@@H]1CN(C)CCN1C(=O)C1(C)C[NH2+]C1 ZINC000335029243 384777367 /nfs/dbraw/zinc/77/73/67/384777367.db2.gz NZGHEMIDNURXBW-SECBINFHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[C@H]1CN(C)CCN1C(=O)C1(C)C[NH2+]C1 ZINC000335029245 384777838 /nfs/dbraw/zinc/77/78/38/384777838.db2.gz NZGHEMIDNURXBW-VIFPVBQESA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335031988 536356281 /nfs/dbraw/zinc/35/62/81/536356281.db2.gz USRYXNKZDMJCPF-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335031989 387127601 /nfs/dbraw/zinc/12/76/01/387127601.db2.gz USRYXNKZDMJCPF-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP CC1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C[NH2+]C1 ZINC000335032524 385920401 /nfs/dbraw/zinc/92/04/01/385920401.db2.gz MCJAZTXGGKSCIJ-SSDOTTSWSA-N 2 0 233.262 -0.291 20 0 BBADRP CC1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C[NH2+]C1 ZINC000335032525 135869120 /nfs/dbraw/zinc/86/91/20/135869120.db2.gz MCJAZTXGGKSCIJ-ZETCQYMHSA-N 2 0 233.262 -0.291 20 0 BBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000335036421 173338700 /nfs/dbraw/zinc/33/87/00/173338700.db2.gz CUFZVIXIIMBARU-ZJUUUORDSA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]C1 ZINC000335045072 388448671 /nfs/dbraw/zinc/44/86/71/388448671.db2.gz XBWLEKWPKKSGCE-SECBINFHSA-N 2 0 223.320 -0.051 20 0 BBADRP CC1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]C1 ZINC000335045073 388448285 /nfs/dbraw/zinc/44/82/85/388448285.db2.gz XBWLEKWPKKSGCE-VIFPVBQESA-N 2 0 223.320 -0.051 20 0 BBADRP CC1(C(=O)N2CC[NH+]3CCC2CC3)C[NH2+]C1 ZINC000335054837 385954824 /nfs/dbraw/zinc/95/48/24/385954824.db2.gz ZSKWKALGGFTWFK-UHFFFAOYSA-N 2 0 223.320 -0.098 20 0 BBADRP CCN1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335064418 386035531 /nfs/dbraw/zinc/03/55/31/386035531.db2.gz CWWXTXOHXQJNSF-UHFFFAOYSA-N 2 0 211.309 -0.240 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000335216130 172521959 /nfs/dbraw/zinc/52/19/59/172521959.db2.gz NALZDOZMAJJSAY-NXEZZACHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000335216132 384863364 /nfs/dbraw/zinc/86/33/64/384863364.db2.gz NALZDOZMAJJSAY-VHSXEESVSA-N 2 0 211.309 -0.099 20 0 BBADRP CC1(C(=O)N2CC[NH2+]C(C)(C)C2)C[NH2+]C1 ZINC000335229056 347103669 /nfs/dbraw/zinc/10/36/69/347103669.db2.gz FAKWTWFBJMLMRG-UHFFFAOYSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000335238363 355100074 /nfs/dbraw/zinc/10/00/74/355100074.db2.gz HOPAHINWOICBBB-PSASIEDQSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000335238364 355099946 /nfs/dbraw/zinc/09/99/46/355099946.db2.gz HOPAHINWOICBBB-SCZZXKLOSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000335238365 355100132 /nfs/dbraw/zinc/10/01/32/355100132.db2.gz HOPAHINWOICBBB-WCBMZHEXSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000335238366 355100160 /nfs/dbraw/zinc/10/01/60/355100160.db2.gz HOPAHINWOICBBB-WPRPVWTQSA-N 2 0 226.324 -0.273 20 0 BBADRP CC1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC[NH2+]CC1 ZINC000335277103 386340077 /nfs/dbraw/zinc/34/00/77/386340077.db2.gz HXPHVEWLSJJDOM-BDAKNGLRSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335282035 355273177 /nfs/dbraw/zinc/27/31/77/355273177.db2.gz QISUBSIPNIZGSD-VHSXEESVSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335283462 136001030 /nfs/dbraw/zinc/00/10/30/136001030.db2.gz JDSNVCWZPJHWBS-VHSXEESVSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335284424 386155366 /nfs/dbraw/zinc/15/53/66/386155366.db2.gz CDRNAFWJYVEHGL-VHSXEESVSA-N 2 0 209.293 -0.360 20 0 BBADRP CC(C)[C@@H]1CN(C(=O)NCC[NH3+])CC[N@@H+]1C ZINC000335293972 136005703 /nfs/dbraw/zinc/00/57/03/136005703.db2.gz JXBQHGAYZOUHTP-JTQLQIEISA-N 2 0 228.340 -0.073 20 0 BBADRP CC(C)[C@H]1CN(C(=O)NCC[NH3+])CC[N@@H+]1C ZINC000335293973 136005622 /nfs/dbraw/zinc/00/56/22/136005622.db2.gz JXBQHGAYZOUHTP-SNVBAGLBSA-N 2 0 228.340 -0.073 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000335308977 136028181 /nfs/dbraw/zinc/02/81/81/136028181.db2.gz RHDMUJHVNPHCQM-NXEZZACHSA-N 2 0 228.340 -0.027 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335308978 136028086 /nfs/dbraw/zinc/02/80/86/136028086.db2.gz RHDMUJHVNPHCQM-UWVGGRQHSA-N 2 0 228.340 -0.027 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335308979 136028423 /nfs/dbraw/zinc/02/84/23/136028423.db2.gz RHDMUJHVNPHCQM-VHSXEESVSA-N 2 0 228.340 -0.027 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000335308980 136028214 /nfs/dbraw/zinc/02/82/14/136028214.db2.gz RHDMUJHVNPHCQM-ZJUUUORDSA-N 2 0 228.340 -0.027 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335312186 136030101 /nfs/dbraw/zinc/03/01/01/136030101.db2.gz GDTLSHOJXGGJOX-PWSUYJOCSA-N 2 0 223.320 -0.050 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335312187 136029951 /nfs/dbraw/zinc/02/99/51/136029951.db2.gz GDTLSHOJXGGJOX-ZYHUDNBSSA-N 2 0 223.320 -0.050 20 0 BBADRP C[C@]1(F)CNCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000335341343 384630129 /nfs/dbraw/zinc/63/01/29/384630129.db2.gz IBNLHFHIEIKEQJ-SCZZXKLOSA-N 2 0 215.272 -0.492 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000335345506 136066295 /nfs/dbraw/zinc/06/62/95/136066295.db2.gz KMQIFLZAOHALJW-HTQZYQBOSA-N 2 0 233.262 -0.148 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000335345507 136066215 /nfs/dbraw/zinc/06/62/15/136066215.db2.gz KMQIFLZAOHALJW-JGVFFNPUSA-N 2 0 233.262 -0.148 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000335345508 136066176 /nfs/dbraw/zinc/06/61/76/136066176.db2.gz KMQIFLZAOHALJW-SFYZADRCSA-N 2 0 233.262 -0.148 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000335345509 182341921 /nfs/dbraw/zinc/34/19/21/182341921.db2.gz KMQIFLZAOHALJW-YUMQZZPRSA-N 2 0 233.262 -0.148 20 0 BBADRP CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CC([NH3+])C1 ZINC000335345521 136066237 /nfs/dbraw/zinc/06/62/37/136066237.db2.gz LALRJPUFOMSAEX-GZJRGEOXSA-N 2 0 223.320 -0.066 20 0 BBADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC([NH3+])C1 ZINC000335345522 136066394 /nfs/dbraw/zinc/06/63/94/136066394.db2.gz LALRJPUFOMSAEX-ILDFIYDHSA-N 2 0 223.320 -0.066 20 0 BBADRP CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC([NH3+])C1 ZINC000335345523 536064842 /nfs/dbraw/zinc/06/48/42/536064842.db2.gz LALRJPUFOMSAEX-PQFJONNWSA-N 2 0 223.320 -0.066 20 0 BBADRP CN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CC([NH3+])C1 ZINC000335345524 136066413 /nfs/dbraw/zinc/06/64/13/136066413.db2.gz LALRJPUFOMSAEX-PTFDWCFRSA-N 2 0 223.320 -0.066 20 0 BBADRP CN(C(=O)C[C@@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000335346076 136066404 /nfs/dbraw/zinc/06/64/04/136066404.db2.gz MVATZCUVJPQXPG-IDKOKCKLSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)C[C@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000335346077 536005200 /nfs/dbraw/zinc/00/52/00/536005200.db2.gz MVATZCUVJPQXPG-XNWIYYODSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335347766 136067319 /nfs/dbraw/zinc/06/73/19/136067319.db2.gz XWOSFVPMDWSZSG-NTSWFWBYSA-N 2 0 207.224 -0.553 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335347767 136067659 /nfs/dbraw/zinc/06/76/59/136067659.db2.gz XWOSFVPMDWSZSG-PHDIDXHHSA-N 2 0 207.224 -0.553 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335347768 136067598 /nfs/dbraw/zinc/06/75/98/136067598.db2.gz XWOSFVPMDWSZSG-RITPCOANSA-N 2 0 207.224 -0.553 20 0 BBADRP C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335347769 136067603 /nfs/dbraw/zinc/06/76/03/136067603.db2.gz XWOSFVPMDWSZSG-WDSKDSINSA-N 2 0 207.224 -0.553 20 0 BBADRP C[C@@H]1CCN(C(=O)NCC[NH3+])[C@H](C[NH3+])C1 ZINC000335359480 136075424 /nfs/dbraw/zinc/07/54/24/136075424.db2.gz JUUQUADCMGDQFX-BDAKNGLRSA-N 2 0 214.313 -0.286 20 0 BBADRP C[C@H]1CCN(C(=O)NCC[NH3+])[C@@H](C[NH3+])C1 ZINC000335359509 136075530 /nfs/dbraw/zinc/07/55/30/136075530.db2.gz JUUQUADCMGDQFX-DTWKUNHWSA-N 2 0 214.313 -0.286 20 0 BBADRP C[C@H]1CCN(C(=O)NCC[NH3+])[C@H](C[NH3+])C1 ZINC000335359511 136075579 /nfs/dbraw/zinc/07/55/79/136075579.db2.gz JUUQUADCMGDQFX-IUCAKERBSA-N 2 0 214.313 -0.286 20 0 BBADRP C[C@@H]1CCN(C(=O)NCC[NH3+])[C@@H](C[NH3+])C1 ZINC000335359513 136075210 /nfs/dbraw/zinc/07/52/10/136075210.db2.gz JUUQUADCMGDQFX-RKDXNWHRSA-N 2 0 214.313 -0.286 20 0 BBADRP CN(C(=O)C1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000335360493 136080715 /nfs/dbraw/zinc/08/07/15/136080715.db2.gz JOJHDJMZCWDXMD-UHFFFAOYSA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000335373675 136084826 /nfs/dbraw/zinc/08/48/26/136084826.db2.gz UPNBOQWLHPGIQA-BDAKNGLRSA-N 2 0 211.309 -0.161 20 0 BBADRP CC1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000335373676 136084613 /nfs/dbraw/zinc/08/46/13/136084613.db2.gz UPNBOQWLHPGIQA-DTWKUNHWSA-N 2 0 211.309 -0.161 20 0 BBADRP CC1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000335373677 136084722 /nfs/dbraw/zinc/08/47/22/136084722.db2.gz UPNBOQWLHPGIQA-IUCAKERBSA-N 2 0 211.309 -0.161 20 0 BBADRP CC1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000335373678 136084656 /nfs/dbraw/zinc/08/46/56/136084656.db2.gz UPNBOQWLHPGIQA-RKDXNWHRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NC3C[NH2+]C3)[C@@H]2C1 ZINC000335377039 136085998 /nfs/dbraw/zinc/08/59/98/136085998.db2.gz GYNOWIUGGULVJN-GXSJLCMTSA-N 2 0 238.335 -0.306 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3C[NH2+]C3)[C@H]2C1 ZINC000335377040 136085974 /nfs/dbraw/zinc/08/59/74/136085974.db2.gz GYNOWIUGGULVJN-KOLCDFICSA-N 2 0 238.335 -0.306 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3C[NH2+]C3)[C@@H]2C1 ZINC000335377041 136086060 /nfs/dbraw/zinc/08/60/60/136086060.db2.gz GYNOWIUGGULVJN-MWLCHTKSSA-N 2 0 238.335 -0.306 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NC3C[NH2+]C3)[C@H]2C1 ZINC000335377042 136085930 /nfs/dbraw/zinc/08/59/30/136085930.db2.gz GYNOWIUGGULVJN-ONGXEEELSA-N 2 0 238.335 -0.306 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000335385428 136088711 /nfs/dbraw/zinc/08/87/11/136088711.db2.gz JBUOBTRGXQJLNS-GXSJLCMTSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000335385429 136088664 /nfs/dbraw/zinc/08/86/64/136088664.db2.gz JBUOBTRGXQJLNS-KOLCDFICSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000335385430 136088870 /nfs/dbraw/zinc/08/88/70/136088870.db2.gz JBUOBTRGXQJLNS-MWLCHTKSSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000335385431 136089115 /nfs/dbraw/zinc/08/91/15/136089115.db2.gz JBUOBTRGXQJLNS-ONGXEEELSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000335386733 136089201 /nfs/dbraw/zinc/08/92/01/136089201.db2.gz MVYLDMDZUORZAM-LLVKDONJSA-N 2 0 238.335 -0.162 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335386734 136089358 /nfs/dbraw/zinc/08/93/58/136089358.db2.gz MVYLDMDZUORZAM-NSHDSACASA-N 2 0 238.335 -0.162 20 0 BBADRP CC(C)[C@H]1CN(C(=O)NC2C[NH2+]C2)CC[N@@H+]1C ZINC000335387706 136089369 /nfs/dbraw/zinc/08/93/69/136089369.db2.gz RUUWLCAZLZYTTP-LLVKDONJSA-N 2 0 240.351 -0.060 20 0 BBADRP CC(C)[C@@H]1CN(C(=O)NC2C[NH2+]C2)CC[N@@H+]1C ZINC000335387707 136089228 /nfs/dbraw/zinc/08/92/28/136089228.db2.gz RUUWLCAZLZYTTP-NSHDSACASA-N 2 0 240.351 -0.060 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335388113 536373556 /nfs/dbraw/zinc/37/35/56/536373556.db2.gz DIEXKZICKWEYRI-NXEZZACHSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335388114 136089540 /nfs/dbraw/zinc/08/95/40/136089540.db2.gz DIEXKZICKWEYRI-UWVGGRQHSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335388115 136089798 /nfs/dbraw/zinc/08/97/98/136089798.db2.gz DIEXKZICKWEYRI-VHSXEESVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335388116 536372792 /nfs/dbraw/zinc/37/27/92/536372792.db2.gz DIEXKZICKWEYRI-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000335388498 384695539 /nfs/dbraw/zinc/69/55/39/384695539.db2.gz VZJFNOLMZNUTKV-NXEZZACHSA-N 2 0 209.293 -0.299 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000335388503 136089844 /nfs/dbraw/zinc/08/98/44/136089844.db2.gz VZJFNOLMZNUTKV-VHSXEESVSA-N 2 0 209.293 -0.299 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH3+])[C@@H]2C1 ZINC000335390503 136090474 /nfs/dbraw/zinc/09/04/74/136090474.db2.gz VXWOQBCXVYETNJ-NXEZZACHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH3+])[C@H]2C1 ZINC000335390504 136090716 /nfs/dbraw/zinc/09/07/16/136090716.db2.gz VXWOQBCXVYETNJ-UWVGGRQHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH3+])[C@@H]2C1 ZINC000335390506 136090672 /nfs/dbraw/zinc/09/06/72/136090672.db2.gz VXWOQBCXVYETNJ-VHSXEESVSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH3+])[C@H]2C1 ZINC000335390508 136090345 /nfs/dbraw/zinc/09/03/45/136090345.db2.gz VXWOQBCXVYETNJ-ZJUUUORDSA-N 2 0 211.309 -0.112 20 0 BBADRP [NH3+]CC1(CC(=O)N2CCC[NH2+]CC2)CC1 ZINC000335390602 181359033 /nfs/dbraw/zinc/35/90/33/181359033.db2.gz RAAOJNRTJFQBOZ-UHFFFAOYSA-N 2 0 211.309 -0.063 20 0 BBADRP O=C1NCC[C@@H]1[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335390891 136090604 /nfs/dbraw/zinc/09/06/04/136090604.db2.gz BRQOQJVUABFRIB-JTQLQIEISA-N 2 0 223.320 -0.050 20 0 BBADRP O=C1NCC[C@H]1[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335390894 136090465 /nfs/dbraw/zinc/09/04/65/136090465.db2.gz BRQOQJVUABFRIB-SNVBAGLBSA-N 2 0 223.320 -0.050 20 0 BBADRP CC1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC000335393064 535277120 /nfs/dbraw/zinc/27/71/20/535277120.db2.gz BEFLSPZMNWTQLH-GFCCVEGCSA-N 2 0 223.320 -0.192 20 0 BBADRP CC1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC000335393067 136091267 /nfs/dbraw/zinc/09/12/67/136091267.db2.gz BEFLSPZMNWTQLH-LBPRGKRZSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000335394523 136091989 /nfs/dbraw/zinc/09/19/89/136091989.db2.gz HMLFJCOEBYGRFL-LLVKDONJSA-N 2 0 236.319 -0.386 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000335394524 136092230 /nfs/dbraw/zinc/09/22/30/136092230.db2.gz HMLFJCOEBYGRFL-NSHDSACASA-N 2 0 236.319 -0.386 20 0 BBADRP C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[NH2+]1 ZINC000335394720 136092310 /nfs/dbraw/zinc/09/23/10/136092310.db2.gz HSSXNKLBUGRGFB-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP CNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335395182 136091973 /nfs/dbraw/zinc/09/19/73/136091973.db2.gz JXORGCABWMKHAI-UHFFFAOYSA-N 2 0 211.309 -0.192 20 0 BBADRP CC1(C(=O)N2CCC(C[NH3+])CC2)C[NH2+]C1 ZINC000335395414 136092144 /nfs/dbraw/zinc/09/21/44/136092144.db2.gz MJOMKUFUZYBQQD-UHFFFAOYSA-N 2 0 211.309 -0.207 20 0 BBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1C[NH2+]C1 ZINC000335395671 136092402 /nfs/dbraw/zinc/09/24/02/136092402.db2.gz MVTRSZVFRHZXFJ-NSHDSACASA-N 2 0 240.351 -0.060 20 0 BBADRP C[C@@H]1CCN(C(=O)NC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000335396281 136092494 /nfs/dbraw/zinc/09/24/94/136092494.db2.gz OWNIGQWYYVCECT-PSASIEDQSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1CCN(C(=O)NC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000335396282 136092496 /nfs/dbraw/zinc/09/24/96/136092496.db2.gz OWNIGQWYYVCECT-SCZZXKLOSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1CCN(C(=O)NC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000335396283 136092710 /nfs/dbraw/zinc/09/27/10/136092710.db2.gz OWNIGQWYYVCECT-WCBMZHEXSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1CCN(C(=O)NC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000335396284 136092784 /nfs/dbraw/zinc/09/27/84/136092784.db2.gz OWNIGQWYYVCECT-WPRPVWTQSA-N 2 0 226.324 -0.273 20 0 BBADRP O=C1NCC[C@@H]1[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335396355 136092415 /nfs/dbraw/zinc/09/24/15/136092415.db2.gz PCBLTBYMKJRQFQ-JTQLQIEISA-N 2 0 223.320 -0.050 20 0 BBADRP O=C1NCC[C@H]1[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335396357 136092492 /nfs/dbraw/zinc/09/24/92/136092492.db2.gz PCBLTBYMKJRQFQ-SNVBAGLBSA-N 2 0 223.320 -0.050 20 0 BBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3C[NH2+]C3)C2)C1 ZINC000335396529 136092724 /nfs/dbraw/zinc/09/27/24/136092724.db2.gz QRIMJFDSERIAON-GFCCVEGCSA-N 2 0 238.335 -0.305 20 0 BBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC3C[NH2+]C3)C2)C1 ZINC000335396530 136092704 /nfs/dbraw/zinc/09/27/04/136092704.db2.gz QRIMJFDSERIAON-LBPRGKRZSA-N 2 0 238.335 -0.305 20 0 BBADRP CNC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335396997 136092944 /nfs/dbraw/zinc/09/29/44/136092944.db2.gz CVEYZEUOCCSHIX-LLVKDONJSA-N 2 0 211.309 -0.192 20 0 BBADRP C[C@@H]1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C[NH3+] ZINC000335397098 136092899 /nfs/dbraw/zinc/09/28/99/136092899.db2.gz VBSGCFPAKUWMEN-BDAKNGLRSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@H]1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C[NH3+] ZINC000335397100 136093130 /nfs/dbraw/zinc/09/31/30/136093130.db2.gz VBSGCFPAKUWMEN-DTWKUNHWSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@H]1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C[NH3+] ZINC000335397102 136093077 /nfs/dbraw/zinc/09/30/77/136093077.db2.gz VBSGCFPAKUWMEN-IUCAKERBSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@@H]1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C[NH3+] ZINC000335397104 136093022 /nfs/dbraw/zinc/09/30/22/136093022.db2.gz VBSGCFPAKUWMEN-RKDXNWHRSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000335397721 136093127 /nfs/dbraw/zinc/09/31/27/136093127.db2.gz WBCRCVGFMOUXHR-WDEREUQCSA-N 2 0 219.288 -0.183 20 0 BBADRP CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335397764 173275053 /nfs/dbraw/zinc/27/50/53/173275053.db2.gz YAKNFXWBMYWTIZ-AOOOYVTPSA-N 2 0 211.309 -0.336 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335397989 136093217 /nfs/dbraw/zinc/09/32/17/136093217.db2.gz ZQNNYAJHYVNERQ-GFCCVEGCSA-N 2 0 238.335 -0.257 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335397990 136093134 /nfs/dbraw/zinc/09/31/34/136093134.db2.gz ZQNNYAJHYVNERQ-LBPRGKRZSA-N 2 0 238.335 -0.257 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335397991 136093132 /nfs/dbraw/zinc/09/31/32/136093132.db2.gz ZRBHZZHPDDTCOI-GFCCVEGCSA-N 2 0 238.335 -0.257 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335397992 136093236 /nfs/dbraw/zinc/09/32/36/136093236.db2.gz ZRBHZZHPDDTCOI-LBPRGKRZSA-N 2 0 238.335 -0.257 20 0 BBADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000335399207 136093769 /nfs/dbraw/zinc/09/37/69/136093769.db2.gz MWQCMSJRFZQJEB-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000335399209 136093649 /nfs/dbraw/zinc/09/36/49/136093649.db2.gz MWQCMSJRFZQJEB-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000335399211 136093830 /nfs/dbraw/zinc/09/38/30/136093830.db2.gz MWQCMSJRFZQJEB-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000335399213 136093956 /nfs/dbraw/zinc/09/39/56/136093956.db2.gz MWQCMSJRFZQJEB-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC000335399987 136093644 /nfs/dbraw/zinc/09/36/44/136093644.db2.gz QNNJHJLCJAKBJA-ULKQDVFKSA-N 2 0 223.320 -0.005 20 0 BBADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000335400915 136094167 /nfs/dbraw/zinc/09/41/67/136094167.db2.gz RYURBTPEKAXUAF-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](C(=O)N[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000335400917 385591238 /nfs/dbraw/zinc/59/12/38/385591238.db2.gz RYURBTPEKAXUAF-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](C(=O)N[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000335400919 136094304 /nfs/dbraw/zinc/09/43/04/136094304.db2.gz RYURBTPEKAXUAF-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000335400921 384712167 /nfs/dbraw/zinc/71/21/67/384712167.db2.gz RYURBTPEKAXUAF-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000335402334 182119072 /nfs/dbraw/zinc/11/90/72/182119072.db2.gz BBCZRYRIFFIEEW-UHFFFAOYSA-N 2 0 238.335 -0.162 20 0 BBADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335403628 386557401 /nfs/dbraw/zinc/55/74/01/386557401.db2.gz LWDINMAOEDWLJD-GXSJLCMTSA-N 2 0 238.335 -0.164 20 0 BBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335403629 386558565 /nfs/dbraw/zinc/55/85/65/386558565.db2.gz LWDINMAOEDWLJD-KOLCDFICSA-N 2 0 238.335 -0.164 20 0 BBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335403630 386558049 /nfs/dbraw/zinc/55/80/49/386558049.db2.gz LWDINMAOEDWLJD-MWLCHTKSSA-N 2 0 238.335 -0.164 20 0 BBADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1C[NH2+]C1 ZINC000335403632 386558125 /nfs/dbraw/zinc/55/81/25/386558125.db2.gz LWDINMAOEDWLJD-ONGXEEELSA-N 2 0 238.335 -0.164 20 0 BBADRP CC1(C(=O)N2CCC3(CC[NH2+]3)CC2)C[NH2+]C1 ZINC000335405839 386564398 /nfs/dbraw/zinc/56/43/98/386564398.db2.gz HXDGYXRXZYHWFH-UHFFFAOYSA-N 2 0 223.320 -0.050 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC000335406296 386566104 /nfs/dbraw/zinc/56/61/04/386566104.db2.gz JXHDCXWYEMWHDG-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC000335406298 386565348 /nfs/dbraw/zinc/56/53/48/386565348.db2.gz JXHDCXWYEMWHDG-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP CC1(C(=O)N2CCC[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000335409031 386570465 /nfs/dbraw/zinc/57/04/65/386570465.db2.gz HOTPRXAUWUJAFG-SECBINFHSA-N 2 0 211.309 -0.207 20 0 BBADRP CC1(C(=O)N2CCC[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000335409032 133858493 /nfs/dbraw/zinc/85/84/93/133858493.db2.gz HOTPRXAUWUJAFG-VIFPVBQESA-N 2 0 211.309 -0.207 20 0 BBADRP C[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[NH2+]1 ZINC000335409035 386570676 /nfs/dbraw/zinc/57/06/76/386570676.db2.gz HSSXNKLBUGRGFB-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335413502 386577169 /nfs/dbraw/zinc/57/71/69/386577169.db2.gz NWUOWPGZYNABDX-BDAKNGLRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335413503 386578297 /nfs/dbraw/zinc/57/82/97/386578297.db2.gz NWUOWPGZYNABDX-DTWKUNHWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335413504 386576817 /nfs/dbraw/zinc/57/68/17/386576817.db2.gz NWUOWPGZYNABDX-IUCAKERBSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335413505 386578676 /nfs/dbraw/zinc/57/86/76/386578676.db2.gz NWUOWPGZYNABDX-RKDXNWHRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(C)C[NH2+]C1 ZINC000335414360 386580724 /nfs/dbraw/zinc/58/07/24/386580724.db2.gz RHKHHEBENSUFNY-BDAKNGLRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(C)C[NH2+]C1 ZINC000335414368 133860235 /nfs/dbraw/zinc/86/02/35/133860235.db2.gz RHKHHEBENSUFNY-DTWKUNHWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(C)C[NH2+]C1 ZINC000335414384 386579710 /nfs/dbraw/zinc/57/97/10/386579710.db2.gz RHKHHEBENSUFNY-IUCAKERBSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(C)C[NH2+]C1 ZINC000335414390 176412867 /nfs/dbraw/zinc/41/28/67/176412867.db2.gz RHKHHEBENSUFNY-RKDXNWHRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335414416 386579551 /nfs/dbraw/zinc/57/95/51/386579551.db2.gz RKYWAZQMABLHBR-MRVPVSSYSA-N 2 0 214.313 -0.273 20 0 BBADRP CC1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]C1 ZINC000335420905 386592302 /nfs/dbraw/zinc/59/23/02/386592302.db2.gz CWBCUWVINWRFAO-NXEZZACHSA-N 2 0 223.320 -0.336 20 0 BBADRP CC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]C1 ZINC000335420906 386591471 /nfs/dbraw/zinc/59/14/71/386591471.db2.gz CWBCUWVINWRFAO-UWVGGRQHSA-N 2 0 223.320 -0.336 20 0 BBADRP CC1(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C[NH2+]C1 ZINC000335420908 386592519 /nfs/dbraw/zinc/59/25/19/386592519.db2.gz CWBCUWVINWRFAO-VHSXEESVSA-N 2 0 223.320 -0.336 20 0 BBADRP CC1(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[NH2+]C1 ZINC000335420909 386592207 /nfs/dbraw/zinc/59/22/07/386592207.db2.gz CWBCUWVINWRFAO-ZJUUUORDSA-N 2 0 223.320 -0.336 20 0 BBADRP C[NH2+]C[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335422030 536467258 /nfs/dbraw/zinc/46/72/58/536467258.db2.gz HKAMEXJWYRGBOO-SECBINFHSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335422031 133862442 /nfs/dbraw/zinc/86/24/42/133862442.db2.gz HKAMEXJWYRGBOO-VIFPVBQESA-N 2 0 211.309 -0.336 20 0 BBADRP CC1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C[NH2+]C1 ZINC000335423168 386596448 /nfs/dbraw/zinc/59/64/48/386596448.db2.gz MDMJGKIIQGPAAT-NXEZZACHSA-N 2 0 223.320 -0.194 20 0 BBADRP CC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[NH2+]C1 ZINC000335423169 386595588 /nfs/dbraw/zinc/59/55/88/386595588.db2.gz MDMJGKIIQGPAAT-UWVGGRQHSA-N 2 0 223.320 -0.194 20 0 BBADRP CC1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C[NH2+]C1 ZINC000335423170 386596952 /nfs/dbraw/zinc/59/69/52/386596952.db2.gz MDMJGKIIQGPAAT-VHSXEESVSA-N 2 0 223.320 -0.194 20 0 BBADRP CC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[NH2+]C1 ZINC000335423171 386595983 /nfs/dbraw/zinc/59/59/83/386595983.db2.gz MDMJGKIIQGPAAT-ZJUUUORDSA-N 2 0 223.320 -0.194 20 0 BBADRP CC1(C(=O)NCC2=CC[NH2+]CC2)C[NH2+]C1 ZINC000335424080 133863255 /nfs/dbraw/zinc/86/32/55/133863255.db2.gz CJWJXWYWXQOHKG-UHFFFAOYSA-N 2 0 209.293 -0.368 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000335424507 386600216 /nfs/dbraw/zinc/60/02/16/386600216.db2.gz RQSGKPLRTOGTQZ-NXEZZACHSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000335424509 386601150 /nfs/dbraw/zinc/60/11/50/386601150.db2.gz RQSGKPLRTOGTQZ-UWVGGRQHSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000335424510 386600526 /nfs/dbraw/zinc/60/05/26/386600526.db2.gz RQSGKPLRTOGTQZ-VHSXEESVSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000335424513 386601495 /nfs/dbraw/zinc/60/14/95/386601495.db2.gz RQSGKPLRTOGTQZ-ZJUUUORDSA-N 2 0 223.320 -0.064 20 0 BBADRP C[NH2+]C1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335425245 173322315 /nfs/dbraw/zinc/32/23/15/173322315.db2.gz ZWNUBEAQIBYNPE-UHFFFAOYSA-N 2 0 211.309 -0.194 20 0 BBADRP CC1(C(=O)N2CC[C@@](C)(C[NH3+])C2)C[NH2+]C1 ZINC000335426517 386479984 /nfs/dbraw/zinc/47/99/84/386479984.db2.gz XJFJLUBDVCEFMM-JTQLQIEISA-N 2 0 211.309 -0.207 20 0 BBADRP CC1(C(=O)N2CC[C@](C)(C[NH3+])C2)C[NH2+]C1 ZINC000335426518 386479242 /nfs/dbraw/zinc/47/92/42/386479242.db2.gz XJFJLUBDVCEFMM-SNVBAGLBSA-N 2 0 211.309 -0.207 20 0 BBADRP CC(C)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000335431578 384273529 /nfs/dbraw/zinc/27/35/29/384273529.db2.gz JCPBOUOFJDSXFB-SNVBAGLBSA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000335441530 133847164 /nfs/dbraw/zinc/84/71/64/133847164.db2.gz DCMDWIVHPICHIX-BDAKNGLRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000335441531 386501448 /nfs/dbraw/zinc/50/14/48/386501448.db2.gz DCMDWIVHPICHIX-DTWKUNHWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000335441532 386501896 /nfs/dbraw/zinc/50/18/96/386501896.db2.gz DCMDWIVHPICHIX-IUCAKERBSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000335441533 386501193 /nfs/dbraw/zinc/50/11/93/386501193.db2.gz DCMDWIVHPICHIX-RKDXNWHRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335455238 386530580 /nfs/dbraw/zinc/53/05/80/386530580.db2.gz PPHHRFZBQWDXDC-DTORHVGOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000335461971 386546562 /nfs/dbraw/zinc/54/65/62/386546562.db2.gz GVSJRKQBPLQQJF-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000335461972 386545753 /nfs/dbraw/zinc/54/57/53/386545753.db2.gz GVSJRKQBPLQQJF-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000335461973 386546092 /nfs/dbraw/zinc/54/60/92/386546092.db2.gz GVSJRKQBPLQQJF-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000335461974 386545505 /nfs/dbraw/zinc/54/55/05/386545505.db2.gz GVSJRKQBPLQQJF-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[NH2+]CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000335462346 386544847 /nfs/dbraw/zinc/54/48/47/386544847.db2.gz DMBWUJOJVYXQLB-UHFFFAOYSA-N 2 0 211.309 -0.098 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335462989 386547952 /nfs/dbraw/zinc/54/79/52/386547952.db2.gz JCXZFLDZHBVCCK-SNVBAGLBSA-N 2 0 209.293 -0.345 20 0 BBADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335464308 384292471 /nfs/dbraw/zinc/29/24/71/384292471.db2.gz PDUPZKOXMWPSHI-NXEZZACHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335464309 172483675 /nfs/dbraw/zinc/48/36/75/172483675.db2.gz PDUPZKOXMWPSHI-VHSXEESVSA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335465102 386551559 /nfs/dbraw/zinc/55/15/59/386551559.db2.gz SQIAFRMYAUQOEU-SECBINFHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335465104 386551198 /nfs/dbraw/zinc/55/11/98/386551198.db2.gz SQIAFRMYAUQOEU-VIFPVBQESA-N 2 0 211.309 -0.112 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000335465436 386551506 /nfs/dbraw/zinc/55/15/06/386551506.db2.gz SLKAIRBIXAAKOK-PSASIEDQSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000335465437 386550835 /nfs/dbraw/zinc/55/08/35/386550835.db2.gz SLKAIRBIXAAKOK-SCZZXKLOSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000335465438 386551721 /nfs/dbraw/zinc/55/17/21/386551721.db2.gz SLKAIRBIXAAKOK-WCBMZHEXSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2C[NH2+]C2)C1 ZINC000335465439 386552143 /nfs/dbraw/zinc/55/21/43/386552143.db2.gz SLKAIRBIXAAKOK-WPRPVWTQSA-N 2 0 211.309 -0.290 20 0 BBADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000335470102 386688211 /nfs/dbraw/zinc/68/82/11/386688211.db2.gz LWMBTNGXJIUCKN-DTORHVGOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335471836 386692363 /nfs/dbraw/zinc/69/23/63/386692363.db2.gz FRLLFUNGBLEFIG-AOOOYVTPSA-N 2 0 211.309 -0.112 20 0 BBADRP CC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]C1 ZINC000335476089 583085875 /nfs/dbraw/zinc/08/58/75/583085875.db2.gz BMXVCQQXHBNDTA-DTORHVGOSA-N 2 0 209.293 -0.726 20 0 BBADRP [NH3+]CC1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335478152 181365510 /nfs/dbraw/zinc/36/55/10/181365510.db2.gz LGEUNHRBQGWQKQ-AOOOYVTPSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]CC1(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000335479299 490395644 /nfs/dbraw/zinc/39/56/44/490395644.db2.gz LDBCDGNNXMOXNP-AOOOYVTPSA-N 2 0 223.320 -0.207 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CC[NH2+]1 ZINC000335480663 176372744 /nfs/dbraw/zinc/37/27/44/176372744.db2.gz SBVDVXNXLQBGJR-BDAKNGLRSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CC[NH2+]1 ZINC000335480664 386707245 /nfs/dbraw/zinc/70/72/45/386707245.db2.gz SBVDVXNXLQBGJR-DTWKUNHWSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CC[NH2+]1 ZINC000335480665 386707130 /nfs/dbraw/zinc/70/71/30/386707130.db2.gz SBVDVXNXLQBGJR-IUCAKERBSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CC[NH2+]1 ZINC000335480666 386707038 /nfs/dbraw/zinc/70/70/38/386707038.db2.gz SBVDVXNXLQBGJR-RKDXNWHRSA-N 2 0 211.309 -0.147 20 0 BBADRP [NH3+]C1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCC1 ZINC000335480877 386707792 /nfs/dbraw/zinc/70/77/92/386707792.db2.gz YENLXIUEBZSFQW-KCJUWKMLSA-N 2 0 209.293 -0.264 20 0 BBADRP [NH3+]C1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000335481693 386709796 /nfs/dbraw/zinc/70/97/96/386709796.db2.gz XQNSXTAHCDDVEI-DTORHVGOSA-N 2 0 209.293 -0.454 20 0 BBADRP CC1(C(=O)NC[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC000335489811 386606623 /nfs/dbraw/zinc/60/66/23/386606623.db2.gz XUZSUADBHXINGF-SECBINFHSA-N 2 0 211.309 -0.288 20 0 BBADRP CC1(C(=O)NC[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC000335489816 133864639 /nfs/dbraw/zinc/86/46/39/133864639.db2.gz XUZSUADBHXINGF-VIFPVBQESA-N 2 0 211.309 -0.288 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000335497072 386620252 /nfs/dbraw/zinc/62/02/52/386620252.db2.gz UAZBIWKHRXYYBE-BDAKNGLRSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000335497073 386621595 /nfs/dbraw/zinc/62/15/95/386621595.db2.gz UAZBIWKHRXYYBE-RKDXNWHRSA-N 2 0 211.309 -0.147 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000335506343 398341614 /nfs/dbraw/zinc/34/16/14/398341614.db2.gz YPKMZJJNXMCUGQ-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000335506344 398341648 /nfs/dbraw/zinc/34/16/48/398341648.db2.gz YPKMZJJNXMCUGQ-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335513143 635881473 /nfs/dbraw/zinc/88/14/73/635881473.db2.gz KAKDQIQRPLGWKE-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335513145 634481690 /nfs/dbraw/zinc/48/16/90/634481690.db2.gz KAKDQIQRPLGWKE-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335513148 634481213 /nfs/dbraw/zinc/48/12/13/634481213.db2.gz KAKDQIQRPLGWKE-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335513150 634480517 /nfs/dbraw/zinc/48/05/17/634480517.db2.gz KAKDQIQRPLGWKE-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000335565059 136107444 /nfs/dbraw/zinc/10/74/44/136107444.db2.gz MVKZESZYACQJJK-DTORHVGOSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000335565060 136107418 /nfs/dbraw/zinc/10/74/18/136107418.db2.gz MVKZESZYACQJJK-IUCAKERBSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000335565061 176242623 /nfs/dbraw/zinc/24/26/23/176242623.db2.gz MVKZESZYACQJJK-RKDXNWHRSA-N 2 0 211.309 -0.195 20 0 BBADRP CNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335570539 173273534 /nfs/dbraw/zinc/27/35/34/173273534.db2.gz BBZYFIJAJIWSDQ-UHFFFAOYSA-N 2 0 211.309 -0.192 20 0 BBADRP [NH3+]CC1(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000335599681 136114162 /nfs/dbraw/zinc/11/41/62/136114162.db2.gz VWVVOWMBHRQEII-ZJUUUORDSA-N 2 0 223.320 -0.064 20 0 BBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH3+] ZINC000335604894 136235890 /nfs/dbraw/zinc/23/58/90/136235890.db2.gz FILZBVUIJJKWSN-JTQLQIEISA-N 2 0 228.340 -0.073 20 0 BBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH3+] ZINC000335604895 136235846 /nfs/dbraw/zinc/23/58/46/136235846.db2.gz FILZBVUIJJKWSN-SNVBAGLBSA-N 2 0 228.340 -0.073 20 0 BBADRP C[C@]1(CNC(=O)C2([NH3+])CC2)CCC[NH2+]C1 ZINC000335605376 384377860 /nfs/dbraw/zinc/37/78/60/384377860.db2.gz WUUFHSGKFQCBBO-JTQLQIEISA-N 2 0 211.309 -0.016 20 0 BBADRP C[C@@]1(CNC(=O)C2([NH3+])CC2)CCC[NH2+]C1 ZINC000335605377 176531359 /nfs/dbraw/zinc/53/13/59/176531359.db2.gz WUUFHSGKFQCBBO-SNVBAGLBSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000335609468 136238985 /nfs/dbraw/zinc/23/89/85/136238985.db2.gz WPVXKVRZTMHVTE-UHFFFAOYSA-N 2 0 226.324 -0.175 20 0 BBADRP C[C@@H]1CN(C(=O)NCC[NH3+])C[C@H](C)[N@H+]1C ZINC000335609469 136239265 /nfs/dbraw/zinc/23/92/65/136239265.db2.gz WSWWAURHXBGHHN-DTORHVGOSA-N 2 0 214.313 -0.321 20 0 BBADRP CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC000335618514 167866772 /nfs/dbraw/zinc/86/67/72/167866772.db2.gz NFZRPUYXMZFMMV-ZJUUUORDSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@]1(CNC(=O)[C@H]2CC[NH2+]2)CCC[NH2+]C1 ZINC000335619784 384395367 /nfs/dbraw/zinc/39/53/67/384395367.db2.gz CTSAPPNCDSFPDV-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@]1(CNC(=O)[C@H]2CC[NH2+]2)CCC[NH2+]C1 ZINC000335619785 384394451 /nfs/dbraw/zinc/39/44/51/384394451.db2.gz CTSAPPNCDSFPDV-MWLCHTKSSA-N 2 0 211.309 -0.146 20 0 BBADRP CC1(CNC(=O)[C@H]2CC[NH2+]2)CC[NH2+]CC1 ZINC000335619798 168036623 /nfs/dbraw/zinc/03/66/23/168036623.db2.gz MKPOPOMWECXGRT-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000335621028 384393907 /nfs/dbraw/zinc/39/39/07/384393907.db2.gz HWYGFZKDHBITSY-GXSJLCMTSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000335621029 384392743 /nfs/dbraw/zinc/39/27/43/384392743.db2.gz HWYGFZKDHBITSY-KOLCDFICSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000335621030 384392818 /nfs/dbraw/zinc/39/28/18/384392818.db2.gz HWYGFZKDHBITSY-MWLCHTKSSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000335621031 384391971 /nfs/dbraw/zinc/39/19/71/384391971.db2.gz HWYGFZKDHBITSY-ONGXEEELSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]1CN(C(=O)NCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000335621118 136239408 /nfs/dbraw/zinc/23/94/08/136239408.db2.gz IUKCYDPSWTXAEP-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCC[NH3+] ZINC000335621119 136239627 /nfs/dbraw/zinc/23/96/27/136239627.db2.gz IUKCYDPSWTXAEP-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]1CN(C(=O)NCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000335621120 136239511 /nfs/dbraw/zinc/23/95/11/136239511.db2.gz IUKCYDPSWTXAEP-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]1CN(C(=O)NCCC[NH3+])[C@H](C)C[NH2+]1 ZINC000335621121 136239703 /nfs/dbraw/zinc/23/97/03/136239703.db2.gz IUKCYDPSWTXAEP-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)NCCC[NH3+])[C@H]1C ZINC000335622512 136239855 /nfs/dbraw/zinc/23/98/55/136239855.db2.gz NKYHZDCZWZKYMM-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCC[NH3+] ZINC000335622518 136240100 /nfs/dbraw/zinc/24/01/00/136240100.db2.gz NKYHZDCZWZKYMM-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)NCCC[NH3+])[C@H]1C ZINC000335622527 136240084 /nfs/dbraw/zinc/24/00/84/136240084.db2.gz NKYHZDCZWZKYMM-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)NCCC[NH3+])[C@@H]1C ZINC000335622530 136239936 /nfs/dbraw/zinc/23/99/36/136239936.db2.gz NKYHZDCZWZKYMM-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000335623994 173339726 /nfs/dbraw/zinc/33/97/26/173339726.db2.gz ZIVNAKIXUDDCAV-AOOOYVTPSA-N 2 0 211.309 -0.051 20 0 BBADRP CC1(C)CN(C(=O)NCCC[NH3+])CC[NH2+]1 ZINC000335624354 136299361 /nfs/dbraw/zinc/29/93/61/136299361.db2.gz WPGRLEYZOOGTSD-UHFFFAOYSA-N 2 0 214.313 -0.271 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000335624550 187231658 /nfs/dbraw/zinc/23/16/58/187231658.db2.gz NBDMKWICNXJGSC-GZMMTYOYSA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000335624552 388451962 /nfs/dbraw/zinc/45/19/62/388451962.db2.gz NBDMKWICNXJGSC-KCJUWKMLSA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000335624554 188256665 /nfs/dbraw/zinc/25/66/65/188256665.db2.gz NBDMKWICNXJGSC-KWQFWETISA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000335624556 187230926 /nfs/dbraw/zinc/23/09/26/187230926.db2.gz NBDMKWICNXJGSC-LDYMZIIASA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000335624972 181330295 /nfs/dbraw/zinc/33/02/95/181330295.db2.gz WGAFBJKZEMRAMD-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP CC1(C)CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC[NH2+]1 ZINC000335626388 136240631 /nfs/dbraw/zinc/24/06/31/136240631.db2.gz CYXOUIIUYUHQHA-SKDRFNHKSA-N 2 0 223.320 -0.051 20 0 BBADRP CC1(C)CN(C(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000335628175 347263736 /nfs/dbraw/zinc/26/37/36/347263736.db2.gz XLHIBMISHWLLSL-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP CC1(C)CN(C(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000335628176 136241128 /nfs/dbraw/zinc/24/11/28/136241128.db2.gz XLHIBMISHWLLSL-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP [NH3+]C1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC000335629248 181328785 /nfs/dbraw/zinc/32/87/85/181328785.db2.gz OJBLCJWRBQEXPG-BRPSZJMVSA-N 2 0 209.293 -0.408 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335630154 538097824 /nfs/dbraw/zinc/09/78/24/538097824.db2.gz XYOUMUKSZSUWHO-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335630155 176748060 /nfs/dbraw/zinc/74/80/60/176748060.db2.gz XYOUMUKSZSUWHO-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335631668 136300298 /nfs/dbraw/zinc/30/02/98/136300298.db2.gz PSOVGUPMOHJCJW-SECBINFHSA-N 2 0 205.261 -0.138 20 0 BBADRP [NH3+]CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335631670 136300346 /nfs/dbraw/zinc/30/03/46/136300346.db2.gz PSOVGUPMOHJCJW-VIFPVBQESA-N 2 0 205.261 -0.138 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335636386 711728736 /nfs/dbraw/zinc/72/87/36/711728736.db2.gz BOPTUAIMMGODOE-LLVKDONJSA-N 2 0 211.309 -0.050 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335636388 711728739 /nfs/dbraw/zinc/72/87/39/711728739.db2.gz BOPTUAIMMGODOE-NSHDSACASA-N 2 0 211.309 -0.050 20 0 BBADRP CC1(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000335643162 136303549 /nfs/dbraw/zinc/30/35/49/136303549.db2.gz JSJYSFWVLPOTPP-DTORHVGOSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C(=O)NC2CCC([NH3+])CC2)C[NH2+]C1 ZINC000335648682 384428996 /nfs/dbraw/zinc/42/89/96/384428996.db2.gz IQFXNWVHZAVFPL-UHFFFAOYSA-N 2 0 211.309 -0.018 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000335648749 136304726 /nfs/dbraw/zinc/30/47/26/136304726.db2.gz KMGNJGJPSONCFR-SECBINFHSA-N 2 0 211.309 -0.336 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000335648751 388452880 /nfs/dbraw/zinc/45/28/80/388452880.db2.gz KMGNJGJPSONCFR-VIFPVBQESA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH+](C)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335652841 136305810 /nfs/dbraw/zinc/30/58/10/136305810.db2.gz CFFZHKKNIUPMQX-SSDOTTSWSA-N 2 0 221.251 -0.339 20 0 BBADRP C[NH+](C)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335652848 136305600 /nfs/dbraw/zinc/30/56/00/136305600.db2.gz CFFZHKKNIUPMQX-ZETCQYMHSA-N 2 0 221.251 -0.339 20 0 BBADRP [NH3+][C@H](C(=O)N1CCC[NH2+]CC1)C1CCC1 ZINC000335652869 384440650 /nfs/dbraw/zinc/44/06/50/384440650.db2.gz CPICGRRJVGSPOQ-JTQLQIEISA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@@H](C(=O)N1CCC[NH2+]CC1)C1CCC1 ZINC000335652870 135419993 /nfs/dbraw/zinc/41/99/93/135419993.db2.gz CPICGRRJVGSPOQ-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CC[NH2+]1 ZINC000335652879 136305831 /nfs/dbraw/zinc/30/58/31/136305831.db2.gz DCODEDIGOQTHJU-RNFRBKRXSA-N 2 0 219.235 -0.538 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CC[NH2+]1 ZINC000335652880 136305646 /nfs/dbraw/zinc/30/56/46/136305646.db2.gz DCODEDIGOQTHJU-RQJHMYQMSA-N 2 0 219.235 -0.538 20 0 BBADRP CC(C)([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335652897 136305516 /nfs/dbraw/zinc/30/55/16/136305516.db2.gz DYVONKXLUMRGJJ-LURJTMIESA-N 2 0 221.251 -0.163 20 0 BBADRP CC(C)([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335652898 136305666 /nfs/dbraw/zinc/30/56/66/136305666.db2.gz DYVONKXLUMRGJJ-ZCFIWIBFSA-N 2 0 221.251 -0.163 20 0 BBADRP C[C@H]([NH3+])CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335653346 136305618 /nfs/dbraw/zinc/30/56/18/136305618.db2.gz IDADNTYZACMPAF-BQBZGAKWSA-N 2 0 221.251 -0.163 20 0 BBADRP C[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335653447 136305763 /nfs/dbraw/zinc/30/57/63/136305763.db2.gz IDADNTYZACMPAF-NKWVEPMBSA-N 2 0 221.251 -0.163 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335653448 136305576 /nfs/dbraw/zinc/30/55/76/136305576.db2.gz IDADNTYZACMPAF-RNFRBKRXSA-N 2 0 221.251 -0.163 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335653449 136305682 /nfs/dbraw/zinc/30/56/82/136305682.db2.gz IDADNTYZACMPAF-RQJHMYQMSA-N 2 0 221.251 -0.163 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335653523 136305684 /nfs/dbraw/zinc/30/56/84/136305684.db2.gz KPILNYPWBWYANA-BQBZGAKWSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335653524 136305728 /nfs/dbraw/zinc/30/57/28/136305728.db2.gz KPILNYPWBWYANA-NKWVEPMBSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335653525 136305552 /nfs/dbraw/zinc/30/55/52/136305552.db2.gz KPILNYPWBWYANA-RNFRBKRXSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335653526 136305858 /nfs/dbraw/zinc/30/58/58/136305858.db2.gz KPILNYPWBWYANA-RQJHMYQMSA-N 2 0 221.251 -0.305 20 0 BBADRP [NH3+]C1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000335653531 136305595 /nfs/dbraw/zinc/30/55/95/136305595.db2.gz KTAPBWOCMZQHCN-SSDOTTSWSA-N 2 0 233.262 -0.019 20 0 BBADRP [NH3+]C1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000335653532 136305444 /nfs/dbraw/zinc/30/54/44/136305444.db2.gz KTAPBWOCMZQHCN-ZETCQYMHSA-N 2 0 233.262 -0.019 20 0 BBADRP [NH3+]CCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335653794 136305981 /nfs/dbraw/zinc/30/59/81/136305981.db2.gz LJSFWSMYZXUEAB-LURJTMIESA-N 2 0 207.224 -0.551 20 0 BBADRP [NH3+]CCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335653795 136306101 /nfs/dbraw/zinc/30/61/01/136306101.db2.gz LJSFWSMYZXUEAB-ZCFIWIBFSA-N 2 0 207.224 -0.551 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000335653796 136306309 /nfs/dbraw/zinc/30/63/09/136306309.db2.gz LNMRRAKNKHJUAL-HTQZYQBOSA-N 2 0 233.262 -0.291 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000335653798 136306226 /nfs/dbraw/zinc/30/62/26/136306226.db2.gz LNMRRAKNKHJUAL-SFYZADRCSA-N 2 0 233.262 -0.291 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335654655 136306092 /nfs/dbraw/zinc/30/60/92/136306092.db2.gz YAFHGNMVKZZFMI-BQBZGAKWSA-N 2 0 221.251 -0.163 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335654656 136306134 /nfs/dbraw/zinc/30/61/34/136306134.db2.gz YAFHGNMVKZZFMI-NKWVEPMBSA-N 2 0 221.251 -0.163 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335654725 136306166 /nfs/dbraw/zinc/30/61/66/136306166.db2.gz ZYLNWBDQPHXIEI-LURJTMIESA-N 2 0 207.224 -0.681 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335654726 136306045 /nfs/dbraw/zinc/30/60/45/136306045.db2.gz ZYLNWBDQPHXIEI-ZCFIWIBFSA-N 2 0 207.224 -0.681 20 0 BBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH3+])C1 ZINC000335655325 536473474 /nfs/dbraw/zinc/47/34/74/536473474.db2.gz ABOVWQRMBTYVRZ-NXEZZACHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH3+])C1 ZINC000335655326 136306573 /nfs/dbraw/zinc/30/65/73/136306573.db2.gz ABOVWQRMBTYVRZ-UWVGGRQHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH3+])C1 ZINC000335655327 173136658 /nfs/dbraw/zinc/13/66/58/173136658.db2.gz ABOVWQRMBTYVRZ-VHSXEESVSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH3+])C1 ZINC000335655328 136306605 /nfs/dbraw/zinc/30/66/05/136306605.db2.gz ABOVWQRMBTYVRZ-ZJUUUORDSA-N 2 0 211.309 -0.112 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335659267 136307293 /nfs/dbraw/zinc/30/72/93/136307293.db2.gz ZZGJDRLDQZPVOJ-BDAKNGLRSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335659269 136307448 /nfs/dbraw/zinc/30/74/48/136307448.db2.gz ZZGJDRLDQZPVOJ-DTWKUNHWSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335659271 136307423 /nfs/dbraw/zinc/30/74/23/136307423.db2.gz ZZGJDRLDQZPVOJ-IUCAKERBSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335659273 136307393 /nfs/dbraw/zinc/30/73/93/136307393.db2.gz ZZGJDRLDQZPVOJ-RKDXNWHRSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[NH2+]CC1 ZINC000335660520 175858024 /nfs/dbraw/zinc/85/80/24/175858024.db2.gz BKENBZBUBBUTHY-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[NH2+]CC1 ZINC000335660521 384463157 /nfs/dbraw/zinc/46/31/57/384463157.db2.gz BKENBZBUBBUTHY-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP [NH3+]CCCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000335662245 181371202 /nfs/dbraw/zinc/37/12/02/181371202.db2.gz HXDJGXDIGAFLTG-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000335663256 136316008 /nfs/dbraw/zinc/31/60/08/136316008.db2.gz UVLLXNWOYSPKAS-LURJTMIESA-N 2 0 219.235 -0.409 20 0 BBADRP [NH3+]C1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000335663272 136316202 /nfs/dbraw/zinc/31/62/02/136316202.db2.gz UVLLXNWOYSPKAS-ZCFIWIBFSA-N 2 0 219.235 -0.409 20 0 BBADRP C[NH2+]CCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000335664173 136315903 /nfs/dbraw/zinc/31/59/03/136315903.db2.gz WAXHNYKBLMVESJ-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335667517 538098724 /nfs/dbraw/zinc/09/87/24/538098724.db2.gz XYOUMUKSZSUWHO-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335667518 538098391 /nfs/dbraw/zinc/09/83/91/538098391.db2.gz XYOUMUKSZSUWHO-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000335678658 136319644 /nfs/dbraw/zinc/31/96/44/136319644.db2.gz JDRADNZWZBVGAB-HTQZYQBOSA-N 2 0 233.262 -0.067 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000335678659 136319392 /nfs/dbraw/zinc/31/93/92/136319392.db2.gz JDRADNZWZBVGAB-JGVFFNPUSA-N 2 0 233.262 -0.067 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000335678660 136319420 /nfs/dbraw/zinc/31/94/20/136319420.db2.gz JDRADNZWZBVGAB-SFYZADRCSA-N 2 0 233.262 -0.067 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000335678661 136319662 /nfs/dbraw/zinc/31/96/62/136319662.db2.gz JDRADNZWZBVGAB-YUMQZZPRSA-N 2 0 233.262 -0.067 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000335722087 136346176 /nfs/dbraw/zinc/34/61/76/136346176.db2.gz RCGNXDXDSNRART-JOYOIKCWSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NCC1C[NH2+]C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000336144944 134100330 /nfs/dbraw/zinc/10/03/30/134100330.db2.gz BTULTWLVOXBDNE-ZYHUDNBSSA-N 2 0 223.320 -0.288 20 0 BBADRP CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000336203717 172327515 /nfs/dbraw/zinc/32/75/15/172327515.db2.gz MQYNHWIEXCTRLC-XNWIYYODSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@H]1C ZINC000336212843 134135354 /nfs/dbraw/zinc/13/53/54/134135354.db2.gz QWZZFAISJTYINV-BDAKNGLRSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C[C@H]1C ZINC000336212844 134135023 /nfs/dbraw/zinc/13/50/23/134135023.db2.gz QWZZFAISJTYINV-RKDXNWHRSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000336212927 134135036 /nfs/dbraw/zinc/13/50/36/134135036.db2.gz XFSDNJRPEKQLHK-DTWKUNHWSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000336212928 134135256 /nfs/dbraw/zinc/13/52/56/134135256.db2.gz XFSDNJRPEKQLHK-IUCAKERBSA-N 2 0 211.309 -0.053 20 0 BBADRP [NH3+]CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336268317 181366258 /nfs/dbraw/zinc/36/62/58/181366258.db2.gz SQOJZXNKOSYPRI-LLVKDONJSA-N 2 0 211.309 -0.063 20 0 BBADRP [NH3+]CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336268318 181366256 /nfs/dbraw/zinc/36/62/56/181366256.db2.gz SQOJZXNKOSYPRI-NSHDSACASA-N 2 0 211.309 -0.063 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336286732 173339934 /nfs/dbraw/zinc/33/99/34/173339934.db2.gz LIZSGVWZWAWIPE-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP O=C(C1C[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336334275 387160474 /nfs/dbraw/zinc/16/04/74/387160474.db2.gz NCGSSNQRPBOCID-GFCCVEGCSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C(C1C[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336334281 387161396 /nfs/dbraw/zinc/16/13/96/387161396.db2.gz NCGSSNQRPBOCID-LBPRGKRZSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C(C1C[NH2+]C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000336393226 398331550 /nfs/dbraw/zinc/33/15/50/398331550.db2.gz CQFAQLCFNYXNLM-UHFFFAOYSA-N 2 0 223.320 -0.192 20 0 BBADRP CN(C(=O)C1C[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336393284 172299230 /nfs/dbraw/zinc/29/92/30/172299230.db2.gz WJAKJQIYENHXAC-ZACCUICWSA-N 2 0 223.320 -0.053 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]1 ZINC000336407067 182302190 /nfs/dbraw/zinc/30/21/90/182302190.db2.gz RSWOMGDOZYHEOC-PSASIEDQSA-N 2 0 209.293 -0.299 20 0 BBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]1 ZINC000336407068 182334214 /nfs/dbraw/zinc/33/42/14/182334214.db2.gz RSWOMGDOZYHEOC-WCBMZHEXSA-N 2 0 209.293 -0.299 20 0 BBADRP [NH3+]CC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC000336420559 181359588 /nfs/dbraw/zinc/35/95/88/181359588.db2.gz KMHQVQBULWKEBC-MYJAWHEDSA-N 2 0 223.320 -0.161 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCC1 ZINC000336542654 181330939 /nfs/dbraw/zinc/33/09/39/181330939.db2.gz OMCQRFJGVRTSCA-GXSJLCMTSA-N 2 0 223.320 -0.016 20 0 BBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCC1 ZINC000336542655 181330745 /nfs/dbraw/zinc/33/07/45/181330745.db2.gz OMCQRFJGVRTSCA-KOLCDFICSA-N 2 0 223.320 -0.016 20 0 BBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCC1 ZINC000336542656 181330377 /nfs/dbraw/zinc/33/03/77/181330377.db2.gz OMCQRFJGVRTSCA-MWLCHTKSSA-N 2 0 223.320 -0.016 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCC1 ZINC000336542657 181330481 /nfs/dbraw/zinc/33/04/81/181330481.db2.gz OMCQRFJGVRTSCA-ONGXEEELSA-N 2 0 223.320 -0.016 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000336554370 182119414 /nfs/dbraw/zinc/11/94/14/182119414.db2.gz RRAMWJPJXNOMIE-LDYMZIIASA-N 2 0 209.293 -0.536 20 0 BBADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC1C[NH2+]C1 ZINC000336601213 385555076 /nfs/dbraw/zinc/55/50/76/385555076.db2.gz BRGZNFFYZSHHQL-NXEZZACHSA-N 2 0 211.309 -0.292 20 0 BBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1C[NH2+]C1 ZINC000336601215 188256633 /nfs/dbraw/zinc/25/66/33/188256633.db2.gz BRGZNFFYZSHHQL-UWVGGRQHSA-N 2 0 211.309 -0.292 20 0 BBADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC1C[NH2+]C1 ZINC000336601217 385555538 /nfs/dbraw/zinc/55/55/38/385555538.db2.gz BRGZNFFYZSHHQL-VHSXEESVSA-N 2 0 211.309 -0.292 20 0 BBADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1C[NH2+]C1 ZINC000336601219 187393917 /nfs/dbraw/zinc/39/39/17/187393917.db2.gz BRGZNFFYZSHHQL-ZJUUUORDSA-N 2 0 211.309 -0.292 20 0 BBADRP [NH3+]C1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCCC1 ZINC000336620757 181328833 /nfs/dbraw/zinc/32/88/33/181328833.db2.gz AYSAIWONDYGPQE-MYJAWHEDSA-N 2 0 223.320 -0.018 20 0 BBADRP CC(C)(C)[C@H]([NH2+]CCOCC[NH3+])C(N)=O ZINC000336647363 187992567 /nfs/dbraw/zinc/99/25/67/187992567.db2.gz BVGPSIQKAJDAOZ-MRVPVSSYSA-N 2 0 217.313 -0.549 20 0 BBADRP CC(C)(C)[C@@H]([NH2+]CCOCC[NH3+])C(N)=O ZINC000336647364 386257763 /nfs/dbraw/zinc/25/77/63/386257763.db2.gz BVGPSIQKAJDAOZ-QMMMGPOBSA-N 2 0 217.313 -0.549 20 0 BBADRP C[N@H+](C[C@H](O)CN1CCC[C@@H](O)C1)C1CC1 ZINC000336652487 384626526 /nfs/dbraw/zinc/62/65/26/384626526.db2.gz ILKRNSBTLPKZMR-NEPJUHHUSA-N 2 0 228.336 -0.102 20 0 BBADRP C[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000336661188 386300402 /nfs/dbraw/zinc/30/04/02/386300402.db2.gz FTIFCNZUDMTCPU-GFCCVEGCSA-N 2 0 229.368 -0.064 20 0 BBADRP C[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000336661211 386300843 /nfs/dbraw/zinc/30/08/43/386300843.db2.gz FTIFCNZUDMTCPU-LBPRGKRZSA-N 2 0 229.368 -0.064 20 0 BBADRP CN(C[C@@H](O)C[N@@H+]1CC[C@H](CO)C1)C1CC1 ZINC000336662681 388261086 /nfs/dbraw/zinc/26/10/86/388261086.db2.gz OSNRHJRICUPWHB-CMPLNLGQSA-N 2 0 228.336 -0.244 20 0 BBADRP CN(C[C@H](O)C[N@@H+]1CC[C@H](CO)C1)C1CC1 ZINC000336662686 388261266 /nfs/dbraw/zinc/26/12/66/388261266.db2.gz OSNRHJRICUPWHB-JQWIXIFHSA-N 2 0 228.336 -0.244 20 0 BBADRP CN(C[C@H](O)C[N@@H+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662688 388260916 /nfs/dbraw/zinc/26/09/16/388260916.db2.gz OSNRHJRICUPWHB-PWSUYJOCSA-N 2 0 228.336 -0.244 20 0 BBADRP CN(C[C@@H](O)C[N@@H+]1CC[C@@H](CO)C1)C1CC1 ZINC000336662696 388261053 /nfs/dbraw/zinc/26/10/53/388261053.db2.gz OSNRHJRICUPWHB-ZYHUDNBSSA-N 2 0 228.336 -0.244 20 0 BBADRP C[C@@H]1C[C@H](O)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336667826 386784822 /nfs/dbraw/zinc/78/48/22/386784822.db2.gz QLXUPVLECXHOJW-ADEWGFFLSA-N 2 0 228.336 -0.103 20 0 BBADRP C[C@@H]1C[C@H](O)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336667830 386786047 /nfs/dbraw/zinc/78/60/47/386786047.db2.gz QLXUPVLECXHOJW-USWWRNFRSA-N 2 0 228.336 -0.103 20 0 BBADRP CN(CCOCCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336668461 386792616 /nfs/dbraw/zinc/79/26/16/386792616.db2.gz AIUWASGGOOIJAF-GFCCVEGCSA-N 2 0 246.351 -0.618 20 0 BBADRP CN(CCOCCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336668464 386792130 /nfs/dbraw/zinc/79/21/30/386792130.db2.gz AIUWASGGOOIJAF-LBPRGKRZSA-N 2 0 246.351 -0.618 20 0 BBADRP OCCC[N@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000336703892 385781550 /nfs/dbraw/zinc/78/15/50/385781550.db2.gz OPXPUNLKGROJRY-NSHDSACASA-N 2 0 216.325 -0.337 20 0 BBADRP OCCC[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000336709503 388466412 /nfs/dbraw/zinc/46/64/12/388466412.db2.gz RGSIXHGPPXNEQD-UHFFFAOYSA-N 2 0 216.325 -0.337 20 0 BBADRP C[C@H]1C[N@H+](CCO)CCN1Cc1nccn1C ZINC000336717281 177252843 /nfs/dbraw/zinc/25/28/43/177252843.db2.gz WFIIJPQINSSIPP-NSHDSACASA-N 2 0 238.335 -0.082 20 0 BBADRP COC1(C(=O)NCCC[NH+](C)C)CC[NH2+]CC1 ZINC000336719716 173970413 /nfs/dbraw/zinc/97/04/13/173970413.db2.gz WCHKSEQOGGCOQD-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@]1(O)CC[NH+](C)C1 ZINC000336727635 176275099 /nfs/dbraw/zinc/27/50/99/176275099.db2.gz CCJIAYZIBIIGQH-GRYCIOLGSA-N 2 0 227.352 -0.407 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@]1(O)CC[NH+](C)C1 ZINC000336727642 176277758 /nfs/dbraw/zinc/27/77/58/176277758.db2.gz CCJIAYZIBIIGQH-IJLUTSLNSA-N 2 0 227.352 -0.407 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@]1(O)CC[NH+](C)C1 ZINC000336727643 176276822 /nfs/dbraw/zinc/27/68/22/176276822.db2.gz CCJIAYZIBIIGQH-UTUOFQBUSA-N 2 0 227.352 -0.407 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@]1(O)CC[NH+](C)C1 ZINC000336727645 176273252 /nfs/dbraw/zinc/27/32/52/176273252.db2.gz CCJIAYZIBIIGQH-WOPDTQHZSA-N 2 0 227.352 -0.407 20 0 BBADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000336730408 173054790 /nfs/dbraw/zinc/05/47/90/173054790.db2.gz XZDBJDOCBRPUKV-CMPLNLGQSA-N 2 0 241.335 -0.607 20 0 BBADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000336730411 173053591 /nfs/dbraw/zinc/05/35/91/173053591.db2.gz XZDBJDOCBRPUKV-JQWIXIFHSA-N 2 0 241.335 -0.607 20 0 BBADRP CCCCCNC(=O)[C@@H](C)N(C)C[C@@H](O)C[NH3+] ZINC000336732777 385567198 /nfs/dbraw/zinc/56/71/98/385567198.db2.gz ZUKWNNWVDAFNKA-MNOVXSKESA-N 2 0 245.367 -0.067 20 0 BBADRP CCCCCNC(=O)[C@H](C)N(C)C[C@H](O)C[NH3+] ZINC000336732780 385567225 /nfs/dbraw/zinc/56/72/25/385567225.db2.gz ZUKWNNWVDAFNKA-WDEREUQCSA-N 2 0 245.367 -0.067 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)c1c[nH+]ccc1N ZINC000336738122 385827059 /nfs/dbraw/zinc/82/70/59/385827059.db2.gz KARLJJSBEYOFEC-SSDOTTSWSA-N 2 0 208.265 -0.181 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)c1c[nH+]ccc1N ZINC000336738123 385827161 /nfs/dbraw/zinc/82/71/61/385827161.db2.gz KARLJJSBEYOFEC-ZETCQYMHSA-N 2 0 208.265 -0.181 20 0 BBADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCOC2)CC1 ZINC000336746385 385936071 /nfs/dbraw/zinc/93/60/71/385936071.db2.gz BJEJTKWOIDCHBL-JTQLQIEISA-N 2 0 214.309 -0.178 20 0 BBADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCOC2)CC1 ZINC000336746390 385936965 /nfs/dbraw/zinc/93/69/65/385936965.db2.gz BJEJTKWOIDCHBL-SNVBAGLBSA-N 2 0 214.309 -0.178 20 0 BBADRP [NH3+]CCCOC1CCN(CC[NH3+])CC1 ZINC000336752519 181383053 /nfs/dbraw/zinc/38/30/53/181383053.db2.gz GYWUXAOMCOPQNK-UHFFFAOYSA-N 2 0 201.314 -0.225 20 0 BBADRP CNS(=O)(=O)CCCN1CCC[C@@H]1C[NH3+] ZINC000336756270 386561950 /nfs/dbraw/zinc/56/19/50/386561950.db2.gz YLEAOPWUVSLSTC-SECBINFHSA-N 2 0 235.353 -0.651 20 0 BBADRP CNC(=O)C[C@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000336764491 173282491 /nfs/dbraw/zinc/28/24/91/173282491.db2.gz NGHKLAXJNYRRPD-GXSJLCMTSA-N 2 0 229.324 -0.833 20 0 BBADRP CNC(=O)C[C@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000336764494 173282240 /nfs/dbraw/zinc/28/22/40/173282240.db2.gz NGHKLAXJNYRRPD-ONGXEEELSA-N 2 0 229.324 -0.833 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000336768640 176276575 /nfs/dbraw/zinc/27/65/75/176276575.db2.gz UUFJPZYEKWKOCI-GMTAPVOTSA-N 2 0 215.341 -0.551 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000336768641 176273695 /nfs/dbraw/zinc/27/36/95/176273695.db2.gz UUFJPZYEKWKOCI-MXWKQRLJSA-N 2 0 215.341 -0.551 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H](O)C[NH+](C)C ZINC000336768642 176277224 /nfs/dbraw/zinc/27/72/24/176277224.db2.gz UUFJPZYEKWKOCI-OUAUKWLOSA-N 2 0 215.341 -0.551 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000336768643 176273516 /nfs/dbraw/zinc/27/35/16/176273516.db2.gz UUFJPZYEKWKOCI-VWYCJHECSA-N 2 0 215.341 -0.551 20 0 BBADRP C[C@H](CC(N)=O)[NH2+]CCOCC[NH+](C)C ZINC000336772234 386078346 /nfs/dbraw/zinc/07/83/46/386078346.db2.gz XYEJVQQSZRHTDK-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP C[C@@H](CC(N)=O)[NH2+]CCOCC[NH+](C)C ZINC000336772235 175652632 /nfs/dbraw/zinc/65/26/32/175652632.db2.gz XYEJVQQSZRHTDK-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP COCCN1CC[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336775807 174313530 /nfs/dbraw/zinc/31/35/30/174313530.db2.gz CTFBZHVECPOIGY-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCCN1CC[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336775810 174316289 /nfs/dbraw/zinc/31/62/89/174316289.db2.gz CTFBZHVECPOIGY-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)CC(N)=O ZINC000336777565 174276368 /nfs/dbraw/zinc/27/63/68/174276368.db2.gz IVMOLWICRAFFLX-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP COCC[N@H+](C)CCC[NH2+][C@H](C)CC(N)=O ZINC000336777566 174275779 /nfs/dbraw/zinc/27/57/79/174275779.db2.gz IVMOLWICRAFFLX-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CN(CCC[NH+]1CCCC1)CC(=O)NC(N)=O ZINC000337279541 386699286 /nfs/dbraw/zinc/69/92/86/386699286.db2.gz UICPKYUEPZUBCQ-UHFFFAOYSA-N 2 0 242.323 -0.401 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000337381667 385623083 /nfs/dbraw/zinc/62/30/83/385623083.db2.gz CLIPGNSVISRJDS-GFCCVEGCSA-N 2 0 243.351 -0.489 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000337381669 385622712 /nfs/dbraw/zinc/62/27/12/385622712.db2.gz CLIPGNSVISRJDS-LBPRGKRZSA-N 2 0 243.351 -0.489 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337444685 169071586 /nfs/dbraw/zinc/07/15/86/169071586.db2.gz HUGLOGXTSONJNC-GFCCVEGCSA-N 2 0 245.367 -0.243 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337444686 169072607 /nfs/dbraw/zinc/07/26/07/169072607.db2.gz HUGLOGXTSONJNC-LBPRGKRZSA-N 2 0 245.367 -0.243 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000337798162 385791275 /nfs/dbraw/zinc/79/12/75/385791275.db2.gz GMDCDWHOYIPUMK-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000337798163 385791493 /nfs/dbraw/zinc/79/14/93/385791493.db2.gz GMDCDWHOYIPUMK-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CN1CCN(C(=O)CC[N@H+](C)CCO)CC1 ZINC000338253191 385928246 /nfs/dbraw/zinc/92/82/46/385928246.db2.gz RJWWQSVMCSNGSF-UHFFFAOYSA-N 2 0 229.324 -0.925 20 0 BBADRP c1cn(CCN2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000338385458 385983791 /nfs/dbraw/zinc/98/37/91/385983791.db2.gz UZUUSCAVBAEYRU-PHIMTYICSA-N 2 0 223.276 -0.017 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000339244794 174277225 /nfs/dbraw/zinc/27/72/25/174277225.db2.gz DQTXIQKIYMDSDG-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000339244795 174277145 /nfs/dbraw/zinc/27/71/45/174277145.db2.gz DQTXIQKIYMDSDG-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CO ZINC000339510552 386457879 /nfs/dbraw/zinc/45/78/79/386457879.db2.gz SSXZIWQEKCUYEH-UHFFFAOYSA-N 2 0 245.367 -0.289 20 0 BBADRP CN(Cc1nccn1C)C(=O)C[NH+](C)C ZINC000340007168 187330794 /nfs/dbraw/zinc/33/07/94/187330794.db2.gz WAZQGFZTAIAKOI-UHFFFAOYSA-N 2 0 210.281 -0.060 20 0 BBADRP CCN1CC[NH+](C[C@@H](C)CNC(N)=[NH2+])CC1 ZINC000340032489 350935281 /nfs/dbraw/zinc/93/52/81/350935281.db2.gz FHGAVAVVCYQFTC-JTQLQIEISA-N 2 0 227.356 -0.257 20 0 BBADRP CCN1CC[NH+](C[C@H](C)CNC(N)=[NH2+])CC1 ZINC000340032492 350935343 /nfs/dbraw/zinc/93/53/43/350935343.db2.gz FHGAVAVVCYQFTC-SNVBAGLBSA-N 2 0 227.356 -0.257 20 0 BBADRP NC(=[NH2+])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000340032940 181188951 /nfs/dbraw/zinc/18/89/51/181188951.db2.gz OSVSUYMDJXGWAL-MRVPVSSYSA-N 2 0 200.286 -0.684 20 0 BBADRP NC(=[NH2+])NC[C@H](O)C[NH+]1CCCCC1 ZINC000340032941 181190051 /nfs/dbraw/zinc/19/00/51/181190051.db2.gz OSVSUYMDJXGWAL-QMMMGPOBSA-N 2 0 200.286 -0.684 20 0 BBADRP O[C@H](CNC1=[NH+]CCCN1)C[NH+]1CCCCC1 ZINC000340034491 183223240 /nfs/dbraw/zinc/22/32/40/183223240.db2.gz YEBXHEQZWLGWNF-LLVKDONJSA-N 2 0 240.351 -0.228 20 0 BBADRP O[C@@H](CNC1=[NH+]CCCN1)C[NH+]1CCCCC1 ZINC000340034492 183178359 /nfs/dbraw/zinc/17/83/59/183178359.db2.gz YEBXHEQZWLGWNF-NSHDSACASA-N 2 0 240.351 -0.228 20 0 BBADRP COCC[N@H+](C)CCCNC1=[NH+]CCCN1 ZINC000340036728 174275416 /nfs/dbraw/zinc/27/54/16/174275416.db2.gz AUMVAOGNNAAIKB-UHFFFAOYSA-N 2 0 228.340 -0.106 20 0 BBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(N)=[NH2+] ZINC000340037937 172386735 /nfs/dbraw/zinc/38/67/35/172386735.db2.gz SNFMABSRAUTEBF-SECBINFHSA-N 2 0 241.339 -0.588 20 0 BBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(N)=[NH2+] ZINC000340037939 172384167 /nfs/dbraw/zinc/38/41/67/172384167.db2.gz SNFMABSRAUTEBF-VIFPVBQESA-N 2 0 241.339 -0.588 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000340134748 188205803 /nfs/dbraw/zinc/20/58/03/188205803.db2.gz WBIIZMVEXLUPDU-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000340134749 385740932 /nfs/dbraw/zinc/74/09/32/385740932.db2.gz WBIIZMVEXLUPDU-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP COCCC[NH+]1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000340176488 174228785 /nfs/dbraw/zinc/22/87/85/174228785.db2.gz FWQHQDOTFDLPIL-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP COCCC[NH+]1CCC(NC(=O)[C@@H](C)[NH3+])CC1 ZINC000340176489 174229363 /nfs/dbraw/zinc/22/93/63/174229363.db2.gz FWQHQDOTFDLPIL-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)C[C@H](C)[NH3+] ZINC000340181537 174275827 /nfs/dbraw/zinc/27/58/27/174275827.db2.gz ULZCWHFZZPUZGZ-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)C[C@@H](C)[NH3+] ZINC000340181538 174275050 /nfs/dbraw/zinc/27/50/50/174275050.db2.gz ULZCWHFZZPUZGZ-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000340183783 174216532 /nfs/dbraw/zinc/21/65/32/174216532.db2.gz DMARMQJOOJZYMW-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000340183784 174216417 /nfs/dbraw/zinc/21/64/17/174216417.db2.gz DMARMQJOOJZYMW-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000340185190 385828897 /nfs/dbraw/zinc/82/88/97/385828897.db2.gz IPZRPXNADBVRDH-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP C[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000340185191 385827975 /nfs/dbraw/zinc/82/79/75/385827975.db2.gz IPZRPXNADBVRDH-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NCCCC[NH+]1CCOCC1 ZINC000340185672 385831572 /nfs/dbraw/zinc/83/15/72/385831572.db2.gz ORQXZKQKYHLOIW-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCCCC[NH+]1CCOCC1 ZINC000340185678 385832727 /nfs/dbraw/zinc/83/27/27/385832727.db2.gz ORQXZKQKYHLOIW-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@@H]([NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000340187662 385840473 /nfs/dbraw/zinc/84/04/73/385840473.db2.gz ZNUDJMQVXQPSBZ-LLVKDONJSA-N 2 0 242.367 -0.571 20 0 BBADRP C[C@H]([NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000340187692 385840993 /nfs/dbraw/zinc/84/09/93/385840993.db2.gz ZNUDJMQVXQPSBZ-NSHDSACASA-N 2 0 242.367 -0.571 20 0 BBADRP C[NH+](C)CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000340659804 386533881 /nfs/dbraw/zinc/53/38/81/386533881.db2.gz FIZMKKHWAOQWSH-UHFFFAOYSA-N 2 0 242.367 -0.746 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+](C)C ZINC000340954281 176275702 /nfs/dbraw/zinc/27/57/02/176275702.db2.gz RABOBBYNYXTQSY-NXEZZACHSA-N 2 0 213.325 -0.138 20 0 BBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+](C)C ZINC000340954299 177234968 /nfs/dbraw/zinc/23/49/68/177234968.db2.gz RABOBBYNYXTQSY-UWVGGRQHSA-N 2 0 213.325 -0.138 20 0 BBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+](C)C ZINC000340954301 177237848 /nfs/dbraw/zinc/23/78/48/177237848.db2.gz RABOBBYNYXTQSY-VHSXEESVSA-N 2 0 213.325 -0.138 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+](C)C ZINC000340954303 176272637 /nfs/dbraw/zinc/27/26/37/176272637.db2.gz RABOBBYNYXTQSY-ZJUUUORDSA-N 2 0 213.325 -0.138 20 0 BBADRP C[C@H](CNC(=O)C[NH+](C)C)C[NH+](C)C ZINC000341232130 386857177 /nfs/dbraw/zinc/85/71/77/386857177.db2.gz WFZWINFIBLVGGF-SECBINFHSA-N 2 0 201.314 -0.138 20 0 BBADRP C[C@@H](CNC(=O)C[NH+](C)C)C[NH+](C)C ZINC000341232141 386857015 /nfs/dbraw/zinc/85/70/15/386857015.db2.gz WFZWINFIBLVGGF-VIFPVBQESA-N 2 0 201.314 -0.138 20 0 BBADRP C[NH+]1CCN(c2cc(CNC(N)=[NH2+])ccn2)CC1 ZINC000341624766 132226709 /nfs/dbraw/zinc/22/67/09/132226709.db2.gz XIIFKIVSSQFHNH-UHFFFAOYSA-N 2 0 248.334 -0.184 20 0 BBADRP C[C@@H](CC(N)=O)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000341898003 386994354 /nfs/dbraw/zinc/99/43/54/386994354.db2.gz MMPYRMPGKCSDQZ-JTQLQIEISA-N 2 0 243.351 -0.456 20 0 BBADRP C[C@H](CC(N)=O)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000341898005 386994674 /nfs/dbraw/zinc/99/46/74/386994674.db2.gz MMPYRMPGKCSDQZ-SNVBAGLBSA-N 2 0 243.351 -0.456 20 0 BBADRP C[C@@H](CO)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)CO ZINC000342076979 385921955 /nfs/dbraw/zinc/92/19/55/385921955.db2.gz DDXDLJGNZQVPGG-RYUDHWBXSA-N 2 0 248.367 -0.372 20 0 BBADRP C[C@H](CO)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)CO ZINC000342076983 385922429 /nfs/dbraw/zinc/92/24/29/385922429.db2.gz DDXDLJGNZQVPGG-TXEJJXNPSA-N 2 0 248.367 -0.372 20 0 BBADRP C[C@H](CO)[NH+](C)CCOCC[N@@H+](C)[C@H](C)CO ZINC000342076985 385921621 /nfs/dbraw/zinc/92/16/21/385921621.db2.gz DDXDLJGNZQVPGG-VXGBXAGGSA-N 2 0 248.367 -0.372 20 0 BBADRP [NH3+]C1(C[NH2+]CCN2CCOCC2)CCC1 ZINC000342120393 181332778 /nfs/dbraw/zinc/33/27/78/181332778.db2.gz IAQUJGQMLGWXBB-UHFFFAOYSA-N 2 0 213.325 -0.210 20 0 BBADRP CN(C)S(=O)(=O)CCC[NH2+]CC1([NH3+])CCC1 ZINC000342137189 398189208 /nfs/dbraw/zinc/18/92/08/398189208.db2.gz ICNUWAXQTIEUCL-UHFFFAOYSA-N 2 0 249.380 -0.261 20 0 BBADRP [NH3+]C1(C[NH2+]CCN2C(=O)CCC2=O)CCC1 ZINC000342142423 181332355 /nfs/dbraw/zinc/33/23/55/181332355.db2.gz QBUBKXZIFWGCJR-UHFFFAOYSA-N 2 0 225.292 -0.394 20 0 BBADRP CNC(=O)NC(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000342150175 173286028 /nfs/dbraw/zinc/28/60/28/173286028.db2.gz XEBKUSBHFLZYEO-UHFFFAOYSA-N 2 0 228.296 -0.697 20 0 BBADRP [NH3+]CCCOC1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000342242229 181383622 /nfs/dbraw/zinc/38/36/22/181383622.db2.gz YFHJSRFYTWMBLC-UHFFFAOYSA-N 2 0 241.335 -0.438 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000342650556 135307174 /nfs/dbraw/zinc/30/71/74/135307174.db2.gz LNZFVRRVPDTXAT-SECBINFHSA-N 2 0 245.323 -0.665 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000342650561 135307460 /nfs/dbraw/zinc/30/74/60/135307460.db2.gz LNZFVRRVPDTXAT-VIFPVBQESA-N 2 0 245.323 -0.665 20 0 BBADRP C[NH+](C)CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000342662174 535882803 /nfs/dbraw/zinc/88/28/03/535882803.db2.gz IDLBEZQNYYQESI-UHFFFAOYSA-N 2 0 228.340 -0.059 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000342665339 535884639 /nfs/dbraw/zinc/88/46/39/535884639.db2.gz MHAWQPINCCJSPV-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000342665340 535884959 /nfs/dbraw/zinc/88/49/59/535884959.db2.gz MHAWQPINCCJSPV-SNVBAGLBSA-N 2 0 228.340 -0.059 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000342707594 135313169 /nfs/dbraw/zinc/31/31/69/135313169.db2.gz NBJUXRAUTMTMMU-BDAKNGLRSA-N 2 0 245.323 -0.667 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000342707604 536459316 /nfs/dbraw/zinc/45/93/16/536459316.db2.gz NBJUXRAUTMTMMU-DTWKUNHWSA-N 2 0 245.323 -0.667 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000342707605 135312857 /nfs/dbraw/zinc/31/28/57/135312857.db2.gz NBJUXRAUTMTMMU-IUCAKERBSA-N 2 0 245.323 -0.667 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000342707607 536459788 /nfs/dbraw/zinc/45/97/88/536459788.db2.gz NBJUXRAUTMTMMU-RKDXNWHRSA-N 2 0 245.323 -0.667 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000342712451 135313576 /nfs/dbraw/zinc/31/35/76/135313576.db2.gz SDHLVIQFHUYQJI-SECBINFHSA-N 2 0 245.323 -0.665 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000342712452 135313544 /nfs/dbraw/zinc/31/35/44/135313544.db2.gz SDHLVIQFHUYQJI-VIFPVBQESA-N 2 0 245.323 -0.665 20 0 BBADRP C[C@@]1(CNC(=O)COC2C[NH2+]C2)CCC[NH2+]C1 ZINC000342734555 135316437 /nfs/dbraw/zinc/31/64/37/135316437.db2.gz LURRDZHMEVWTCP-GFCCVEGCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(CNC(=O)COC2C[NH2+]C2)CCC[NH2+]C1 ZINC000342734558 135316974 /nfs/dbraw/zinc/31/69/74/135316974.db2.gz LURRDZHMEVWTCP-LBPRGKRZSA-N 2 0 241.335 -0.519 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1NCCO[C@H]1C ZINC000343588994 353940830 /nfs/dbraw/zinc/94/08/30/353940830.db2.gz KSKKAHINSMADOM-AEJSXWLSSA-N 2 0 229.324 -0.537 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1NCCO[C@@H]1C ZINC000343588998 353940946 /nfs/dbraw/zinc/94/09/46/353940946.db2.gz KSKKAHINSMADOM-BBBLOLIVSA-N 2 0 229.324 -0.537 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1NCCO[C@H]1C ZINC000343589002 353941107 /nfs/dbraw/zinc/94/11/07/353941107.db2.gz KSKKAHINSMADOM-IVZWLZJFSA-N 2 0 229.324 -0.537 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1NCCO[C@@H]1C ZINC000343589003 353941088 /nfs/dbraw/zinc/94/10/88/353941088.db2.gz KSKKAHINSMADOM-OPRDCNLKSA-N 2 0 229.324 -0.537 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1NCCO[C@H]1C ZINC000343589517 353940858 /nfs/dbraw/zinc/94/08/58/353940858.db2.gz MBFKXDRCWXRZBB-AXFHLTTASA-N 2 0 243.351 -0.003 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1NCCO[C@@H]1C ZINC000343589520 353941164 /nfs/dbraw/zinc/94/11/64/353941164.db2.gz MBFKXDRCWXRZBB-GMTAPVOTSA-N 2 0 243.351 -0.003 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1NCCO[C@H]1C ZINC000343589521 353941212 /nfs/dbraw/zinc/94/12/12/353941212.db2.gz MBFKXDRCWXRZBB-HBNTYKKESA-N 2 0 243.351 -0.003 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1NCCO[C@@H]1C ZINC000343589523 353941079 /nfs/dbraw/zinc/94/10/79/353941079.db2.gz MBFKXDRCWXRZBB-MXWKQRLJSA-N 2 0 243.351 -0.003 20 0 BBADRP COC1(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]CC1 ZINC000343608632 353932302 /nfs/dbraw/zinc/93/23/02/353932302.db2.gz WDMMRWBKOJHZQE-NXEZZACHSA-N 2 0 241.335 -0.297 20 0 BBADRP COC1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[NH2+]CC1 ZINC000343608633 353932226 /nfs/dbraw/zinc/93/22/26/353932226.db2.gz WDMMRWBKOJHZQE-UWVGGRQHSA-N 2 0 241.335 -0.297 20 0 BBADRP COC1(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CC[NH2+]CC1 ZINC000343608634 536524482 /nfs/dbraw/zinc/52/44/82/536524482.db2.gz WDMMRWBKOJHZQE-VHSXEESVSA-N 2 0 241.335 -0.297 20 0 BBADRP COC1(C(=O)N2CC[C@H]([NH3+])[C@H]2C)CC[NH2+]CC1 ZINC000343608635 536524458 /nfs/dbraw/zinc/52/44/58/536524458.db2.gz WDMMRWBKOJHZQE-ZJUUUORDSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000343614234 353933775 /nfs/dbraw/zinc/93/37/75/353933775.db2.gz ZIBNUSYVMUVBJW-GMTAPVOTSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000343614235 353933615 /nfs/dbraw/zinc/93/36/15/353933615.db2.gz ZIBNUSYVMUVBJW-MXWKQRLJSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000343614236 353933569 /nfs/dbraw/zinc/93/35/69/353933569.db2.gz ZIBNUSYVMUVBJW-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000343614237 353933821 /nfs/dbraw/zinc/93/38/21/353933821.db2.gz ZIBNUSYVMUVBJW-VWYCJHECSA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H]1NCCO[C@@H]1C ZINC000343636048 173348600 /nfs/dbraw/zinc/34/86/00/173348600.db2.gz AIWRWPDYSSNIRO-BDAKNGLRSA-N 2 0 215.297 -0.911 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000343641533 133700918 /nfs/dbraw/zinc/70/09/18/133700918.db2.gz NKDBRQLEPUAMAO-BFLSOPEQSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000343641535 133700624 /nfs/dbraw/zinc/70/06/24/133700624.db2.gz NKDBRQLEPUAMAO-DNRKLUKYSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000343641536 133700908 /nfs/dbraw/zinc/70/09/08/133700908.db2.gz NKDBRQLEPUAMAO-DTHBNOIPSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000343641538 133700542 /nfs/dbraw/zinc/70/05/42/133700542.db2.gz NKDBRQLEPUAMAO-KLBPJQLPSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000343643242 353952052 /nfs/dbraw/zinc/95/20/52/353952052.db2.gz PVBFIFWAEHRWGQ-BBBLOLIVSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000343643244 353952032 /nfs/dbraw/zinc/95/20/32/353952032.db2.gz PVBFIFWAEHRWGQ-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000343643246 353952013 /nfs/dbraw/zinc/95/20/13/353952013.db2.gz PVBFIFWAEHRWGQ-OPRDCNLKSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000343643248 353951858 /nfs/dbraw/zinc/95/18/58/353951858.db2.gz PVBFIFWAEHRWGQ-UTLUCORTSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCOC1C[NH2+]C1 ZINC000343692254 353964928 /nfs/dbraw/zinc/96/49/28/353964928.db2.gz ULHYSCXSTXGWMB-PSASIEDQSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCOC1C[NH2+]C1 ZINC000343692256 353965319 /nfs/dbraw/zinc/96/53/19/353965319.db2.gz ULHYSCXSTXGWMB-SCZZXKLOSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)CCOC1C[NH2+]C1 ZINC000343692257 353965283 /nfs/dbraw/zinc/96/52/83/353965283.db2.gz ULHYSCXSTXGWMB-WCBMZHEXSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCOC1C[NH2+]C1 ZINC000343692260 353964910 /nfs/dbraw/zinc/96/49/10/353964910.db2.gz ULHYSCXSTXGWMB-WPRPVWTQSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000343693733 353965939 /nfs/dbraw/zinc/96/59/39/353965939.db2.gz NEINOUJPXGHFRA-AGIUHOORSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000343693735 353965913 /nfs/dbraw/zinc/96/59/13/353965913.db2.gz NEINOUJPXGHFRA-FRRDWIJNSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000343693736 353965931 /nfs/dbraw/zinc/96/59/31/353965931.db2.gz NEINOUJPXGHFRA-JHJVBQTASA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000343693737 353965702 /nfs/dbraw/zinc/96/57/02/353965702.db2.gz NEINOUJPXGHFRA-UPJWGTAASA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1C[N@H+](CCO)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343930171 354044763 /nfs/dbraw/zinc/04/47/63/354044763.db2.gz YVSXGMHWGAVRDC-CHWSQXEVSA-N 2 0 241.379 -0.064 20 0 BBADRP C[C@@H]1C[N@H+](CCO)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343930172 354045810 /nfs/dbraw/zinc/04/58/10/354045810.db2.gz YVSXGMHWGAVRDC-OLZOCXBDSA-N 2 0 241.379 -0.064 20 0 BBADRP C[C@H]1C[N@H+](CCO)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343930173 354045914 /nfs/dbraw/zinc/04/59/14/354045914.db2.gz YVSXGMHWGAVRDC-QWHCGFSZSA-N 2 0 241.379 -0.064 20 0 BBADRP C[C@H]1C[N@H+](CCO)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343930174 354046048 /nfs/dbraw/zinc/04/60/48/354046048.db2.gz YVSXGMHWGAVRDC-STQMWFEESA-N 2 0 241.379 -0.064 20 0 BBADRP CN(CCC[N@H+](C)CC(N)=O)CC[NH+](C)C ZINC000344032450 354095677 /nfs/dbraw/zinc/09/56/77/354095677.db2.gz QAGAYMUUACBVFN-UHFFFAOYSA-N 2 0 230.356 -0.713 20 0 BBADRP CN(CCC[N@H+](C)CCO)CC[NH+](C)C ZINC000344033876 354097321 /nfs/dbraw/zinc/09/73/21/354097321.db2.gz QYXYSFZYLQWLJZ-UHFFFAOYSA-N 2 0 217.357 -0.206 20 0 BBADRP C[C@H](C(N)=O)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344048856 354122295 /nfs/dbraw/zinc/12/22/95/354122295.db2.gz ZFDJTVLOVWYKCF-LLVKDONJSA-N 2 0 244.383 -0.325 20 0 BBADRP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344048876 354122111 /nfs/dbraw/zinc/12/21/11/354122111.db2.gz ZFDJTVLOVWYKCF-NSHDSACASA-N 2 0 244.383 -0.325 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000344130913 354148962 /nfs/dbraw/zinc/14/89/62/354148962.db2.gz ILHXUGQDRHNWHU-NEPJUHHUSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000344130915 354149025 /nfs/dbraw/zinc/14/90/25/354149025.db2.gz ILHXUGQDRHNWHU-NWDGAFQWSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+](C)C)C1 ZINC000344130916 354148325 /nfs/dbraw/zinc/14/83/25/354148325.db2.gz ILHXUGQDRHNWHU-RYUDHWBXSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC[C@@H](O)C[NH+](C)C)C1 ZINC000344130918 354148800 /nfs/dbraw/zinc/14/88/00/354148800.db2.gz ILHXUGQDRHNWHU-VXGBXAGGSA-N 2 0 245.367 -0.781 20 0 BBADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CN(C)CCN1C ZINC000344478255 354268953 /nfs/dbraw/zinc/26/89/53/354268953.db2.gz ZFOWOEMCWBXSNV-AGIUHOORSA-N 2 0 240.395 -0.228 20 0 BBADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CN(C)CCN1C ZINC000344478257 354268772 /nfs/dbraw/zinc/26/87/72/354268772.db2.gz ZFOWOEMCWBXSNV-FRRDWIJNSA-N 2 0 240.395 -0.228 20 0 BBADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CN(C)CCN1C ZINC000344478258 354268974 /nfs/dbraw/zinc/26/89/74/354268974.db2.gz ZFOWOEMCWBXSNV-JHJVBQTASA-N 2 0 240.395 -0.228 20 0 BBADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CN(C)CCN1C ZINC000344478261 354268735 /nfs/dbraw/zinc/26/87/35/354268735.db2.gz ZFOWOEMCWBXSNV-UPJWGTAASA-N 2 0 240.395 -0.228 20 0 BBADRP CC1CC[NH+](C[C@H](O)CNC(N)=[NH2+])CC1 ZINC000344530596 354281155 /nfs/dbraw/zinc/28/11/55/354281155.db2.gz KFPOYKGCERLLDR-SECBINFHSA-N 2 0 214.313 -0.438 20 0 BBADRP CC1CC[NH+](C[C@@H](O)CNC(N)=[NH2+])CC1 ZINC000344530598 354280736 /nfs/dbraw/zinc/28/07/36/354280736.db2.gz KFPOYKGCERLLDR-VIFPVBQESA-N 2 0 214.313 -0.438 20 0 BBADRP Cn1nccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344556973 388507955 /nfs/dbraw/zinc/50/79/55/388507955.db2.gz TZSAJGVVQGORNQ-UHFFFAOYSA-N 2 0 238.335 -0.034 20 0 BBADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558820 354295888 /nfs/dbraw/zinc/29/58/88/354295888.db2.gz YZUCGNBBLQSWQR-NEPJUHHUSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@H]1CN(C)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558821 354295814 /nfs/dbraw/zinc/29/58/14/354295814.db2.gz YZUCGNBBLQSWQR-NWDGAFQWSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558823 354296003 /nfs/dbraw/zinc/29/60/03/354296003.db2.gz YZUCGNBBLQSWQR-RYUDHWBXSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344558825 354295802 /nfs/dbraw/zinc/29/58/02/354295802.db2.gz YZUCGNBBLQSWQR-VXGBXAGGSA-N 2 0 241.379 -0.017 20 0 BBADRP CN(CCCNC1=[NH+]CCCN1)CC[NH+](C)C ZINC000345202955 386057456 /nfs/dbraw/zinc/05/74/56/386057456.db2.gz RJIUHFMVCKMDFU-UHFFFAOYSA-N 2 0 241.383 -0.191 20 0 BBADRP CN(CCCNC(N)=[NH2+])CC[NH+](C)C ZINC000345209120 386060783 /nfs/dbraw/zinc/06/07/83/386060783.db2.gz WZCJJEYBBKNFEM-UHFFFAOYSA-N 2 0 201.318 -0.647 20 0 BBADRP C[C@@H]1CN(C)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000345331882 354641682 /nfs/dbraw/zinc/64/16/82/354641682.db2.gz VOCPCZNYHFFART-GHMZBOCLSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000345331884 354641592 /nfs/dbraw/zinc/64/15/92/354641592.db2.gz VOCPCZNYHFFART-MNOVXSKESA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H]1CN(C)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC000345331885 354641932 /nfs/dbraw/zinc/64/19/32/354641932.db2.gz VOCPCZNYHFFART-QWRGUYRKSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H]1CN(C)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC000345331886 354641962 /nfs/dbraw/zinc/64/19/62/354641962.db2.gz VOCPCZNYHFFART-WDEREUQCSA-N 2 0 241.335 -0.521 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[NH+](C)C ZINC000345972386 354824248 /nfs/dbraw/zinc/82/42/48/354824248.db2.gz YQWBBEOSFDHFTK-UHFFFAOYSA-N 2 0 217.313 -0.758 20 0 BBADRP COC(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346819494 355123619 /nfs/dbraw/zinc/12/36/19/355123619.db2.gz HEHPZKZHRTWTHK-LLVKDONJSA-N 2 0 242.319 -0.140 20 0 BBADRP COC(=O)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346819496 355123796 /nfs/dbraw/zinc/12/37/96/355123796.db2.gz HEHPZKZHRTWTHK-NSHDSACASA-N 2 0 242.319 -0.140 20 0 BBADRP COCC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)C(N)=O ZINC000346820701 355125136 /nfs/dbraw/zinc/12/51/36/355125136.db2.gz DDJKNVWMYGKMTR-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@H+](CC1CC[NH2+]CC1)[C@H](C)C(N)=O ZINC000346820702 355125113 /nfs/dbraw/zinc/12/51/13/355125113.db2.gz DDJKNVWMYGKMTR-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000346852472 355139186 /nfs/dbraw/zinc/13/91/86/355139186.db2.gz RQZIGUJRZYDJMZ-QWRGUYRKSA-N 2 0 242.319 -0.406 20 0 BBADRP CNC(=O)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346972449 355208549 /nfs/dbraw/zinc/20/85/49/355208549.db2.gz HKQLQMZIVUTYHB-LLVKDONJSA-N 2 0 241.335 -0.567 20 0 BBADRP CNC(=O)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346972452 355208270 /nfs/dbraw/zinc/20/82/70/355208270.db2.gz HKQLQMZIVUTYHB-NSHDSACASA-N 2 0 241.335 -0.567 20 0 BBADRP NC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346977456 355211669 /nfs/dbraw/zinc/21/16/69/355211669.db2.gz KQMLIUHYQNLVFB-NXEZZACHSA-N 2 0 226.324 -0.271 20 0 BBADRP NC(=O)N[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346977460 355211541 /nfs/dbraw/zinc/21/15/41/355211541.db2.gz KQMLIUHYQNLVFB-UWVGGRQHSA-N 2 0 226.324 -0.271 20 0 BBADRP NC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346977462 355211623 /nfs/dbraw/zinc/21/16/23/355211623.db2.gz KQMLIUHYQNLVFB-VHSXEESVSA-N 2 0 226.324 -0.271 20 0 BBADRP NC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346977467 355211574 /nfs/dbraw/zinc/21/15/74/355211574.db2.gz KQMLIUHYQNLVFB-ZJUUUORDSA-N 2 0 226.324 -0.271 20 0 BBADRP NC(=O)N[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346988499 355189315 /nfs/dbraw/zinc/18/93/15/355189315.db2.gz RICWVDYICJWIJA-JTQLQIEISA-N 2 0 226.324 -0.271 20 0 BBADRP NC(=O)N[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346988502 135987631 /nfs/dbraw/zinc/98/76/31/135987631.db2.gz RICWVDYICJWIJA-SNVBAGLBSA-N 2 0 226.324 -0.271 20 0 BBADRP CC[NH+](CC)CCOCCNC(N)=[NH2+] ZINC000347399539 386385308 /nfs/dbraw/zinc/38/53/08/386385308.db2.gz LDFVRVGQQUEZQK-UHFFFAOYSA-N 2 0 202.302 -0.172 20 0 BBADRP CC[NH+]1CCN(CCC(=O)N[C@H](C)C[NH3+])CC1 ZINC000347649712 535682910 /nfs/dbraw/zinc/68/29/10/535682910.db2.gz PRXREZWXNWOQEW-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN(CCC(=O)N[C@@H](C)C[NH3+])CC1 ZINC000347649714 535681069 /nfs/dbraw/zinc/68/10/69/535681069.db2.gz PRXREZWXNWOQEW-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[NH3+])CC1 ZINC000347651945 535661552 /nfs/dbraw/zinc/66/15/52/535661552.db2.gz BBKQRHFIQOJINF-JTQLQIEISA-N 2 0 228.340 -0.913 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)C[NH3+])CC1 ZINC000347651957 136000927 /nfs/dbraw/zinc/00/09/27/136000927.db2.gz BBKQRHFIQOJINF-SNVBAGLBSA-N 2 0 228.340 -0.913 20 0 BBADRP C[N@@H+]1CCCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000347655161 136001896 /nfs/dbraw/zinc/00/18/96/136001896.db2.gz OQJHTMNBHULKJJ-UHFFFAOYSA-N 2 0 241.335 -0.471 20 0 BBADRP CN(C(=O)COC1C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000347675864 135997871 /nfs/dbraw/zinc/99/78/71/135997871.db2.gz SUVOOLVTQAMIOV-UHFFFAOYSA-N 2 0 241.335 -0.473 20 0 BBADRP CN(C)C(=O)CN(C)CCc1cncn1C ZINC000347745709 136010847 /nfs/dbraw/zinc/01/08/47/136010847.db2.gz WLZMKIUIKNMHKD-UHFFFAOYSA-N 2 0 224.308 -0.017 20 0 BBADRP C[NH+](C)CCCCNC(=O)CCOC1C[NH2+]C1 ZINC000348986148 355335697 /nfs/dbraw/zinc/33/56/97/355335697.db2.gz BIJBQVZBPWTIRA-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH+](CC)CCNC(=O)CCOC1C[NH2+]C1 ZINC000348987134 355336895 /nfs/dbraw/zinc/33/68/95/355336895.db2.gz DUSIOQUSQUAERH-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCCNC(=O)CCOC1C[NH2+]C1 ZINC000348987347 355336597 /nfs/dbraw/zinc/33/65/97/355336597.db2.gz FTLKIVRNMKFFNT-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348988627 355336973 /nfs/dbraw/zinc/33/69/73/355336973.db2.gz BNTRWRJYEFICMQ-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348988628 355336791 /nfs/dbraw/zinc/33/67/91/355336791.db2.gz BNTRWRJYEFICMQ-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H](CNC(=O)CCOC1C[NH2+]C1)[NH+](C)C ZINC000348992936 136314175 /nfs/dbraw/zinc/31/41/75/136314175.db2.gz PQHUCTYAVZWYQV-SECBINFHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)[NH+](C)C ZINC000348992941 136314428 /nfs/dbraw/zinc/31/44/28/136314428.db2.gz PQHUCTYAVZWYQV-VIFPVBQESA-N 2 0 229.324 -0.569 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000348994295 136314231 /nfs/dbraw/zinc/31/42/31/136314231.db2.gz SLIHGUNEWQJJDA-UHFFFAOYSA-N 2 0 243.351 -0.179 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349000443 136315187 /nfs/dbraw/zinc/31/51/87/136315187.db2.gz NHNQBTDADSCHRA-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000349000444 136314902 /nfs/dbraw/zinc/31/49/02/136314902.db2.gz NHNQBTDADSCHRA-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@H]1CN(C)CCN1C(=O)CCOC1C[NH2+]C1 ZINC000349002963 136315480 /nfs/dbraw/zinc/31/54/80/136315480.db2.gz PYMFNDSYCDGMMJ-JTQLQIEISA-N 2 0 241.335 -0.473 20 0 BBADRP C[C@@H]1CN(C)CCN1C(=O)CCOC1C[NH2+]C1 ZINC000349002964 136315399 /nfs/dbraw/zinc/31/53/99/136315399.db2.gz PYMFNDSYCDGMMJ-SNVBAGLBSA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+]1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349003501 536341288 /nfs/dbraw/zinc/34/12/88/536341288.db2.gz QTHRELGBMGDDED-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)CCOC1C[NH2+]C1 ZINC000349008953 536109053 /nfs/dbraw/zinc/10/90/53/536109053.db2.gz WWWLBVPSYABANR-UHFFFAOYSA-N 2 0 243.351 -0.179 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000349024391 136317626 /nfs/dbraw/zinc/31/76/26/136317626.db2.gz DUXDKHCAGJPNSH-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000349025568 136318122 /nfs/dbraw/zinc/31/81/22/136318122.db2.gz HWVAVXPKXMUXSI-GFCCVEGCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000349025569 136318194 /nfs/dbraw/zinc/31/81/94/136318194.db2.gz HWVAVXPKXMUXSI-LBPRGKRZSA-N 2 0 243.351 -0.146 20 0 BBADRP C[N@H+](CCNC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000349027082 136318564 /nfs/dbraw/zinc/31/85/64/136318564.db2.gz LDHSBFRFSKQFAH-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000349027122 136318854 /nfs/dbraw/zinc/31/88/54/136318854.db2.gz LPFMFBHUEXYJIV-JTQLQIEISA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000349027123 136318513 /nfs/dbraw/zinc/31/85/13/136318513.db2.gz LPFMFBHUEXYJIV-SNVBAGLBSA-N 2 0 243.351 -0.146 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NCC[NH+]1CCCC1 ZINC000349031272 136319870 /nfs/dbraw/zinc/31/98/70/136319870.db2.gz UVYURIVUAJREKA-UHFFFAOYSA-N 2 0 241.335 -0.423 20 0 BBADRP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000349031274 136319969 /nfs/dbraw/zinc/31/99/69/136319969.db2.gz UWLIEDYCRRJPSC-AOOOYVTPSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000349031275 136319947 /nfs/dbraw/zinc/31/99/47/136319947.db2.gz UWLIEDYCRRJPSC-NXEZZACHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000349031276 136320119 /nfs/dbraw/zinc/32/01/19/136320119.db2.gz UWLIEDYCRRJPSC-UWVGGRQHSA-N 2 0 241.335 -0.426 20 0 BBADRP [NH3+]CC1(NC(=O)CCOC2C[NH2+]C2)CCCC1 ZINC000349031833 136319745 /nfs/dbraw/zinc/31/97/45/136319745.db2.gz WGDFCBSNECAMJT-UHFFFAOYSA-N 2 0 241.335 -0.247 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000349047418 535353300 /nfs/dbraw/zinc/35/33/00/535353300.db2.gz GOIAFRUPOIBUPQ-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000349047419 136320968 /nfs/dbraw/zinc/32/09/68/136320968.db2.gz GOIAFRUPOIBUPQ-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)CCOC1C[NH2+]C1 ZINC000349051394 136321134 /nfs/dbraw/zinc/32/11/34/136321134.db2.gz KIBYJPHOCPRSRT-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)CCOC1C[NH2+]C1 ZINC000349055893 136321612 /nfs/dbraw/zinc/32/16/12/136321612.db2.gz PMFSDECOFVXHBF-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)CCOC1C[NH2+]C1 ZINC000349055894 136321393 /nfs/dbraw/zinc/32/13/93/136321393.db2.gz PMFSDECOFVXHBF-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)CCOC1C[NH2+]C1 ZINC000349057866 136321430 /nfs/dbraw/zinc/32/14/30/136321430.db2.gz RYKJEDVFCCOIRY-UHFFFAOYSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[N@H+](C)CCNC(=O)CCOC1C[NH2+]C1 ZINC000349063637 355338990 /nfs/dbraw/zinc/33/89/90/355338990.db2.gz YVGXCGLIKFRLBC-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCOC ZINC000349211409 136331957 /nfs/dbraw/zinc/33/19/57/136331957.db2.gz XQNQECCYSULBCN-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000349968794 355548687 /nfs/dbraw/zinc/54/86/87/355548687.db2.gz VUHXDFGNXXVWHG-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000349968795 535661823 /nfs/dbraw/zinc/66/18/23/535661823.db2.gz VUHXDFGNXXVWHG-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CC[N@H+](CCCO)CCC(=O)N1CC[NH2+]CC1 ZINC000351607510 136369697 /nfs/dbraw/zinc/36/96/97/136369697.db2.gz KUSRMUFAOALNEF-UHFFFAOYSA-N 2 0 243.351 -0.487 20 0 BBADRP C[C@@H](O)CC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000351622432 356032196 /nfs/dbraw/zinc/03/21/96/356032196.db2.gz JIVZCBVBYKAGHV-LLVKDONJSA-N 2 0 243.351 -0.489 20 0 BBADRP C[C@H](O)CC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000351622434 356031880 /nfs/dbraw/zinc/03/18/80/356031880.db2.gz JIVZCBVBYKAGHV-NSHDSACASA-N 2 0 243.351 -0.489 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351847708 136257041 /nfs/dbraw/zinc/25/70/41/136257041.db2.gz AWBLDPKBGYAULL-NXEZZACHSA-N 2 0 249.380 -0.405 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351847709 136257093 /nfs/dbraw/zinc/25/70/93/136257093.db2.gz AWBLDPKBGYAULL-UWVGGRQHSA-N 2 0 249.380 -0.405 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351847710 136257175 /nfs/dbraw/zinc/25/71/75/136257175.db2.gz AWBLDPKBGYAULL-VHSXEESVSA-N 2 0 249.380 -0.405 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351847711 136257255 /nfs/dbraw/zinc/25/72/55/136257255.db2.gz AWBLDPKBGYAULL-ZJUUUORDSA-N 2 0 249.380 -0.405 20 0 BBADRP CN(C[C@H](O)C[N@H+](C)C1CC1)C1(CO)CC1 ZINC000352115237 134071139 /nfs/dbraw/zinc/07/11/39/134071139.db2.gz JCKGRDZGFJFNPI-LLVKDONJSA-N 2 0 228.336 -0.102 20 0 BBADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)C1(CO)CC1 ZINC000352115238 134071066 /nfs/dbraw/zinc/07/10/66/134071066.db2.gz JCKGRDZGFJFNPI-NSHDSACASA-N 2 0 228.336 -0.102 20 0 BBADRP C[NH+](C)CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000352400407 387148052 /nfs/dbraw/zinc/14/80/52/387148052.db2.gz OZVJCSLUADHIQL-UHFFFAOYSA-N 2 0 243.351 -0.489 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000353160471 387148923 /nfs/dbraw/zinc/14/89/23/387148923.db2.gz DPSSHSKBRLHNTO-GHMZBOCLSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000353160474 387148536 /nfs/dbraw/zinc/14/85/36/387148536.db2.gz DPSSHSKBRLHNTO-MNOVXSKESA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000353160475 387148410 /nfs/dbraw/zinc/14/84/10/387148410.db2.gz DPSSHSKBRLHNTO-QWRGUYRKSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000353160476 387147840 /nfs/dbraw/zinc/14/78/40/387147840.db2.gz DPSSHSKBRLHNTO-WDEREUQCSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C)C[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000353215658 387158469 /nfs/dbraw/zinc/15/84/69/387158469.db2.gz CHFXYJMXNNXNPK-LLVKDONJSA-N 2 0 243.351 -0.273 20 0 BBADRP CO[C@@H](C)C[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000353215660 387158100 /nfs/dbraw/zinc/15/81/00/387158100.db2.gz CHFXYJMXNNXNPK-NSHDSACASA-N 2 0 243.351 -0.273 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353381518 387192751 /nfs/dbraw/zinc/19/27/51/387192751.db2.gz FOPOGNNFKYBDOX-AXFHLTTASA-N 2 0 239.319 -0.957 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353381541 387192830 /nfs/dbraw/zinc/19/28/30/387192830.db2.gz FOPOGNNFKYBDOX-DCAQKATOSA-N 2 0 239.319 -0.957 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353381542 386519055 /nfs/dbraw/zinc/51/90/55/386519055.db2.gz FOPOGNNFKYBDOX-MXWKQRLJSA-N 2 0 239.319 -0.957 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353381543 182624645 /nfs/dbraw/zinc/62/46/45/182624645.db2.gz FOPOGNNFKYBDOX-VWYCJHECSA-N 2 0 239.319 -0.957 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@H](C[NH3+])OC ZINC000353422130 174275743 /nfs/dbraw/zinc/27/57/43/174275743.db2.gz ATCFVFZMNUXAMN-JTQLQIEISA-N 2 0 247.339 -0.955 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@@H](C[NH3+])OC ZINC000353422131 174275289 /nfs/dbraw/zinc/27/52/89/174275289.db2.gz ATCFVFZMNUXAMN-SNVBAGLBSA-N 2 0 247.339 -0.955 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000353435571 387201726 /nfs/dbraw/zinc/20/17/26/387201726.db2.gz AHFKTWPTSKLSLW-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000353435582 387202133 /nfs/dbraw/zinc/20/21/33/387202133.db2.gz AHFKTWPTSKLSLW-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000353435583 387201934 /nfs/dbraw/zinc/20/19/34/387201934.db2.gz AHFKTWPTSKLSLW-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000353435585 386625100 /nfs/dbraw/zinc/62/51/00/386625100.db2.gz AHFKTWPTSKLSLW-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[N@H+](CCNC(=O)[C@H](C[NH3+])OC)C(C)C ZINC000353441547 387202276 /nfs/dbraw/zinc/20/22/76/387202276.db2.gz AHOBWOSOFOHGCN-JTQLQIEISA-N 2 0 231.340 -0.193 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H](C[NH3+])OC)C(C)C ZINC000353441553 387202182 /nfs/dbraw/zinc/20/21/82/387202182.db2.gz AHOBWOSOFOHGCN-SNVBAGLBSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000353447783 387203909 /nfs/dbraw/zinc/20/39/09/387203909.db2.gz LQPCWWCNTOOJRZ-GHMZBOCLSA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000353447789 387205032 /nfs/dbraw/zinc/20/50/32/387205032.db2.gz LQPCWWCNTOOJRZ-MNOVXSKESA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000353447790 387203837 /nfs/dbraw/zinc/20/38/37/387203837.db2.gz LQPCWWCNTOOJRZ-QWRGUYRKSA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000353447791 387204435 /nfs/dbraw/zinc/20/44/35/387204435.db2.gz LQPCWWCNTOOJRZ-WDEREUQCSA-N 2 0 243.351 -0.240 20 0 BBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000353448497 387204860 /nfs/dbraw/zinc/20/48/60/387204860.db2.gz MSFPKZSRYXODAP-GHMZBOCLSA-N 2 0 243.351 -0.240 20 0 BBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000353448499 387204359 /nfs/dbraw/zinc/20/43/59/387204359.db2.gz MSFPKZSRYXODAP-MNOVXSKESA-N 2 0 243.351 -0.240 20 0 BBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000353448500 387204515 /nfs/dbraw/zinc/20/45/15/387204515.db2.gz MSFPKZSRYXODAP-QWRGUYRKSA-N 2 0 243.351 -0.240 20 0 BBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000353448502 387198978 /nfs/dbraw/zinc/19/89/78/387198978.db2.gz MSFPKZSRYXODAP-WDEREUQCSA-N 2 0 243.351 -0.240 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000353451007 385650247 /nfs/dbraw/zinc/65/02/47/385650247.db2.gz PDTIKQUBJKJQLA-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000353451018 385649870 /nfs/dbraw/zinc/64/98/70/385649870.db2.gz PDTIKQUBJKJQLA-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000353451020 385649660 /nfs/dbraw/zinc/64/96/60/385649660.db2.gz PDTIKQUBJKJQLA-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000353451023 385650632 /nfs/dbraw/zinc/65/06/32/385650632.db2.gz PDTIKQUBJKJQLA-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000353454760 387204646 /nfs/dbraw/zinc/20/46/46/387204646.db2.gz VVKGNQHRUCGMDU-NXEZZACHSA-N 2 0 229.324 -0.584 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000353454761 387205300 /nfs/dbraw/zinc/20/53/00/387205300.db2.gz VVKGNQHRUCGMDU-UWVGGRQHSA-N 2 0 229.324 -0.584 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000353454762 174857988 /nfs/dbraw/zinc/85/79/88/174857988.db2.gz VVKGNQHRUCGMDU-VHSXEESVSA-N 2 0 229.324 -0.584 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000353454763 387204061 /nfs/dbraw/zinc/20/40/61/387204061.db2.gz VVKGNQHRUCGMDU-ZJUUUORDSA-N 2 0 229.324 -0.584 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C[NH3+])OC ZINC000353456539 134163833 /nfs/dbraw/zinc/16/38/33/134163833.db2.gz CYWGCVRZHDITAM-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C[NH3+])OC ZINC000353456546 387199773 /nfs/dbraw/zinc/19/97/73/387199773.db2.gz CYWGCVRZHDITAM-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C[NH3+])OC ZINC000353456555 387199315 /nfs/dbraw/zinc/19/93/15/387199315.db2.gz CYWGCVRZHDITAM-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C[NH3+])OC ZINC000353456560 387200234 /nfs/dbraw/zinc/20/02/34/387200234.db2.gz CYWGCVRZHDITAM-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000353460167 174859511 /nfs/dbraw/zinc/85/95/11/174859511.db2.gz OGWHINHIFWAYBQ-ATZCPNFKSA-N 2 0 241.335 -0.299 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000353460168 387206534 /nfs/dbraw/zinc/20/65/34/387206534.db2.gz OGWHINHIFWAYBQ-FXPVBKGRSA-N 2 0 241.335 -0.299 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000353460170 387207932 /nfs/dbraw/zinc/20/79/32/387207932.db2.gz OGWHINHIFWAYBQ-IQJOONFLSA-N 2 0 241.335 -0.299 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000353460171 174859893 /nfs/dbraw/zinc/85/98/93/174859893.db2.gz OGWHINHIFWAYBQ-WCABBAIRSA-N 2 0 241.335 -0.299 20 0 BBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000353460547 398328784 /nfs/dbraw/zinc/32/87/84/398328784.db2.gz OZOCPXSWIITPRX-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000353460548 398328732 /nfs/dbraw/zinc/32/87/32/398328732.db2.gz OZOCPXSWIITPRX-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C[NH3+])OC ZINC000353460549 398328745 /nfs/dbraw/zinc/32/87/45/398328745.db2.gz OZOCPXSWIITPRX-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C[NH3+])OC ZINC000353460550 387206616 /nfs/dbraw/zinc/20/66/16/387206616.db2.gz OZOCPXSWIITPRX-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000353462900 387208126 /nfs/dbraw/zinc/20/81/26/387208126.db2.gz UJEFELRCASVQLM-DVVUODLYSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000353462903 174859585 /nfs/dbraw/zinc/85/95/85/174859585.db2.gz UJEFELRCASVQLM-FBIMIBRVSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000353462905 387206643 /nfs/dbraw/zinc/20/66/43/387206643.db2.gz UJEFELRCASVQLM-INTQDDNPSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000353462907 387208559 /nfs/dbraw/zinc/20/85/59/387208559.db2.gz UJEFELRCASVQLM-JMJZKYOTSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353463112 387206916 /nfs/dbraw/zinc/20/69/16/387206916.db2.gz VILAFIWFLHBNHR-GHMZBOCLSA-N 2 0 241.335 -0.345 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353463114 387207148 /nfs/dbraw/zinc/20/71/48/387207148.db2.gz VILAFIWFLHBNHR-MNOVXSKESA-N 2 0 241.335 -0.345 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353463116 387208586 /nfs/dbraw/zinc/20/85/86/387208586.db2.gz VILAFIWFLHBNHR-QWRGUYRKSA-N 2 0 241.335 -0.345 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353463118 387208475 /nfs/dbraw/zinc/20/84/75/387208475.db2.gz VILAFIWFLHBNHR-WDEREUQCSA-N 2 0 241.335 -0.345 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@H](C[NH3+])OC ZINC000353464911 174215835 /nfs/dbraw/zinc/21/58/35/174215835.db2.gz YZKQWGQJXSFHBP-JTQLQIEISA-N 2 0 247.339 -0.955 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@@H](C[NH3+])OC ZINC000353464914 174216049 /nfs/dbraw/zinc/21/60/49/174216049.db2.gz YZKQWGQJXSFHBP-SNVBAGLBSA-N 2 0 247.339 -0.955 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353466794 387202831 /nfs/dbraw/zinc/20/28/31/387202831.db2.gz JKXACIZNUXBRAV-GARJFASQSA-N 2 0 243.351 -0.099 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353466795 387203150 /nfs/dbraw/zinc/20/31/50/387203150.db2.gz JKXACIZNUXBRAV-GMTAPVOTSA-N 2 0 243.351 -0.099 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353466796 387201593 /nfs/dbraw/zinc/20/15/93/387201593.db2.gz JKXACIZNUXBRAV-HBNTYKKESA-N 2 0 243.351 -0.099 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353466797 387202467 /nfs/dbraw/zinc/20/24/67/387202467.db2.gz JKXACIZNUXBRAV-OUAUKWLOSA-N 2 0 243.351 -0.099 20 0 BBADRP [NH3+]C1(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000353520250 181326585 /nfs/dbraw/zinc/32/65/85/181326585.db2.gz FAWSLCXZJUBTTQ-UHFFFAOYSA-N 2 0 241.335 -0.294 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000353537152 387225703 /nfs/dbraw/zinc/22/57/03/387225703.db2.gz WMYKNYMMUGNUHR-GARJFASQSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000353537153 387226775 /nfs/dbraw/zinc/22/67/75/387226775.db2.gz WMYKNYMMUGNUHR-GMTAPVOTSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000353537154 387226301 /nfs/dbraw/zinc/22/63/01/387226301.db2.gz WMYKNYMMUGNUHR-HBNTYKKESA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000353537155 387226767 /nfs/dbraw/zinc/22/67/67/387226767.db2.gz WMYKNYMMUGNUHR-OUAUKWLOSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000353541568 387225136 /nfs/dbraw/zinc/22/51/36/387225136.db2.gz ZHUWLZNSSHMONC-NXEZZACHSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000353541569 387225916 /nfs/dbraw/zinc/22/59/16/387225916.db2.gz ZHUWLZNSSHMONC-UWVGGRQHSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000353541570 387225970 /nfs/dbraw/zinc/22/59/70/387225970.db2.gz ZHUWLZNSSHMONC-VHSXEESVSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000353541571 387226000 /nfs/dbraw/zinc/22/60/00/387226000.db2.gz ZHUWLZNSSHMONC-ZJUUUORDSA-N 2 0 243.351 -0.146 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NCCN1CCOC[C@H]1C ZINC000353574414 386062711 /nfs/dbraw/zinc/06/27/11/386062711.db2.gz BUXARWBOXQCIHH-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NCCN1CCOC[C@@H]1C ZINC000353574415 386063601 /nfs/dbraw/zinc/06/36/01/386063601.db2.gz BUXARWBOXQCIHH-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CN(CCN1CCOCC1)C(=O)C1([NH3+])CC1 ZINC000353576347 387233199 /nfs/dbraw/zinc/23/31/99/387233199.db2.gz FRUMEHJYNGRMMO-UHFFFAOYSA-N 2 0 227.308 -0.732 20 0 BBADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000353578232 387234480 /nfs/dbraw/zinc/23/44/80/387234480.db2.gz IFFPABJBFHAKNS-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000353578233 386111933 /nfs/dbraw/zinc/11/19/33/386111933.db2.gz IFFPABJBFHAKNS-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000353578235 169392157 /nfs/dbraw/zinc/39/21/57/169392157.db2.gz IFFPABJBFHAKNS-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NCCN1CCOC[C@H]1C ZINC000353579999 387232528 /nfs/dbraw/zinc/23/25/28/387232528.db2.gz RKVUFGROLPSDNB-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NCCN1CCOC[C@@H]1C ZINC000353580002 387233452 /nfs/dbraw/zinc/23/34/52/387233452.db2.gz RKVUFGROLPSDNB-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000353584195 174311424 /nfs/dbraw/zinc/31/14/24/174311424.db2.gz YOIFVECYTMOCFS-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000353584196 174311605 /nfs/dbraw/zinc/31/16/05/174311605.db2.gz YOIFVECYTMOCFS-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000353584197 174314191 /nfs/dbraw/zinc/31/41/91/174314191.db2.gz YOIFVECYTMOCFS-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000353584198 174314646 /nfs/dbraw/zinc/31/46/46/174314646.db2.gz YOIFVECYTMOCFS-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000353584203 174311456 /nfs/dbraw/zinc/31/14/56/174311456.db2.gz YRDHUDADCWMARO-SECBINFHSA-N 2 0 227.308 -0.685 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000353584204 174314925 /nfs/dbraw/zinc/31/49/25/174314925.db2.gz YRDHUDADCWMARO-VIFPVBQESA-N 2 0 227.308 -0.685 20 0 BBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2([NH3+])CC2)CCO1 ZINC000353732217 387264599 /nfs/dbraw/zinc/26/45/99/387264599.db2.gz ZDSKQLANFRAOEG-SECBINFHSA-N 2 0 227.308 -0.733 20 0 BBADRP C[NH+](C)C[C@H]1CN(C(=O)C2([NH3+])CC2)CCO1 ZINC000353732219 172497087 /nfs/dbraw/zinc/49/70/87/172497087.db2.gz ZDSKQLANFRAOEG-VIFPVBQESA-N 2 0 227.308 -0.733 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000354067747 174216454 /nfs/dbraw/zinc/21/64/54/174216454.db2.gz FSUFUGFCKJDQRW-JTQLQIEISA-N 2 0 247.339 -0.955 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000354067748 174216254 /nfs/dbraw/zinc/21/62/54/174216254.db2.gz FSUFUGFCKJDQRW-SNVBAGLBSA-N 2 0 247.339 -0.955 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])COC)C(C)C ZINC000354067842 387324551 /nfs/dbraw/zinc/32/45/51/387324551.db2.gz HCVLWPLBLFWLBD-JTQLQIEISA-N 2 0 231.340 -0.193 20 0 BBADRP CC[N@H+](CCNC(=O)[C@H]([NH3+])COC)C(C)C ZINC000354067843 387324470 /nfs/dbraw/zinc/32/44/70/387324470.db2.gz HCVLWPLBLFWLBD-SNVBAGLBSA-N 2 0 231.340 -0.193 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])COC ZINC000354068731 387325800 /nfs/dbraw/zinc/32/58/00/387325800.db2.gz RUHHVDXPCVOXEE-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])COC ZINC000354068732 387325288 /nfs/dbraw/zinc/32/52/88/387325288.db2.gz RUHHVDXPCVOXEE-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]([NH3+])COC ZINC000354069128 174276035 /nfs/dbraw/zinc/27/60/35/174276035.db2.gz XWQKANTTXSJMCK-JTQLQIEISA-N 2 0 247.339 -0.955 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@H]([NH3+])COC ZINC000354069129 174276184 /nfs/dbraw/zinc/27/61/84/174276184.db2.gz XWQKANTTXSJMCK-SNVBAGLBSA-N 2 0 247.339 -0.955 20 0 BBADRP C[C@H](CNC(=O)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000354623272 387405670 /nfs/dbraw/zinc/40/56/70/387405670.db2.gz LVNKSZSNTXZQDM-LLVKDONJSA-N 2 0 242.367 -0.700 20 0 BBADRP C[C@@H](CNC(=O)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000354623273 387405925 /nfs/dbraw/zinc/40/59/25/387405925.db2.gz LVNKSZSNTXZQDM-NSHDSACASA-N 2 0 242.367 -0.700 20 0 BBADRP C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH+](C)C ZINC000355705607 387570189 /nfs/dbraw/zinc/57/01/89/387570189.db2.gz NBUNGPURZGPFAH-GHMZBOCLSA-N 2 0 243.351 -0.369 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH+](C)C ZINC000355705608 387569854 /nfs/dbraw/zinc/56/98/54/387569854.db2.gz NBUNGPURZGPFAH-MNOVXSKESA-N 2 0 243.351 -0.369 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH+](C)C ZINC000355705609 387570268 /nfs/dbraw/zinc/57/02/68/387570268.db2.gz NBUNGPURZGPFAH-QWRGUYRKSA-N 2 0 243.351 -0.369 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH+](C)C ZINC000355705610 387570241 /nfs/dbraw/zinc/57/02/41/387570241.db2.gz NBUNGPURZGPFAH-WDEREUQCSA-N 2 0 243.351 -0.369 20 0 BBADRP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000356336900 387646709 /nfs/dbraw/zinc/64/67/09/387646709.db2.gz BQDKBJLQGGBODB-BDAKNGLRSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)COC1C[NH2+]C1 ZINC000356336902 177217039 /nfs/dbraw/zinc/21/70/39/177217039.db2.gz BQDKBJLQGGBODB-DTWKUNHWSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@H]1CN(C(=O)COC2C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000356336904 177216379 /nfs/dbraw/zinc/21/63/79/177216379.db2.gz BQDKBJLQGGBODB-IUCAKERBSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000356336905 176247198 /nfs/dbraw/zinc/24/71/98/176247198.db2.gz BQDKBJLQGGBODB-RKDXNWHRSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000356377473 176245340 /nfs/dbraw/zinc/24/53/40/176245340.db2.gz XZEOJPSRSHDIMX-NXEZZACHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000356377474 177214770 /nfs/dbraw/zinc/21/47/70/177214770.db2.gz XZEOJPSRSHDIMX-UWVGGRQHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCOC1C[NH2+]C1 ZINC000356377475 177214667 /nfs/dbraw/zinc/21/46/67/177214667.db2.gz XZEOJPSRSHDIMX-VHSXEESVSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000356377476 188065127 /nfs/dbraw/zinc/06/51/27/188065127.db2.gz XZEOJPSRSHDIMX-ZJUUUORDSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000356394058 176255157 /nfs/dbraw/zinc/25/51/57/176255157.db2.gz SBHZRCLMJXJISG-BBBLOLIVSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000356394061 176258441 /nfs/dbraw/zinc/25/84/41/176258441.db2.gz SBHZRCLMJXJISG-OPRDCNLKSA-N 2 0 227.308 -0.816 20 0 BBADRP CC(C)C(=O)N1CCN(CCOCC[NH3+])CC1 ZINC000357034071 386696656 /nfs/dbraw/zinc/69/66/56/386696656.db2.gz VFGFMELIUWZUOF-UHFFFAOYSA-N 2 0 243.351 -0.238 20 0 BBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357038635 172383238 /nfs/dbraw/zinc/38/32/38/172383238.db2.gz ZOHHHXIHOIJQDN-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357038638 172386211 /nfs/dbraw/zinc/38/62/11/172386211.db2.gz ZOHHHXIHOIJQDN-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP CC(=O)NC[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357068993 386707109 /nfs/dbraw/zinc/70/71/09/386707109.db2.gz DYJLYXCECVGJIV-GFCCVEGCSA-N 2 0 243.351 -0.190 20 0 BBADRP CC(=O)NC[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357068994 386708504 /nfs/dbraw/zinc/70/85/04/386708504.db2.gz DYJLYXCECVGJIV-LBPRGKRZSA-N 2 0 243.351 -0.190 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000357071927 187377058 /nfs/dbraw/zinc/37/70/58/187377058.db2.gz COHLIDHTPRGWJT-LLVKDONJSA-N 2 0 239.323 -0.110 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000357071928 386711996 /nfs/dbraw/zinc/71/19/96/386711996.db2.gz COHLIDHTPRGWJT-NSHDSACASA-N 2 0 239.323 -0.110 20 0 BBADRP CCOCC[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000357073191 170399171 /nfs/dbraw/zinc/39/91/71/170399171.db2.gz DSSQVCBOGPFZBU-UHFFFAOYSA-N 2 0 245.367 -0.384 20 0 BBADRP NC(=O)C1([NH2+]CCOCC[NH3+])CCCCC1 ZINC000357073608 181399217 /nfs/dbraw/zinc/39/92/17/181399217.db2.gz HYEWULXLFRKJHS-UHFFFAOYSA-N 2 0 229.324 -0.261 20 0 BBADRP COCCOC[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357075549 174362168 /nfs/dbraw/zinc/36/21/68/174362168.db2.gz NPKFDRXLWUCXOI-GFCCVEGCSA-N 2 0 246.351 -0.053 20 0 BBADRP COCCOC[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357075551 174364489 /nfs/dbraw/zinc/36/44/89/174364489.db2.gz NPKFDRXLWUCXOI-LBPRGKRZSA-N 2 0 246.351 -0.053 20 0 BBADRP NC(=O)C[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357076179 187377456 /nfs/dbraw/zinc/37/74/56/187377456.db2.gz IDMXRQIFUDGSMA-JTQLQIEISA-N 2 0 229.324 -0.451 20 0 BBADRP NC(=O)C[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357076180 386711327 /nfs/dbraw/zinc/71/13/27/386711327.db2.gz IDMXRQIFUDGSMA-SNVBAGLBSA-N 2 0 229.324 -0.451 20 0 BBADRP CC(=O)N[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357079433 187377512 /nfs/dbraw/zinc/37/75/12/187377512.db2.gz SKRPQBZKHCABOW-LLVKDONJSA-N 2 0 229.324 -0.438 20 0 BBADRP CC(=O)N[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357079434 386709752 /nfs/dbraw/zinc/70/97/52/386709752.db2.gz SKRPQBZKHCABOW-NSHDSACASA-N 2 0 229.324 -0.438 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000357079498 187212972 /nfs/dbraw/zinc/21/29/72/187212972.db2.gz MEQGGZVJHSLQSZ-LLVKDONJSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000357079499 386710853 /nfs/dbraw/zinc/71/08/53/386710853.db2.gz MEQGGZVJHSLQSZ-NSHDSACASA-N 2 0 241.335 -0.295 20 0 BBADRP COCC[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000357079796 174309856 /nfs/dbraw/zinc/30/98/56/174309856.db2.gz LNRLITMVZATBRS-UHFFFAOYSA-N 2 0 231.340 -0.774 20 0 BBADRP CNC(=O)CC1CC[NH+](CCOCC[NH3+])CC1 ZINC000357079959 173233328 /nfs/dbraw/zinc/23/33/28/173233328.db2.gz DOWRLVSRQWSCCN-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP NC(=O)C[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357080338 386710816 /nfs/dbraw/zinc/71/08/16/386710816.db2.gz LTDFDKMICGNWJT-JTQLQIEISA-N 2 0 229.324 -0.308 20 0 BBADRP NC(=O)C[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000357080339 187377264 /nfs/dbraw/zinc/37/72/64/187377264.db2.gz LTDFDKMICGNWJT-SNVBAGLBSA-N 2 0 229.324 -0.308 20 0 BBADRP COCC[N@@H+]1CCN(CCOCC[NH3+])C[C@H]1C ZINC000357082233 174310017 /nfs/dbraw/zinc/31/00/17/174310017.db2.gz OXEYEMBUVQTECA-GFCCVEGCSA-N 2 0 245.367 -0.386 20 0 BBADRP COCC[N@@H+]1CCN(CCOCC[NH3+])C[C@@H]1C ZINC000357082234 174310538 /nfs/dbraw/zinc/31/05/38/174310538.db2.gz OXEYEMBUVQTECA-LBPRGKRZSA-N 2 0 245.367 -0.386 20 0 BBADRP C[C@H](O)C[N@@H+]1CCN(CCOCC[NH3+])C[C@H]1C ZINC000357085364 386715631 /nfs/dbraw/zinc/71/56/31/386715631.db2.gz SOPDPPIOIDKTRF-NEPJUHHUSA-N 2 0 245.367 -0.651 20 0 BBADRP C[C@H](O)C[N@@H+]1CCN(CCOCC[NH3+])C[C@@H]1C ZINC000357085366 386714337 /nfs/dbraw/zinc/71/43/37/386714337.db2.gz SOPDPPIOIDKTRF-RYUDHWBXSA-N 2 0 245.367 -0.651 20 0 BBADRP C[C@@H](O)C[N@@H+]1CCN(CCOCC[NH3+])C[C@H]1C ZINC000357085368 386714546 /nfs/dbraw/zinc/71/45/46/386714546.db2.gz SOPDPPIOIDKTRF-VXGBXAGGSA-N 2 0 245.367 -0.651 20 0 BBADRP NC(=O)CC[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357089304 187213841 /nfs/dbraw/zinc/21/38/41/187213841.db2.gz PKWDGTNHDCEFOT-LLVKDONJSA-N 2 0 243.351 -0.061 20 0 BBADRP NC(=O)CC[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357089305 187377190 /nfs/dbraw/zinc/37/71/90/187377190.db2.gz PKWDGTNHDCEFOT-NSHDSACASA-N 2 0 243.351 -0.061 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000357093440 386715564 /nfs/dbraw/zinc/71/55/64/386715564.db2.gz YKXANWSOWDCLDH-GFCCVEGCSA-N 2 0 241.335 -0.436 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000357093442 188066097 /nfs/dbraw/zinc/06/60/97/188066097.db2.gz YKXANWSOWDCLDH-LBPRGKRZSA-N 2 0 241.335 -0.436 20 0 BBADRP CCC(=O)N[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357098346 168238232 /nfs/dbraw/zinc/23/82/32/168238232.db2.gz ASEJOINDPIJOJC-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CCC(=O)N[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357098348 168240351 /nfs/dbraw/zinc/24/03/51/168240351.db2.gz ASEJOINDPIJOJC-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000357103909 181399374 /nfs/dbraw/zinc/39/93/74/181399374.db2.gz LOHWAMMNGPHVPS-MRVPVSSYSA-N 2 0 242.241 -0.039 20 0 BBADRP Cn1nncc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357132968 388552563 /nfs/dbraw/zinc/55/25/63/388552563.db2.gz OFFYTRSFKXNLON-VHSXEESVSA-N 2 0 221.308 -0.144 20 0 BBADRP Cn1nncc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357132970 388552081 /nfs/dbraw/zinc/55/20/81/388552081.db2.gz OFFYTRSFKXNLON-ZJUUUORDSA-N 2 0 221.308 -0.144 20 0 BBADRP C[NH2+]CCC(=O)NCCC[N@H+](C)CCOC ZINC000357169015 173340310 /nfs/dbraw/zinc/34/03/10/173340310.db2.gz BRWFSUXAKZGTTI-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP C[C@H](C[NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000357172534 386730405 /nfs/dbraw/zinc/73/04/05/386730405.db2.gz IGVPLASCEPQJJU-LLVKDONJSA-N 2 0 243.351 -0.190 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000357172535 386730338 /nfs/dbraw/zinc/73/03/38/386730338.db2.gz IGVPLASCEPQJJU-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP C[NH2+]CCC(=O)NCCCC[NH+]1CCOCC1 ZINC000357178482 173339788 /nfs/dbraw/zinc/33/97/88/173339788.db2.gz SBAWIZAYUNQPKO-UHFFFAOYSA-N 2 0 243.351 -0.176 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@@H](C)C[NH3+] ZINC000357178977 174275124 /nfs/dbraw/zinc/27/51/24/174275124.db2.gz SSCHVOSXWWSSDW-JTQLQIEISA-N 2 0 231.340 -0.334 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@H](C)C[NH3+] ZINC000357178978 174275816 /nfs/dbraw/zinc/27/58/16/174275816.db2.gz SSCHVOSXWWSSDW-SNVBAGLBSA-N 2 0 231.340 -0.334 20 0 BBADRP C[NH2+]CCC(=O)NC[C@H](C)CN1CCOCC1 ZINC000357197528 173341127 /nfs/dbraw/zinc/34/11/27/173341127.db2.gz GAZIKLRCMGCXQA-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357229945 356819254 /nfs/dbraw/zinc/81/92/54/356819254.db2.gz WTIKUAAQRQZQKM-LLVKDONJSA-N 2 0 242.367 -0.665 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357229946 356819586 /nfs/dbraw/zinc/81/95/86/356819586.db2.gz WTIKUAAQRQZQKM-NSHDSACASA-N 2 0 242.367 -0.665 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)CC[NH2+]C)CC1 ZINC000357231392 356819174 /nfs/dbraw/zinc/81/91/74/356819174.db2.gz ZONIICNNOBEGPN-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP C[NH2+]CCC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000357236559 173341729 /nfs/dbraw/zinc/34/17/29/173341729.db2.gz FOLKPENULOUOFT-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000357236560 173341484 /nfs/dbraw/zinc/34/14/84/173341484.db2.gz FOLKPENULOUOFT-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000357241164 173340205 /nfs/dbraw/zinc/34/02/05/173340205.db2.gz MNGMYLVSVHPBDQ-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000357241826 386745186 /nfs/dbraw/zinc/74/51/86/386745186.db2.gz NZMOGIKIPMEYBK-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@H](C[NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000357241830 386746162 /nfs/dbraw/zinc/74/61/62/386746162.db2.gz NZMOGIKIPMEYBK-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000357244598 174312391 /nfs/dbraw/zinc/31/23/91/174312391.db2.gz SXUBHEPXFVEPEI-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000357244930 174314992 /nfs/dbraw/zinc/31/49/92/174314992.db2.gz SXUBHEPXFVEPEI-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000357244932 174312409 /nfs/dbraw/zinc/31/24/09/174312409.db2.gz SXUBHEPXFVEPEI-VHSXEESVSA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000357244933 174314836 /nfs/dbraw/zinc/31/48/36/174314836.db2.gz SXUBHEPXFVEPEI-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000357246579 386745388 /nfs/dbraw/zinc/74/53/88/386745388.db2.gz YBPFHRDYDDGHDK-JTQLQIEISA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000357246581 386746154 /nfs/dbraw/zinc/74/61/54/386746154.db2.gz YBPFHRDYDDGHDK-SNVBAGLBSA-N 2 0 229.324 -0.582 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000357248577 386746065 /nfs/dbraw/zinc/74/60/65/386746065.db2.gz QTAQMGJUQFBFNJ-KKZNHRDASA-N 2 0 241.335 -0.299 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000357248578 386745977 /nfs/dbraw/zinc/74/59/77/386745977.db2.gz QTAQMGJUQFBFNJ-NGZCFLSTSA-N 2 0 241.335 -0.299 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000357248579 386743920 /nfs/dbraw/zinc/74/39/20/386743920.db2.gz QTAQMGJUQFBFNJ-QXEWZRGKSA-N 2 0 241.335 -0.299 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000357248580 386744511 /nfs/dbraw/zinc/74/45/11/386744511.db2.gz QTAQMGJUQFBFNJ-YWVKMMECSA-N 2 0 241.335 -0.299 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000357248620 174215274 /nfs/dbraw/zinc/21/52/74/174215274.db2.gz RFQYQWGTUWATOT-JTQLQIEISA-N 2 0 231.340 -0.334 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000357248621 174215307 /nfs/dbraw/zinc/21/53/07/174215307.db2.gz RFQYQWGTUWATOT-SNVBAGLBSA-N 2 0 231.340 -0.334 20 0 BBADRP C[NH2+]CCC(=O)NCC[N@H+](C)CCCOC ZINC000357251431 173339877 /nfs/dbraw/zinc/33/98/77/173339877.db2.gz UWLHDXIPOSCXNX-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357253100 386748153 /nfs/dbraw/zinc/74/81/53/386748153.db2.gz WIWLMQPLGFIUQV-GHMZBOCLSA-N 2 0 241.335 -0.345 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357253101 386748950 /nfs/dbraw/zinc/74/89/50/386748950.db2.gz WIWLMQPLGFIUQV-MNOVXSKESA-N 2 0 241.335 -0.345 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357253102 386749575 /nfs/dbraw/zinc/74/95/75/386749575.db2.gz WIWLMQPLGFIUQV-QWRGUYRKSA-N 2 0 241.335 -0.345 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357253103 386748718 /nfs/dbraw/zinc/74/87/18/386748718.db2.gz WIWLMQPLGFIUQV-WDEREUQCSA-N 2 0 241.335 -0.345 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000357284456 386754460 /nfs/dbraw/zinc/75/44/60/386754460.db2.gz IBAXGYCZWMNYRU-CMPLNLGQSA-N 2 0 243.351 -0.001 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000357284457 386753255 /nfs/dbraw/zinc/75/32/55/386753255.db2.gz IBAXGYCZWMNYRU-JQWIXIFHSA-N 2 0 243.351 -0.001 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000357284458 169390548 /nfs/dbraw/zinc/39/05/48/169390548.db2.gz IBAXGYCZWMNYRU-PWSUYJOCSA-N 2 0 243.351 -0.001 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000357284460 169389473 /nfs/dbraw/zinc/38/94/73/169389473.db2.gz IBAXGYCZWMNYRU-ZYHUDNBSSA-N 2 0 243.351 -0.001 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357305969 174331416 /nfs/dbraw/zinc/33/14/16/174331416.db2.gz LQQRXLBWWMTMCK-CKYFFXLPSA-N 2 0 243.351 -0.275 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357305970 174331375 /nfs/dbraw/zinc/33/13/75/174331375.db2.gz LQQRXLBWWMTMCK-HOSYDEDBSA-N 2 0 243.351 -0.275 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357305971 174331110 /nfs/dbraw/zinc/33/11/10/174331110.db2.gz LQQRXLBWWMTMCK-JBLDHEPKSA-N 2 0 243.351 -0.275 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357305972 174331142 /nfs/dbraw/zinc/33/11/42/174331142.db2.gz LQQRXLBWWMTMCK-JFGNBEQYSA-N 2 0 243.351 -0.275 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000357307062 176187098 /nfs/dbraw/zinc/18/70/98/176187098.db2.gz MQHZNGUTDXZDNC-CHWFTXMASA-N 2 0 241.335 -0.523 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000357307064 176187346 /nfs/dbraw/zinc/18/73/46/176187346.db2.gz MQHZNGUTDXZDNC-DBIOUOCHSA-N 2 0 241.335 -0.523 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000357307066 176187746 /nfs/dbraw/zinc/18/77/46/176187746.db2.gz MQHZNGUTDXZDNC-GWOFURMSSA-N 2 0 241.335 -0.523 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000357307069 176187559 /nfs/dbraw/zinc/18/75/59/176187559.db2.gz MQHZNGUTDXZDNC-ZNSHCXBVSA-N 2 0 241.335 -0.523 20 0 BBADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000357367693 386770598 /nfs/dbraw/zinc/77/05/98/386770598.db2.gz VCMVXINNVAAMGF-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000357367694 386770291 /nfs/dbraw/zinc/77/02/91/386770291.db2.gz VCMVXINNVAAMGF-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000357367695 386769778 /nfs/dbraw/zinc/76/97/78/386769778.db2.gz VCMVXINNVAAMGF-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000357367697 386770188 /nfs/dbraw/zinc/77/01/88/386770188.db2.gz VCMVXINNVAAMGF-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357919150 384433690 /nfs/dbraw/zinc/43/36/90/384433690.db2.gz JQVPUQCEYCMNJE-QWRGUYRKSA-N 2 0 243.351 -0.443 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357919154 384433881 /nfs/dbraw/zinc/43/38/81/384433881.db2.gz JQVPUQCEYCMNJE-WDEREUQCSA-N 2 0 243.351 -0.443 20 0 BBADRP CC[N@H+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000357919314 386863105 /nfs/dbraw/zinc/86/31/05/386863105.db2.gz JYHGKUFCLNAOJM-GHMZBOCLSA-N 2 0 243.351 -0.444 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000357919323 386864151 /nfs/dbraw/zinc/86/41/51/386864151.db2.gz JYHGKUFCLNAOJM-MNOVXSKESA-N 2 0 243.351 -0.444 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000357919326 386863334 /nfs/dbraw/zinc/86/33/34/386863334.db2.gz JYHGKUFCLNAOJM-QWRGUYRKSA-N 2 0 243.351 -0.444 20 0 BBADRP CC[N@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000357919330 386863231 /nfs/dbraw/zinc/86/32/31/386863231.db2.gz JYHGKUFCLNAOJM-WDEREUQCSA-N 2 0 243.351 -0.444 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358037743 188067172 /nfs/dbraw/zinc/06/71/72/188067172.db2.gz ATOUVRVKXHOHDU-GFCCVEGCSA-N 2 0 243.351 -0.491 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358037744 386884124 /nfs/dbraw/zinc/88/41/24/386884124.db2.gz ATOUVRVKXHOHDU-LBPRGKRZSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000358052312 386885115 /nfs/dbraw/zinc/88/51/15/386885115.db2.gz SXPRTSZWDCGDAU-CMPLNLGQSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000358052313 386885683 /nfs/dbraw/zinc/88/56/83/386885683.db2.gz SXPRTSZWDCGDAU-JQWIXIFHSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000358052314 171229783 /nfs/dbraw/zinc/22/97/83/171229783.db2.gz SXPRTSZWDCGDAU-PWSUYJOCSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000358052315 171230712 /nfs/dbraw/zinc/23/07/12/171230712.db2.gz SXPRTSZWDCGDAU-ZYHUDNBSSA-N 2 0 243.351 -0.491 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358053468 169073808 /nfs/dbraw/zinc/07/38/08/169073808.db2.gz WEODXQJTMVAWAV-GFCCVEGCSA-N 2 0 243.351 -0.489 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358053469 169070156 /nfs/dbraw/zinc/07/01/56/169070156.db2.gz WEODXQJTMVAWAV-LBPRGKRZSA-N 2 0 243.351 -0.489 20 0 BBADRP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358063879 173139200 /nfs/dbraw/zinc/13/92/00/173139200.db2.gz JIPAGZXNPLQLHJ-CMPLNLGQSA-N 2 0 241.335 -0.737 20 0 BBADRP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358063880 173166070 /nfs/dbraw/zinc/16/60/70/173166070.db2.gz JIPAGZXNPLQLHJ-JQWIXIFHSA-N 2 0 241.335 -0.737 20 0 BBADRP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358063881 173165273 /nfs/dbraw/zinc/16/52/73/173165273.db2.gz JIPAGZXNPLQLHJ-PWSUYJOCSA-N 2 0 241.335 -0.737 20 0 BBADRP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358063882 173139179 /nfs/dbraw/zinc/13/91/79/173139179.db2.gz JIPAGZXNPLQLHJ-ZYHUDNBSSA-N 2 0 241.335 -0.737 20 0 BBADRP CCCCNC(=O)CCN1CCO[C@H](C[NH3+])C1 ZINC000358132602 386895927 /nfs/dbraw/zinc/89/59/27/386895927.db2.gz ZVRQQPQLJGIIOU-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CCCCNC(=O)CCN1CCO[C@@H](C[NH3+])C1 ZINC000358132603 386897196 /nfs/dbraw/zinc/89/71/96/386897196.db2.gz ZVRQQPQLJGIIOU-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP [NH3+]C[C@@H]1CN(CCCN2CCOCC2)CCO1 ZINC000358132653 386896200 /nfs/dbraw/zinc/89/62/00/386896200.db2.gz DYTCVQPUIHNZCU-GFCCVEGCSA-N 2 0 243.351 -0.632 20 0 BBADRP [NH3+]C[C@H]1CN(CCCN2CCOCC2)CCO1 ZINC000358132654 386896426 /nfs/dbraw/zinc/89/64/26/386896426.db2.gz DYTCVQPUIHNZCU-LBPRGKRZSA-N 2 0 243.351 -0.632 20 0 BBADRP CC[N@H+]1C[C@H](NC[C@@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000358168459 170036030 /nfs/dbraw/zinc/03/60/30/170036030.db2.gz QKWCLOWSJPSJAE-AVGNSLFASA-N 2 0 241.379 -0.017 20 0 BBADRP CC[N@H+]1C[C@H](NC[C@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000358168462 170037134 /nfs/dbraw/zinc/03/71/34/170037134.db2.gz QKWCLOWSJPSJAE-RWMBFGLXSA-N 2 0 241.379 -0.017 20 0 BBADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000358168465 170039121 /nfs/dbraw/zinc/03/91/21/170039121.db2.gz QKWCLOWSJPSJAE-XQQFMLRXSA-N 2 0 241.379 -0.017 20 0 BBADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000358168468 170038952 /nfs/dbraw/zinc/03/89/52/170038952.db2.gz QKWCLOWSJPSJAE-YNEHKIRRSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@]1(O)CC[NH+](C)C1 ZINC000358230149 176270025 /nfs/dbraw/zinc/27/00/25/176270025.db2.gz GVRYXGGISYXPNB-AGIUHOORSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@]1(O)CC[NH+](C)C1 ZINC000358230151 176269841 /nfs/dbraw/zinc/26/98/41/176269841.db2.gz GVRYXGGISYXPNB-FRRDWIJNSA-N 3 0 241.379 -0.017 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@]1(O)CC[NH+](C)C1 ZINC000358230153 176270637 /nfs/dbraw/zinc/27/06/37/176270637.db2.gz GVRYXGGISYXPNB-JHJVBQTASA-N 3 0 241.379 -0.017 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@]1(O)CC[NH+](C)C1 ZINC000358230155 176270402 /nfs/dbraw/zinc/27/04/02/176270402.db2.gz GVRYXGGISYXPNB-UPJWGTAASA-N 2 0 241.379 -0.017 20 0 BBADRP CC(C)[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000358497103 188240668 /nfs/dbraw/zinc/24/06/68/188240668.db2.gz LUELJOLQHSCHDF-GHMZBOCLSA-N 2 0 243.351 -0.241 20 0 BBADRP CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000358497114 167342402 /nfs/dbraw/zinc/34/24/02/167342402.db2.gz LUELJOLQHSCHDF-MNOVXSKESA-N 2 0 243.351 -0.241 20 0 BBADRP CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000358497116 167342483 /nfs/dbraw/zinc/34/24/83/167342483.db2.gz LUELJOLQHSCHDF-QWRGUYRKSA-N 2 0 243.351 -0.241 20 0 BBADRP CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000358497118 187553666 /nfs/dbraw/zinc/55/36/66/187553666.db2.gz LUELJOLQHSCHDF-WDEREUQCSA-N 2 0 243.351 -0.241 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000358498237 169067530 /nfs/dbraw/zinc/06/75/30/169067530.db2.gz OIFQWIUKANDWRA-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000358498241 169067983 /nfs/dbraw/zinc/06/79/83/169067983.db2.gz OIFQWIUKANDWRA-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCC1 ZINC000358524133 175696674 /nfs/dbraw/zinc/69/66/74/175696674.db2.gz MLUIUVLBGXSYIW-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP C[C@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCC1 ZINC000358524138 386974324 /nfs/dbraw/zinc/97/43/24/386974324.db2.gz MLUIUVLBGXSYIW-SNVBAGLBSA-N 2 0 228.340 -0.059 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000359198819 169423065 /nfs/dbraw/zinc/42/30/65/169423065.db2.gz OCUGICIETRTNCS-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CCOC ZINC000359215461 387067413 /nfs/dbraw/zinc/06/74/13/387067413.db2.gz FMAXDHNHNGELAZ-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CCOC ZINC000359215550 387068126 /nfs/dbraw/zinc/06/81/26/387068126.db2.gz FMAXDHNHNGELAZ-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C(CN1CCOCC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359283850 187379590 /nfs/dbraw/zinc/37/95/90/187379590.db2.gz KBTKSUPOKNADJA-BETUJISGSA-N 2 0 239.363 -0.140 20 0 BBADRP C(CN1CCOCC1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359283853 387079184 /nfs/dbraw/zinc/07/91/84/387079184.db2.gz KBTKSUPOKNADJA-CHWSQXEVSA-N 2 0 239.363 -0.140 20 0 BBADRP C(CN1CCOCC1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359283855 187216128 /nfs/dbraw/zinc/21/61/28/187216128.db2.gz KBTKSUPOKNADJA-STQMWFEESA-N 2 0 239.363 -0.140 20 0 BBADRP O=C1[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCN1C1CC1 ZINC000359310433 487786070 /nfs/dbraw/zinc/78/60/70/487786070.db2.gz SDPPNEFKCMQKHB-CKYFFXLPSA-N 2 0 235.331 -0.099 20 0 BBADRP O=C1[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCN1C1CC1 ZINC000359310435 487786425 /nfs/dbraw/zinc/78/64/25/487786425.db2.gz SDPPNEFKCMQKHB-JBLDHEPKSA-N 2 0 235.331 -0.099 20 0 BBADRP O=C1[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CC1 ZINC000359310438 487785988 /nfs/dbraw/zinc/78/59/88/487785988.db2.gz SDPPNEFKCMQKHB-JFGNBEQYSA-N 2 0 235.331 -0.099 20 0 BBADRP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CC1 ZINC000359310439 487786279 /nfs/dbraw/zinc/78/62/79/487786279.db2.gz SDPPNEFKCMQKHB-UMNHJUIQSA-N 2 0 235.331 -0.099 20 0 BBADRP CN(C)C(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360573578 172353251 /nfs/dbraw/zinc/35/32/51/172353251.db2.gz SGXQZQPLEICPIT-NXEZZACHSA-N 2 0 226.324 -0.064 20 0 BBADRP CN(C)C(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360573579 172353955 /nfs/dbraw/zinc/35/39/55/172353955.db2.gz SGXQZQPLEICPIT-UWVGGRQHSA-N 2 0 226.324 -0.064 20 0 BBADRP CN(C)C(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360573580 172353273 /nfs/dbraw/zinc/35/32/73/172353273.db2.gz SGXQZQPLEICPIT-VHSXEESVSA-N 2 0 226.324 -0.064 20 0 BBADRP CN(C)C(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360573581 172353492 /nfs/dbraw/zinc/35/34/92/172353492.db2.gz SGXQZQPLEICPIT-ZJUUUORDSA-N 2 0 226.324 -0.064 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000360855727 387358683 /nfs/dbraw/zinc/35/86/83/387358683.db2.gz WOHYQCYKBXMEJI-JTQLQIEISA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000360855730 387357498 /nfs/dbraw/zinc/35/74/98/387357498.db2.gz WOHYQCYKBXMEJI-SNVBAGLBSA-N 2 0 213.325 -0.042 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H](O)C[NH+](C)C ZINC000361214403 176281992 /nfs/dbraw/zinc/28/19/92/176281992.db2.gz FDRXJIMPIUETBQ-KGYLQXTDSA-N 2 0 241.379 -0.019 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000361214404 176281274 /nfs/dbraw/zinc/28/12/74/176281274.db2.gz FDRXJIMPIUETBQ-RAIGVLPGSA-N 2 0 241.379 -0.019 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000361214405 176282227 /nfs/dbraw/zinc/28/22/27/176282227.db2.gz FDRXJIMPIUETBQ-RTXFEEFZSA-N 2 0 241.379 -0.019 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000361214406 176281803 /nfs/dbraw/zinc/28/18/03/176281803.db2.gz FDRXJIMPIUETBQ-WXHSDQCUSA-N 2 0 241.379 -0.019 20 0 BBADRP C[N@H+]([C@@H]1COC[C@@H]1O)C1CCN(CCO)CC1 ZINC000361287338 387431609 /nfs/dbraw/zinc/43/16/09/387431609.db2.gz JHCVDZCWFKFSAS-NEPJUHHUSA-N 2 0 244.335 -0.865 20 0 BBADRP C[N@H+]([C@H]1COC[C@H]1O)C1CCN(CCO)CC1 ZINC000361287343 387431936 /nfs/dbraw/zinc/43/19/36/387431936.db2.gz JHCVDZCWFKFSAS-NWDGAFQWSA-N 2 0 244.335 -0.865 20 0 BBADRP C[N@H+]([C@H]1COC[C@@H]1O)C1CCN(CCO)CC1 ZINC000361287344 387432655 /nfs/dbraw/zinc/43/26/55/387432655.db2.gz JHCVDZCWFKFSAS-RYUDHWBXSA-N 2 0 244.335 -0.865 20 0 BBADRP C[N@H+]([C@@H]1COC[C@H]1O)C1CCN(CCO)CC1 ZINC000361287346 387432427 /nfs/dbraw/zinc/43/24/27/387432427.db2.gz JHCVDZCWFKFSAS-VXGBXAGGSA-N 2 0 244.335 -0.865 20 0 BBADRP C[C@H](O)C[NH+](C)CCOCC[N@@H+](C)C[C@H](C)O ZINC000361500010 387475019 /nfs/dbraw/zinc/47/50/19/387475019.db2.gz YNCUAQMDYAMPMX-RYUDHWBXSA-N 2 0 248.367 -0.372 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000361711559 176093397 /nfs/dbraw/zinc/09/33/97/176093397.db2.gz SVKSYHIPLDLRHW-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP COCC[C@]1(C(=O)NC2C[NH2+]C2)CC[NH2+]C1 ZINC000361730201 387524949 /nfs/dbraw/zinc/52/49/49/387524949.db2.gz WXPVVLUKEXSBML-LLVKDONJSA-N 2 0 227.308 -0.909 20 0 BBADRP COCC[C@@]1(C(=O)NC2C[NH2+]C2)CC[NH2+]C1 ZINC000361730220 387524614 /nfs/dbraw/zinc/52/46/14/387524614.db2.gz WXPVVLUKEXSBML-NSHDSACASA-N 2 0 227.308 -0.909 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000361736299 170114841 /nfs/dbraw/zinc/11/48/41/170114841.db2.gz YQQKAGFZXUWQDL-GFCCVEGCSA-N 2 0 243.351 -0.272 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000361736300 170114787 /nfs/dbraw/zinc/11/47/87/170114787.db2.gz YQQKAGFZXUWQDL-LBPRGKRZSA-N 2 0 243.351 -0.272 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000361959452 535476040 /nfs/dbraw/zinc/47/60/40/535476040.db2.gz OSQBJHZXYVFVHA-VIFPVBQESA-N 2 0 203.261 -0.586 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)C[NH+](C)C ZINC000362104369 174290379 /nfs/dbraw/zinc/29/03/79/174290379.db2.gz CAZFAOQJXWTWSB-UHFFFAOYSA-N 2 0 231.340 -0.415 20 0 BBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C)CC1 ZINC000362365373 177234375 /nfs/dbraw/zinc/23/43/75/177234375.db2.gz NOLPDPUCAWDZMY-QWRGUYRKSA-N 2 0 225.336 -0.042 20 0 BBADRP C[NH+](C)CCSc1nnnn1CC[NH+](C)C ZINC000362666046 387648615 /nfs/dbraw/zinc/64/86/15/387648615.db2.gz DVEFTACOBHAELS-UHFFFAOYSA-N 2 0 244.368 -0.112 20 0 BBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000362990630 177237290 /nfs/dbraw/zinc/23/72/90/177237290.db2.gz PISHVTWVAXNXPA-GXSJLCMTSA-N 2 0 225.336 -0.044 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000362990631 176271247 /nfs/dbraw/zinc/27/12/47/176271247.db2.gz PISHVTWVAXNXPA-KOLCDFICSA-N 2 0 225.336 -0.044 20 0 BBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000362990632 176275924 /nfs/dbraw/zinc/27/59/24/176275924.db2.gz PISHVTWVAXNXPA-MWLCHTKSSA-N 2 0 225.336 -0.044 20 0 BBADRP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363100680 387688226 /nfs/dbraw/zinc/68/82/26/387688226.db2.gz MAOFMLXNZHLWLJ-GHMZBOCLSA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363100681 387688103 /nfs/dbraw/zinc/68/81/03/387688103.db2.gz MAOFMLXNZHLWLJ-MNOVXSKESA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363100682 387689013 /nfs/dbraw/zinc/68/90/13/387689013.db2.gz MAOFMLXNZHLWLJ-QWRGUYRKSA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363100683 387687661 /nfs/dbraw/zinc/68/76/61/387687661.db2.gz MAOFMLXNZHLWLJ-WDEREUQCSA-N 2 0 241.335 -0.473 20 0 BBADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)C1C[NH2+]C1 ZINC000363667892 182392730 /nfs/dbraw/zinc/39/27/30/182392730.db2.gz AAMSCVXQBIMUNU-UHFFFAOYSA-N 2 0 232.287 -0.115 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000363731977 182293880 /nfs/dbraw/zinc/29/38/80/182293880.db2.gz BSJLGBHXQGFTLC-CKYFFXLPSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000363731978 182293540 /nfs/dbraw/zinc/29/35/40/182293540.db2.gz BSJLGBHXQGFTLC-FOGDFJRCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000363731979 182293590 /nfs/dbraw/zinc/29/35/90/182293590.db2.gz BSJLGBHXQGFTLC-JFGNBEQYSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000363731980 182293470 /nfs/dbraw/zinc/29/34/70/182293470.db2.gz BSJLGBHXQGFTLC-SCVCMEIPSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC1C[NH2+]C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000363981927 182119478 /nfs/dbraw/zinc/11/94/78/182119478.db2.gz CXNVOONRKUGQLM-JTQLQIEISA-N 2 0 249.318 -0.491 20 0 BBADRP O=C(NC1C[NH2+]C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000363981928 182119277 /nfs/dbraw/zinc/11/92/77/182119277.db2.gz CXNVOONRKUGQLM-SNVBAGLBSA-N 2 0 249.318 -0.491 20 0 BBADRP CC(C)([NH3+])CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000363994221 384825520 /nfs/dbraw/zinc/82/55/20/384825520.db2.gz FOZVSNGUIJYZIB-UHFFFAOYSA-N 2 0 237.307 -0.478 20 0 BBADRP O=C([C@H]1COCCN1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364038326 384892256 /nfs/dbraw/zinc/89/22/56/384892256.db2.gz NSKTZHFWHXMPFX-OUAUKWLOSA-N 2 0 239.319 -0.672 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000364046018 177175679 /nfs/dbraw/zinc/17/56/79/177175679.db2.gz WJPGWKFZOGHERA-AXTSPUMRSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000364046019 177174218 /nfs/dbraw/zinc/17/42/18/177174218.db2.gz WJPGWKFZOGHERA-QEYWKRMJSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000364046020 176185546 /nfs/dbraw/zinc/18/55/46/176185546.db2.gz WJPGWKFZOGHERA-RGOKHQFPSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000364115052 176259158 /nfs/dbraw/zinc/25/91/58/176259158.db2.gz HEANRGDEXNHCKE-HRDYMLBCSA-N 2 0 215.272 -0.493 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC000364155065 176258857 /nfs/dbraw/zinc/25/88/57/176258857.db2.gz IBQNCJSVFLVGFC-CKYFFXLPSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC000364155066 176259121 /nfs/dbraw/zinc/25/91/21/176259121.db2.gz IBQNCJSVFLVGFC-FOGDFJRCSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC000364155067 176256085 /nfs/dbraw/zinc/25/60/85/176256085.db2.gz IBQNCJSVFLVGFC-JFGNBEQYSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC000364155068 176256267 /nfs/dbraw/zinc/25/62/67/176256267.db2.gz IBQNCJSVFLVGFC-SCVCMEIPSA-N 2 0 223.320 -0.194 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000364171348 188002084 /nfs/dbraw/zinc/00/20/84/188002084.db2.gz OKEFFJPJFVNILM-DTWKUNHWSA-N 2 0 229.324 -0.454 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000364171349 385209419 /nfs/dbraw/zinc/20/94/19/385209419.db2.gz OKEFFJPJFVNILM-RKDXNWHRSA-N 2 0 229.324 -0.454 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000364187173 181577316 /nfs/dbraw/zinc/57/73/16/181577316.db2.gz ZOHVAKDQSDSCJU-CKYFFXLPSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000364187174 385228374 /nfs/dbraw/zinc/22/83/74/385228374.db2.gz ZOHVAKDQSDSCJU-FOGDFJRCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000364187175 385229452 /nfs/dbraw/zinc/22/94/52/385229452.db2.gz ZOHVAKDQSDSCJU-JFGNBEQYSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000364187176 385227813 /nfs/dbraw/zinc/22/78/13/385227813.db2.gz ZOHVAKDQSDSCJU-SCVCMEIPSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000364192627 385238819 /nfs/dbraw/zinc/23/88/19/385238819.db2.gz AWPGEBXMAQENNY-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000364192628 181467067 /nfs/dbraw/zinc/46/70/67/181467067.db2.gz AWPGEBXMAQENNY-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000364192629 385239248 /nfs/dbraw/zinc/23/92/48/385239248.db2.gz AWPGEBXMAQENNY-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000364192630 385239609 /nfs/dbraw/zinc/23/96/09/385239609.db2.gz AWPGEBXMAQENNY-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CCO1 ZINC000364195923 385242959 /nfs/dbraw/zinc/24/29/59/385242959.db2.gz OPCYZWHSZGOFKH-SECBINFHSA-N 2 0 227.308 -0.556 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C2([NH3+])CCCC2)CCO1 ZINC000364195925 181466927 /nfs/dbraw/zinc/46/69/27/181466927.db2.gz OPCYZWHSZGOFKH-VIFPVBQESA-N 2 0 227.308 -0.556 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364197711 385241567 /nfs/dbraw/zinc/24/15/67/385241567.db2.gz VWMDQSNAHPNTLF-OUAUKWLOSA-N 2 0 239.319 -0.672 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364211465 385255810 /nfs/dbraw/zinc/25/58/10/385255810.db2.gz AOGWHJLUNRACQM-GMTAPVOTSA-N 2 0 243.351 -0.444 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000364215952 388564285 /nfs/dbraw/zinc/56/42/85/388564285.db2.gz QRJDMRXKQCEGJP-DJLDLDEBSA-N 2 0 215.272 -0.493 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000364215953 388563987 /nfs/dbraw/zinc/56/39/87/388563987.db2.gz QRJDMRXKQCEGJP-XHNCKOQMSA-N 2 0 215.272 -0.493 20 0 BBADRP C[N@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000364221747 385263214 /nfs/dbraw/zinc/26/32/14/385263214.db2.gz PSSCBAXDQUVTRH-WCBMZHEXSA-N 2 0 229.299 -0.103 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000364222469 385266098 /nfs/dbraw/zinc/26/60/98/385266098.db2.gz WPFIGQGIXKLXMX-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000364222470 385266642 /nfs/dbraw/zinc/26/66/42/385266642.db2.gz WPFIGQGIXKLXMX-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000364238487 385280871 /nfs/dbraw/zinc/28/08/71/385280871.db2.gz RXEDZGXENHJLSN-LLVKDONJSA-N 2 0 229.299 -0.102 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000364238488 385281540 /nfs/dbraw/zinc/28/15/40/385281540.db2.gz RXEDZGXENHJLSN-NSHDSACASA-N 2 0 229.299 -0.102 20 0 BBADRP [NH3+][C@H]1CCC[C@]12CCN(C(=O)C1C[NH2+]C1)C2 ZINC000364253357 181648309 /nfs/dbraw/zinc/64/83/09/181648309.db2.gz FLLRMYFXOXUMNR-CMPLNLGQSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@H]1CCC[C@@]12CCN(C(=O)C1C[NH2+]C1)C2 ZINC000364253360 385298251 /nfs/dbraw/zinc/29/82/51/385298251.db2.gz FLLRMYFXOXUMNR-JQWIXIFHSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)C1C[NH2+]C1)C2 ZINC000364253362 385297600 /nfs/dbraw/zinc/29/76/00/385297600.db2.gz FLLRMYFXOXUMNR-PWSUYJOCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)C1C[NH2+]C1)C2 ZINC000364253364 385297424 /nfs/dbraw/zinc/29/74/24/385297424.db2.gz FLLRMYFXOXUMNR-ZYHUDNBSSA-N 2 0 223.320 -0.064 20 0 BBADRP CC[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000364301088 385339863 /nfs/dbraw/zinc/33/98/63/385339863.db2.gz CNHCGMGFYJBAIV-CMPLNLGQSA-N 2 0 241.335 -0.295 20 0 BBADRP CC[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000364301089 171196558 /nfs/dbraw/zinc/19/65/58/171196558.db2.gz CNHCGMGFYJBAIV-JQWIXIFHSA-N 2 0 241.335 -0.295 20 0 BBADRP CC[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000364301090 171196440 /nfs/dbraw/zinc/19/64/40/171196440.db2.gz CNHCGMGFYJBAIV-PWSUYJOCSA-N 2 0 241.335 -0.295 20 0 BBADRP CC[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000364301091 385339770 /nfs/dbraw/zinc/33/97/70/385339770.db2.gz CNHCGMGFYJBAIV-ZYHUDNBSSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C2([NH3+])CCCCC2)CCO1 ZINC000364302495 385339350 /nfs/dbraw/zinc/33/93/50/385339350.db2.gz KHLLSGHWPSWGMN-JTQLQIEISA-N 2 0 241.335 -0.166 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)CCO1 ZINC000364302496 385339386 /nfs/dbraw/zinc/33/93/86/385339386.db2.gz KHLLSGHWPSWGMN-SNVBAGLBSA-N 2 0 241.335 -0.166 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000364307945 385344797 /nfs/dbraw/zinc/34/47/97/385344797.db2.gz VHQLOIDYJZQVOW-JTQLQIEISA-N 2 0 229.324 -0.487 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000364307946 385345560 /nfs/dbraw/zinc/34/55/60/385345560.db2.gz VHQLOIDYJZQVOW-SNVBAGLBSA-N 2 0 229.324 -0.487 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000364543409 388564064 /nfs/dbraw/zinc/56/40/64/388564064.db2.gz MTNFAGSKJXRANA-DJLDLDEBSA-N 2 0 215.272 -0.364 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[NH2+]CCO1 ZINC000364558061 172624764 /nfs/dbraw/zinc/62/47/64/172624764.db2.gz IEVWLUUIDZKXFS-SECBINFHSA-N 2 0 229.324 -0.582 20 0 BBADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000364601464 172329781 /nfs/dbraw/zinc/32/97/81/172329781.db2.gz PJLFARIPXYELPQ-JBLDHEPKSA-N 2 0 223.320 -0.194 20 0 BBADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000364601465 172330156 /nfs/dbraw/zinc/33/01/56/172330156.db2.gz PJLFARIPXYELPQ-JFGNBEQYSA-N 2 0 223.320 -0.194 20 0 BBADRP CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000364601466 172330773 /nfs/dbraw/zinc/33/07/73/172330773.db2.gz PJLFARIPXYELPQ-NHCYSSNCSA-N 2 0 223.320 -0.194 20 0 BBADRP CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000364601467 172331038 /nfs/dbraw/zinc/33/10/38/172331038.db2.gz PJLFARIPXYELPQ-SCVCMEIPSA-N 2 0 223.320 -0.194 20 0 BBADRP [NH3+]C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC1 ZINC000364722865 385505669 /nfs/dbraw/zinc/50/56/69/385505669.db2.gz HZKTVPBSVMQAHG-JTQLQIEISA-N 2 0 249.318 -0.478 20 0 BBADRP [NH3+]C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC1 ZINC000364722867 385505882 /nfs/dbraw/zinc/50/58/82/385505882.db2.gz HZKTVPBSVMQAHG-SNVBAGLBSA-N 2 0 249.318 -0.478 20 0 BBADRP CC(C)(C[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364731955 385507229 /nfs/dbraw/zinc/50/72/29/385507229.db2.gz ULMZENBUAXLRPZ-UHFFFAOYSA-N 2 0 237.307 -0.478 20 0 BBADRP C[NH+](C)C1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000364736282 388564173 /nfs/dbraw/zinc/56/41/73/388564173.db2.gz GTIBHISZDXURIT-IONNQARKSA-N 2 0 215.272 -0.541 20 0 BBADRP C[NH+](C)C1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000364741792 385508827 /nfs/dbraw/zinc/50/88/27/385508827.db2.gz VZQRRBKCZMKADI-UHFFFAOYSA-N 2 0 249.318 -0.559 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364872721 385535502 /nfs/dbraw/zinc/53/55/02/385535502.db2.gz QLCGNFJLJYENPT-GMTAPVOTSA-N 2 0 243.351 -0.459 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000364872722 187317199 /nfs/dbraw/zinc/31/71/99/187317199.db2.gz QLCGNFJLJYENPT-MXWKQRLJSA-N 2 0 243.351 -0.459 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000364876136 182237902 /nfs/dbraw/zinc/23/79/02/182237902.db2.gz GRGXETYYUHGJAP-GXSJLCMTSA-N 2 0 229.299 -0.196 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000364876144 385535295 /nfs/dbraw/zinc/53/52/95/385535295.db2.gz GRGXETYYUHGJAP-KOLCDFICSA-N 2 0 229.299 -0.196 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000364876145 188006675 /nfs/dbraw/zinc/00/66/75/188006675.db2.gz GRGXETYYUHGJAP-MWLCHTKSSA-N 2 0 229.299 -0.196 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000364876147 182238039 /nfs/dbraw/zinc/23/80/39/182238039.db2.gz GRGXETYYUHGJAP-ONGXEEELSA-N 2 0 229.299 -0.196 20 0 BBADRP O=C(C1C[NH2+]C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000364880317 385535232 /nfs/dbraw/zinc/53/52/32/385535232.db2.gz KQSVNIYDJSIWLO-UHFFFAOYSA-N 2 0 223.320 -0.098 20 0 BBADRP [NH3+]C1(C(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000364885814 181324033 /nfs/dbraw/zinc/32/40/33/181324033.db2.gz MIWFDFJJAGWGMK-UHFFFAOYSA-N 2 0 245.326 -0.086 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000364986466 384901093 /nfs/dbraw/zinc/90/10/93/384901093.db2.gz LGYPQKZZDZXTNN-AEJSXWLSSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000364986475 384900084 /nfs/dbraw/zinc/90/00/84/384900084.db2.gz LGYPQKZZDZXTNN-GUBZILKMSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364986477 384900416 /nfs/dbraw/zinc/90/04/16/384900416.db2.gz LGYPQKZZDZXTNN-IVZWLZJFSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364986478 384899635 /nfs/dbraw/zinc/89/96/35/384899635.db2.gz LGYPQKZZDZXTNN-LPEHRKFASA-N 2 0 211.309 -0.114 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365083089 348869620 /nfs/dbraw/zinc/86/96/20/348869620.db2.gz GXIKQGHXZNNABY-HBNTYKKESA-N 2 0 241.335 -0.690 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000365093519 174770332 /nfs/dbraw/zinc/77/03/32/174770332.db2.gz SQEOQYFSTHUWOV-OUAUKWLOSA-N 2 0 241.335 -0.378 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094816 173328145 /nfs/dbraw/zinc/32/81/45/173328145.db2.gz XVNSTGJGYICRFB-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365094817 173328053 /nfs/dbraw/zinc/32/80/53/173328053.db2.gz XVNSTGJGYICRFB-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365094818 173328224 /nfs/dbraw/zinc/32/82/24/173328224.db2.gz XVNSTGJGYICRFB-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094819 173327559 /nfs/dbraw/zinc/32/75/59/173327559.db2.gz XVNSTGJGYICRFB-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365104755 348910766 /nfs/dbraw/zinc/91/07/66/348910766.db2.gz KXPBXHYGYHMUIW-IVZWLZJFSA-N 2 0 229.324 -0.657 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365104757 169002641 /nfs/dbraw/zinc/00/26/41/169002641.db2.gz KXPBXHYGYHMUIW-OPRDCNLKSA-N 2 0 229.324 -0.657 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000365105298 385603047 /nfs/dbraw/zinc/60/30/47/385603047.db2.gz OJPYVWWITOJUEE-VHSXEESVSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365105699 385603672 /nfs/dbraw/zinc/60/36/72/385603672.db2.gz QLCGNFJLJYENPT-OUAUKWLOSA-N 2 0 243.351 -0.459 20 0 BBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCCCC1 ZINC000365106737 181330690 /nfs/dbraw/zinc/33/06/90/181330690.db2.gz WNPMLYKXVWLVQS-NXEZZACHSA-N 2 0 241.335 -0.513 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000365160170 168417869 /nfs/dbraw/zinc/41/78/69/168417869.db2.gz WWQUJMDTHVXFHM-RKDXNWHRSA-N 2 0 229.324 -0.657 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365246773 384911467 /nfs/dbraw/zinc/91/14/67/384911467.db2.gz QBOBCDBHRCAVGA-NXEZZACHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365246775 384913736 /nfs/dbraw/zinc/91/37/36/384913736.db2.gz QBOBCDBHRCAVGA-UWVGGRQHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365246776 384910436 /nfs/dbraw/zinc/91/04/36/384910436.db2.gz QBOBCDBHRCAVGA-VHSXEESVSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365246777 384913009 /nfs/dbraw/zinc/91/30/09/384913009.db2.gz QBOBCDBHRCAVGA-ZJUUUORDSA-N 2 0 211.309 -0.242 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000365249097 537861912 /nfs/dbraw/zinc/86/19/12/537861912.db2.gz PWPMULUAWQKERS-AATLWQCWSA-N 2 0 229.299 -0.057 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000365249098 176459605 /nfs/dbraw/zinc/45/96/05/176459605.db2.gz PWPMULUAWQKERS-AXTSPUMRSA-N 2 0 229.299 -0.057 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000365249099 177395847 /nfs/dbraw/zinc/39/58/47/177395847.db2.gz PWPMULUAWQKERS-UTINFBMNSA-N 2 0 229.299 -0.057 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000365249100 177395429 /nfs/dbraw/zinc/39/54/29/177395429.db2.gz PWPMULUAWQKERS-XFWSIPNHSA-N 2 0 229.299 -0.057 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365315601 174331690 /nfs/dbraw/zinc/33/16/90/174331690.db2.gz DSQWWIMQHMSQNB-GHMZBOCLSA-N 2 0 241.335 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365315617 174331201 /nfs/dbraw/zinc/33/12/01/174331201.db2.gz DSQWWIMQHMSQNB-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365315621 174331622 /nfs/dbraw/zinc/33/16/22/174331622.db2.gz DSQWWIMQHMSQNB-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365315623 174331035 /nfs/dbraw/zinc/33/10/35/174331035.db2.gz DSQWWIMQHMSQNB-WDEREUQCSA-N 2 0 241.335 -0.567 20 0 BBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCCCC1 ZINC000365329685 181330680 /nfs/dbraw/zinc/33/06/80/181330680.db2.gz WNPMLYKXVWLVQS-VHSXEESVSA-N 2 0 241.335 -0.513 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365334035 388564588 /nfs/dbraw/zinc/56/45/88/388564588.db2.gz NTUUYVFAQHNZGU-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365334041 388564527 /nfs/dbraw/zinc/56/45/27/388564527.db2.gz NTUUYVFAQHNZGU-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365334042 388564766 /nfs/dbraw/zinc/56/47/66/388564766.db2.gz NTUUYVFAQHNZGU-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365334044 388564736 /nfs/dbraw/zinc/56/47/36/388564736.db2.gz NTUUYVFAQHNZGU-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[NH2+]CCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000365422655 170113326 /nfs/dbraw/zinc/11/33/26/170113326.db2.gz VHKYQNMYZZRVTF-UHFFFAOYSA-N 2 0 243.351 -0.272 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000365559637 386162554 /nfs/dbraw/zinc/16/25/54/386162554.db2.gz VZWPRAFIKMBIDQ-AEJSXWLSSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000365559640 386162932 /nfs/dbraw/zinc/16/29/32/386162932.db2.gz VZWPRAFIKMBIDQ-GUBZILKMSA-N 2 0 227.308 -0.769 20 0 BBADRP COCC[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000366321263 386356664 /nfs/dbraw/zinc/35/66/64/386356664.db2.gz ILUYURPLIODIIH-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP COCC[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000366321286 386357128 /nfs/dbraw/zinc/35/71/28/386357128.db2.gz ILUYURPLIODIIH-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP COCC[C@]1(C(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000366345545 386376926 /nfs/dbraw/zinc/37/69/26/386376926.db2.gz BUNQDJRGVBUPTN-GFCCVEGCSA-N 2 0 241.335 -0.566 20 0 BBADRP COCC[C@@]1(C(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000366345547 386375488 /nfs/dbraw/zinc/37/54/88/386375488.db2.gz BUNQDJRGVBUPTN-LBPRGKRZSA-N 2 0 241.335 -0.566 20 0 BBADRP C[N@H+](CCNC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000366350135 172744442 /nfs/dbraw/zinc/74/44/42/172744442.db2.gz ZWDYTVYLYHAZFK-NSHDSACASA-N 2 0 229.299 -0.102 20 0 BBADRP COCC[C@]1(C(=O)NCCC[NH3+])CC[NH2+]C1 ZINC000366413587 386472425 /nfs/dbraw/zinc/47/24/25/386472425.db2.gz JVBSPIYXICFTQI-LLVKDONJSA-N 2 0 229.324 -0.532 20 0 BBADRP COCC[C@@]1(C(=O)NCCC[NH3+])CC[NH2+]C1 ZINC000366413588 386471950 /nfs/dbraw/zinc/47/19/50/386471950.db2.gz JVBSPIYXICFTQI-NSHDSACASA-N 2 0 229.324 -0.532 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366416701 182119488 /nfs/dbraw/zinc/11/94/88/182119488.db2.gz YONLCVQGHZNRJF-GXSJLCMTSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366416702 182119492 /nfs/dbraw/zinc/11/94/92/182119492.db2.gz YONLCVQGHZNRJF-KOLCDFICSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366416703 182119121 /nfs/dbraw/zinc/11/91/21/182119121.db2.gz YONLCVQGHZNRJF-MWLCHTKSSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366416705 182119019 /nfs/dbraw/zinc/11/90/19/182119019.db2.gz YONLCVQGHZNRJF-ONGXEEELSA-N 2 0 223.320 -0.051 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000366417085 170157480 /nfs/dbraw/zinc/15/74/80/170157480.db2.gz HTIOZWHWFIPZTR-HRDYMLBCSA-N 2 0 217.288 -0.199 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366418688 170158102 /nfs/dbraw/zinc/15/81/02/170158102.db2.gz OBOQLQFPIQVDRT-PSASIEDQSA-N 2 0 217.288 -0.198 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000366418689 170157422 /nfs/dbraw/zinc/15/74/22/170157422.db2.gz OBOQLQFPIQVDRT-SCZZXKLOSA-N 2 0 217.288 -0.198 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366452688 182021750 /nfs/dbraw/zinc/02/17/50/182021750.db2.gz MMVQECCNNYFJSK-REIXXSIJSA-N 2 0 241.360 -0.585 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366452691 182030292 /nfs/dbraw/zinc/03/02/92/182030292.db2.gz MMVQECCNNYFJSK-WYOJIJJFSA-N 2 0 241.360 -0.585 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000366454518 170157593 /nfs/dbraw/zinc/15/75/93/170157593.db2.gz SSPRQIXZRABSQD-KXUCPTDWSA-N 2 0 229.324 -0.523 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000366460623 170156871 /nfs/dbraw/zinc/15/68/71/170156871.db2.gz XYXKWGPGVQDESB-SNVBAGLBSA-N 2 0 243.351 -0.131 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC[NH2+]1 ZINC000366474777 386525871 /nfs/dbraw/zinc/52/58/71/386525871.db2.gz OXJZBWMVAOFFED-FYLLDIAZSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC[NH2+]1 ZINC000366474780 386527637 /nfs/dbraw/zinc/52/76/37/386527637.db2.gz OXJZBWMVAOFFED-XNDJQWLSSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366497945 386602735 /nfs/dbraw/zinc/60/27/35/386602735.db2.gz ADOVIPHJORPUAK-SVDPJWKOSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366497948 386603213 /nfs/dbraw/zinc/60/32/13/386603213.db2.gz ADOVIPHJORPUAK-UXCLJVHYSA-N 2 0 223.320 -0.290 20 0 BBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366499071 386604620 /nfs/dbraw/zinc/60/46/20/386604620.db2.gz BBOAKMNDSKSGAV-QNWHQSFQSA-N 2 0 245.326 -0.110 20 0 BBADRP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366499109 181591315 /nfs/dbraw/zinc/59/13/15/181591315.db2.gz BJXOYDISWKLCTC-LMLFDSFASA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366499110 386605062 /nfs/dbraw/zinc/60/50/62/386605062.db2.gz BJXOYDISWKLCTC-UKKRHICBSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366499111 386605009 /nfs/dbraw/zinc/60/50/09/386605009.db2.gz BJXOYDISWKLCTC-VPOLOUISSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1CC[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366499112 386605909 /nfs/dbraw/zinc/60/59/09/386605909.db2.gz BJXOYDISWKLCTC-XWLWVQCSSA-N 2 0 223.320 -0.066 20 0 BBADRP CC(C)([NH3+])CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366502027 384920362 /nfs/dbraw/zinc/92/03/62/384920362.db2.gz DXLZBJAIZXIQAN-DTWKUNHWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]CCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366530857 173343999 /nfs/dbraw/zinc/34/39/99/173343999.db2.gz RGFAAMGWGZHNPQ-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366531558 384920927 /nfs/dbraw/zinc/92/09/27/384920927.db2.gz RYTNQVKQZYEPNR-SJQPAMGKSA-N 2 0 211.309 -0.162 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366531559 384918747 /nfs/dbraw/zinc/91/87/47/384918747.db2.gz RYTNQVKQZYEPNR-UYAYMFIHSA-N 2 0 211.309 -0.162 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366540509 188253835 /nfs/dbraw/zinc/25/38/35/188253835.db2.gz ZPSLOYIOAGTXSN-RYPBNFRJSA-N 2 0 211.309 -0.306 20 0 BBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000366540669 188193004 /nfs/dbraw/zinc/19/30/04/188193004.db2.gz ZXRVJTOVQNYXND-VPOLOUISSA-N 2 0 225.336 -0.093 20 0 BBADRP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000366540670 167344711 /nfs/dbraw/zinc/34/47/11/167344711.db2.gz ZXRVJTOVQNYXND-ZDCRXTMVSA-N 2 0 225.336 -0.093 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000366552216 182229366 /nfs/dbraw/zinc/22/93/66/182229366.db2.gz CAOOFPHCZHDRKN-GUBZILKMSA-N 2 0 229.299 -0.055 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000366552219 182229874 /nfs/dbraw/zinc/22/98/74/182229874.db2.gz CAOOFPHCZHDRKN-LPEHRKFASA-N 2 0 229.299 -0.055 20 0 BBADRP [NH3+]CCCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366553225 181372344 /nfs/dbraw/zinc/37/23/44/181372344.db2.gz GNJJYHWDZGTEDH-YUMQZZPRSA-N 2 0 203.261 -0.459 20 0 BBADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000366553652 386829904 /nfs/dbraw/zinc/82/99/04/386829904.db2.gz HVTBUCUWIUDPJB-KATARQTJSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000366553653 386829753 /nfs/dbraw/zinc/82/97/53/386829753.db2.gz HVTBUCUWIUDPJB-QEYWKRMJSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000366553654 386829725 /nfs/dbraw/zinc/82/97/25/386829725.db2.gz HVTBUCUWIUDPJB-RGOKHQFPSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000366553655 386829876 /nfs/dbraw/zinc/82/98/76/386829876.db2.gz HVTBUCUWIUDPJB-XKNYDFJKSA-N 2 0 229.299 -0.070 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366553912 182345701 /nfs/dbraw/zinc/34/57/01/182345701.db2.gz ITKQDNFKAZTNKG-CFDXXZMTSA-N 2 0 235.331 -0.290 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000366554380 182229643 /nfs/dbraw/zinc/22/96/43/182229643.db2.gz JWNCAOANLQKTFE-CIUDSAMLSA-N 2 0 215.272 -0.445 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000366554381 182229053 /nfs/dbraw/zinc/22/90/53/182229053.db2.gz JWNCAOANLQKTFE-XHNCKOQMSA-N 2 0 215.272 -0.445 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366555074 491093892 /nfs/dbraw/zinc/09/38/92/491093892.db2.gz LMQFLAWUBLJADK-FXQIFTODSA-N 2 0 203.261 -0.460 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366557316 173344524 /nfs/dbraw/zinc/34/45/24/173344524.db2.gz RVEBEQRTHLRUOY-IUCAKERBSA-N 2 0 217.288 -0.198 20 0 BBADRP CC(C)([NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366558993 187228937 /nfs/dbraw/zinc/22/89/37/187228937.db2.gz XOCBMQARXBSOFK-YUMQZZPRSA-N 2 0 217.288 -0.070 20 0 BBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366559382 385603538 /nfs/dbraw/zinc/60/35/38/385603538.db2.gz YTVWIVZETBXXRY-JZYVYDRUSA-N 2 0 211.309 -0.338 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366777580 135279454 /nfs/dbraw/zinc/27/94/54/135279454.db2.gz QNWUFSIUKBIMSW-FXPVBKGRSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000366777581 135279352 /nfs/dbraw/zinc/27/93/52/135279352.db2.gz QNWUFSIUKBIMSW-KKZNHRDASA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366777582 135279156 /nfs/dbraw/zinc/27/91/56/135279156.db2.gz QNWUFSIUKBIMSW-WCABBAIRSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000366778170 135279698 /nfs/dbraw/zinc/27/96/98/135279698.db2.gz QNWUFSIUKBIMSW-YWVKMMECSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@H]1C ZINC000366785452 135311904 /nfs/dbraw/zinc/31/19/04/135311904.db2.gz CSYUJCJBBVHMRP-ATZCPNFKSA-N 2 0 229.299 -0.103 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366785453 135312379 /nfs/dbraw/zinc/31/23/79/135312379.db2.gz CSYUJCJBBVHMRP-IQJOONFLSA-N 2 0 229.299 -0.103 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000366785454 135312165 /nfs/dbraw/zinc/31/21/65/135312165.db2.gz CSYUJCJBBVHMRP-NGZCFLSTSA-N 2 0 229.299 -0.103 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@]2(F)CC[NH2+]C2)[C@H]1C ZINC000366785455 135311679 /nfs/dbraw/zinc/31/16/79/135311679.db2.gz CSYUJCJBBVHMRP-QXEWZRGKSA-N 2 0 229.299 -0.103 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000366963054 355151452 /nfs/dbraw/zinc/15/14/52/355151452.db2.gz OMGDOZQQMPEDIS-YUMQZZPRSA-N 2 0 203.261 -0.636 20 0 BBADRP C[NH2+][C@@H](C)CNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000367122320 133970959 /nfs/dbraw/zinc/97/09/59/133970959.db2.gz ZEOKLLBDKSSSDM-CMPLNLGQSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+][C@@H](C)CNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000367122321 355995476 /nfs/dbraw/zinc/99/54/76/355995476.db2.gz ZEOKLLBDKSSSDM-JQWIXIFHSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000367122322 355995120 /nfs/dbraw/zinc/99/51/20/355995120.db2.gz ZEOKLLBDKSSSDM-PWSUYJOCSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000367122323 355995574 /nfs/dbraw/zinc/99/55/74/355995574.db2.gz ZEOKLLBDKSSSDM-ZYHUDNBSSA-N 2 0 243.351 -0.273 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367182975 169764797 /nfs/dbraw/zinc/76/47/97/169764797.db2.gz ALDWDKJKRAAUEK-MNOVXSKESA-N 2 0 241.335 -0.473 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367186235 188236570 /nfs/dbraw/zinc/23/65/70/188236570.db2.gz MMNAUIUNVUVVED-MNOVXSKESA-N 2 0 241.335 -0.474 20 0 BBADRP O=C([C@H]1CCC[NH2+]C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367187381 387446767 /nfs/dbraw/zinc/44/67/67/387446767.db2.gz QKXNRKAJRHJOCU-AXFHLTTASA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1CCC[NH2+]C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367187391 182617533 /nfs/dbraw/zinc/61/75/33/182617533.db2.gz QKXNRKAJRHJOCU-MXWKQRLJSA-N 2 0 239.319 -0.815 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367187608 173373946 /nfs/dbraw/zinc/37/39/46/173373946.db2.gz RHDDVDKSEXRUSL-AEJSXWLSSA-N 2 0 227.308 -0.959 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367187609 173362585 /nfs/dbraw/zinc/36/25/85/173362585.db2.gz RHDDVDKSEXRUSL-BBBLOLIVSA-N 2 0 227.308 -0.959 20 0 BBADRP CC[C@]1(C(=O)NCC[NH2+]CCOC)CC[NH2+]C1 ZINC000367206495 387550740 /nfs/dbraw/zinc/55/07/40/387550740.db2.gz AANPGFKJQBRQCX-LBPRGKRZSA-N 2 0 243.351 -0.272 20 0 BBADRP CC(C)([NH3+])CC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367207307 187376668 /nfs/dbraw/zinc/37/66/68/187376668.db2.gz SGJDVRXWBJYISA-BDAKNGLRSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000367290500 188423483 /nfs/dbraw/zinc/42/34/83/188423483.db2.gz KORBVAGXQGQUEI-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000367290501 177395924 /nfs/dbraw/zinc/39/59/24/177395924.db2.gz KORBVAGXQGQUEI-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH2+][C@@H](C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000367347994 398249133 /nfs/dbraw/zinc/24/91/33/398249133.db2.gz CKTKLHJRYHNYSQ-BIIVOSGPSA-N 2 0 203.261 -0.590 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000367347995 398249051 /nfs/dbraw/zinc/24/90/51/398249051.db2.gz CKTKLHJRYHNYSQ-GJMOJQLCSA-N 2 0 203.261 -0.590 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000367350859 387128121 /nfs/dbraw/zinc/12/81/21/387128121.db2.gz YGWWRXPREUNANI-SSDOTTSWSA-N 2 0 237.307 -0.607 20 0 BBADRP C[NH2+][C@@H](C)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000367350860 387128788 /nfs/dbraw/zinc/12/87/88/387128788.db2.gz YGWWRXPREUNANI-ZETCQYMHSA-N 2 0 237.307 -0.607 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000367375177 173371760 /nfs/dbraw/zinc/37/17/60/173371760.db2.gz QCCTZZQLBXWEAO-GUBZILKMSA-N 2 0 229.299 -0.246 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000367375178 173371657 /nfs/dbraw/zinc/37/16/57/173371657.db2.gz QCCTZZQLBXWEAO-UTLUCORTSA-N 2 0 229.299 -0.246 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+]CCOC ZINC000367382362 173371408 /nfs/dbraw/zinc/37/14/08/173371408.db2.gz SWRUFCUVWNGDOF-UWVGGRQHSA-N 2 0 247.314 -0.619 20 0 BBADRP CC[C@]1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CCC[NH2+]1 ZINC000367475523 387715454 /nfs/dbraw/zinc/71/54/54/387715454.db2.gz CBVPPBVZGUTLTP-CKYFFXLPSA-N 2 0 241.335 -0.785 20 0 BBADRP CC[C@]1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CCC[NH2+]1 ZINC000367475524 387715873 /nfs/dbraw/zinc/71/58/73/387715873.db2.gz CBVPPBVZGUTLTP-HOSYDEDBSA-N 2 0 241.335 -0.785 20 0 BBADRP CC[C@]1(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CCC[NH2+]1 ZINC000367475525 387714456 /nfs/dbraw/zinc/71/44/56/387714456.db2.gz CBVPPBVZGUTLTP-JBLDHEPKSA-N 2 0 241.335 -0.785 20 0 BBADRP CC[C@]1(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CCC[NH2+]1 ZINC000367475526 387714805 /nfs/dbraw/zinc/71/48/05/387714805.db2.gz CBVPPBVZGUTLTP-JFGNBEQYSA-N 2 0 241.335 -0.785 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCCC[NH2+]1 ZINC000367477695 182229227 /nfs/dbraw/zinc/22/92/27/182229227.db2.gz SCIGOBPDTMRBHW-AXFHLTTASA-N 2 0 241.335 -0.785 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCCC[NH2+]1 ZINC000367477696 182229728 /nfs/dbraw/zinc/22/97/28/182229728.db2.gz SCIGOBPDTMRBHW-DCAQKATOSA-N 2 0 241.335 -0.785 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCCCC[NH2+]1 ZINC000367477697 187383893 /nfs/dbraw/zinc/38/38/93/187383893.db2.gz SCIGOBPDTMRBHW-GARJFASQSA-N 2 0 241.335 -0.785 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCCCC[NH2+]1 ZINC000367477698 187384682 /nfs/dbraw/zinc/38/46/82/187384682.db2.gz SCIGOBPDTMRBHW-HBNTYKKESA-N 2 0 241.335 -0.785 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000367497694 387715121 /nfs/dbraw/zinc/71/51/21/387715121.db2.gz MQHZNGUTDXZDNC-LMLFDSFASA-N 2 0 241.335 -0.523 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000367497695 387714628 /nfs/dbraw/zinc/71/46/28/387714628.db2.gz MQHZNGUTDXZDNC-YTWAJWBKSA-N 2 0 241.335 -0.523 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367498442 176185871 /nfs/dbraw/zinc/18/58/71/176185871.db2.gz UBSQVTIWLSDLJJ-GMTAPVOTSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367498443 176185278 /nfs/dbraw/zinc/18/52/78/176185278.db2.gz UBSQVTIWLSDLJJ-MXWKQRLJSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000367498444 176185867 /nfs/dbraw/zinc/18/58/67/176185867.db2.gz UBSQVTIWLSDLJJ-OUAUKWLOSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000367498445 176185459 /nfs/dbraw/zinc/18/54/59/176185459.db2.gz UBSQVTIWLSDLJJ-VWYCJHECSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000367514862 176248387 /nfs/dbraw/zinc/24/83/87/176248387.db2.gz VDVJFZYNWFBRSX-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000367514863 177217834 /nfs/dbraw/zinc/21/78/34/177217834.db2.gz VDVJFZYNWFBRSX-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000367514864 177217533 /nfs/dbraw/zinc/21/75/33/177217533.db2.gz VDVJFZYNWFBRSX-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[NH2+]1 ZINC000367514865 176247972 /nfs/dbraw/zinc/24/79/72/176247972.db2.gz VDVJFZYNWFBRSX-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP CCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000367534513 169193656 /nfs/dbraw/zinc/19/36/56/169193656.db2.gz WLPHDQIONMNHQT-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP CCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000367534514 169193820 /nfs/dbraw/zinc/19/38/20/169193820.db2.gz WLPHDQIONMNHQT-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000367595408 387729646 /nfs/dbraw/zinc/72/96/46/387729646.db2.gz NWTSGCAUUJEYOM-DCAQKATOSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000367595410 387729992 /nfs/dbraw/zinc/72/99/92/387729992.db2.gz NWTSGCAUUJEYOM-GARJFASQSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000367595412 387730673 /nfs/dbraw/zinc/73/06/73/387730673.db2.gz NWTSGCAUUJEYOM-OUAUKWLOSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000367595414 387729941 /nfs/dbraw/zinc/72/99/41/387729941.db2.gz NWTSGCAUUJEYOM-VWYCJHECSA-N 2 0 241.335 -0.487 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000367632149 173340140 /nfs/dbraw/zinc/34/01/40/173340140.db2.gz LXUHLTVRJYJKHQ-IUCAKERBSA-N 2 0 217.288 -0.246 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000367641529 176326025 /nfs/dbraw/zinc/32/60/25/176326025.db2.gz DKCYEGJCSBZEQO-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000367641530 177282525 /nfs/dbraw/zinc/28/25/25/177282525.db2.gz DKCYEGJCSBZEQO-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000367641531 177282453 /nfs/dbraw/zinc/28/24/53/177282453.db2.gz DKCYEGJCSBZEQO-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000367641532 176326052 /nfs/dbraw/zinc/32/60/52/176326052.db2.gz DKCYEGJCSBZEQO-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000367642754 387739670 /nfs/dbraw/zinc/73/96/70/387739670.db2.gz JZXYLFJLTGAQSL-AXFHLTTASA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000367642757 387739178 /nfs/dbraw/zinc/73/91/78/387739178.db2.gz JZXYLFJLTGAQSL-HBNTYKKESA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367642769 176458236 /nfs/dbraw/zinc/45/82/36/176458236.db2.gz KBEQYHOPVHIVCE-AXFHLTTASA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000367642770 387737876 /nfs/dbraw/zinc/73/78/76/387737876.db2.gz KBEQYHOPVHIVCE-DCAQKATOSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000367642771 387738890 /nfs/dbraw/zinc/73/88/90/387738890.db2.gz KBEQYHOPVHIVCE-GARJFASQSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367642772 387738874 /nfs/dbraw/zinc/73/88/74/387738874.db2.gz KBEQYHOPVHIVCE-HBNTYKKESA-N 2 0 241.335 -0.378 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367648740 187220733 /nfs/dbraw/zinc/22/07/33/187220733.db2.gz LQZIEIYRXHFGPQ-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000367648741 387738202 /nfs/dbraw/zinc/73/82/02/387738202.db2.gz LQZIEIYRXHFGPQ-MNOVXSKESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000367648742 387738683 /nfs/dbraw/zinc/73/86/83/387738683.db2.gz LQZIEIYRXHFGPQ-QWRGUYRKSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367648743 387738361 /nfs/dbraw/zinc/73/83/61/387738361.db2.gz LQZIEIYRXHFGPQ-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000367648961 387739565 /nfs/dbraw/zinc/73/95/65/387739565.db2.gz OHHJLPHUAYBKGV-AXFHLTTASA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367648962 387738910 /nfs/dbraw/zinc/73/89/10/387738910.db2.gz OHHJLPHUAYBKGV-GMTAPVOTSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000367648963 387737839 /nfs/dbraw/zinc/73/78/39/387737839.db2.gz OHHJLPHUAYBKGV-HBNTYKKESA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367648964 387739469 /nfs/dbraw/zinc/73/94/69/387739469.db2.gz OHHJLPHUAYBKGV-MXWKQRLJSA-N 2 0 241.335 -0.249 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000367648983 173339932 /nfs/dbraw/zinc/33/99/32/173339932.db2.gz OKFPFROURZMGFC-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000367648984 173340301 /nfs/dbraw/zinc/34/03/01/173340301.db2.gz OKFPFROURZMGFC-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000367648985 173340028 /nfs/dbraw/zinc/34/00/28/173340028.db2.gz OKFPFROURZMGFC-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000367648986 173339748 /nfs/dbraw/zinc/33/97/48/173339748.db2.gz OKFPFROURZMGFC-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000367649575 387739708 /nfs/dbraw/zinc/73/97/08/387739708.db2.gz UYZLGHYAJSARIP-GXSJLCMTSA-N 2 0 241.335 -0.297 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000367649576 387738570 /nfs/dbraw/zinc/73/85/70/387738570.db2.gz UYZLGHYAJSARIP-KOLCDFICSA-N 2 0 241.335 -0.297 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000367649577 387738027 /nfs/dbraw/zinc/73/80/27/387738027.db2.gz UYZLGHYAJSARIP-MWLCHTKSSA-N 2 0 241.335 -0.297 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000367649578 387739530 /nfs/dbraw/zinc/73/95/30/387739530.db2.gz UYZLGHYAJSARIP-ONGXEEELSA-N 2 0 241.335 -0.297 20 0 BBADRP CCC[NH2+]CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000367650211 169257960 /nfs/dbraw/zinc/25/79/60/169257960.db2.gz ZTWDDTNTZOQVDF-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP CCC[NH2+]CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367650221 169258322 /nfs/dbraw/zinc/25/83/22/169258322.db2.gz ZTWDDTNTZOQVDF-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000367651268 182021868 /nfs/dbraw/zinc/02/18/68/182021868.db2.gz PRAZKBYLBWHNTN-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000367651269 182031187 /nfs/dbraw/zinc/03/11/87/182031187.db2.gz PRAZKBYLBWHNTN-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367652108 170158016 /nfs/dbraw/zinc/15/80/16/170158016.db2.gz AHDSAJVKLWALRT-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000367709892 387746289 /nfs/dbraw/zinc/74/62/89/387746289.db2.gz VRMDFECSGDKFMU-LLVKDONJSA-N 2 0 241.335 -0.343 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000367709895 387747267 /nfs/dbraw/zinc/74/72/67/387747267.db2.gz VRMDFECSGDKFMU-NSHDSACASA-N 2 0 241.335 -0.343 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000368008812 388566947 /nfs/dbraw/zinc/56/69/47/388566947.db2.gz VDKBHJFWGOBZQR-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000368008814 177396078 /nfs/dbraw/zinc/39/60/78/177396078.db2.gz VDKBHJFWGOBZQR-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368008903 174332412 /nfs/dbraw/zinc/33/24/12/174332412.db2.gz VRWOYCKYNPVKDE-GHMZBOCLSA-N 2 0 243.351 -0.273 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368041510 182028471 /nfs/dbraw/zinc/02/84/71/182028471.db2.gz BPQXVOZNQXLTJJ-AEJSXWLSSA-N 2 0 229.299 -0.055 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368041520 182017292 /nfs/dbraw/zinc/01/72/92/182017292.db2.gz BPQXVOZNQXLTJJ-GUBZILKMSA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368042545 388567516 /nfs/dbraw/zinc/56/75/16/388567516.db2.gz FLYHKNWELOUKJC-CSMHCCOUSA-N 2 0 203.261 -0.603 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368042549 388567401 /nfs/dbraw/zinc/56/74/01/388567401.db2.gz FLYHKNWELOUKJC-FXQIFTODSA-N 2 0 203.261 -0.603 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368102481 173373879 /nfs/dbraw/zinc/37/38/79/173373879.db2.gz YVFJZWZEIXKGTP-AXFHLTTASA-N 2 0 225.336 -0.090 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368102482 173373936 /nfs/dbraw/zinc/37/39/36/173373936.db2.gz YVFJZWZEIXKGTP-DCAQKATOSA-N 2 0 225.336 -0.090 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368102483 173374393 /nfs/dbraw/zinc/37/43/93/173374393.db2.gz YVFJZWZEIXKGTP-GARJFASQSA-N 2 0 225.336 -0.090 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368102484 173373912 /nfs/dbraw/zinc/37/39/12/173373912.db2.gz YVFJZWZEIXKGTP-HBNTYKKESA-N 2 0 225.336 -0.090 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368104903 386941510 /nfs/dbraw/zinc/94/15/10/386941510.db2.gz LLUXKKVKVPRAOH-AXFHLTTASA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368104904 386941919 /nfs/dbraw/zinc/94/19/19/386941919.db2.gz LLUXKKVKVPRAOH-DCAQKATOSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368104905 386941194 /nfs/dbraw/zinc/94/11/94/386941194.db2.gz LLUXKKVKVPRAOH-MXWKQRLJSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368104906 386941838 /nfs/dbraw/zinc/94/18/38/386941838.db2.gz LLUXKKVKVPRAOH-VWYCJHECSA-N 2 0 223.320 -0.194 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368158869 386947037 /nfs/dbraw/zinc/94/70/37/386947037.db2.gz DHBMQVDBRIGZOQ-CIUDSAMLSA-N 2 0 249.355 -0.117 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368159699 182030260 /nfs/dbraw/zinc/03/02/60/182030260.db2.gz FYDGVKQNIXZMRF-GUBZILKMSA-N 2 0 245.298 -0.819 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368159702 182021699 /nfs/dbraw/zinc/02/16/99/182021699.db2.gz FYDGVKQNIXZMRF-LPEHRKFASA-N 2 0 245.298 -0.819 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)O1 ZINC000368168936 386948529 /nfs/dbraw/zinc/94/85/29/386948529.db2.gz VMGQWSUOQIKFIT-QEYWKRMJSA-N 2 0 245.298 -0.691 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368186147 173374335 /nfs/dbraw/zinc/37/43/35/173374335.db2.gz PRLCSOBCHZCTDT-CIUDSAMLSA-N 2 0 217.288 -0.342 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368186148 173363056 /nfs/dbraw/zinc/36/30/56/173363056.db2.gz PRLCSOBCHZCTDT-VGMNWLOBSA-N 2 0 217.288 -0.342 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368189037 386948255 /nfs/dbraw/zinc/94/82/55/386948255.db2.gz ZXBOMIGJTIQILE-UWVGGRQHSA-N 2 0 229.299 -0.198 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368189044 388568061 /nfs/dbraw/zinc/56/80/61/388568061.db2.gz ZYLXAZDVRSVSGR-CIUDSAMLSA-N 2 0 217.288 -0.214 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)O1 ZINC000368195431 386950064 /nfs/dbraw/zinc/95/00/64/386950064.db2.gz VZXKDFIWVHYJDX-ZDCRXTMVSA-N 2 0 239.319 -0.687 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368200898 182030710 /nfs/dbraw/zinc/03/07/10/182030710.db2.gz LBGYOGAGPGXUHR-GUBZILKMSA-N 2 0 245.298 -0.819 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368200901 182022430 /nfs/dbraw/zinc/02/24/30/182022430.db2.gz LBGYOGAGPGXUHR-LPEHRKFASA-N 2 0 245.298 -0.819 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368201308 383830652 /nfs/dbraw/zinc/83/06/52/383830652.db2.gz LOMFESPPXBDBGV-HXFLIBJXSA-N 2 0 217.288 -0.214 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368201309 388568554 /nfs/dbraw/zinc/56/85/54/388568554.db2.gz LOMFESPPXBDBGV-JBDRJPRFSA-N 2 0 217.288 -0.214 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368201310 388568666 /nfs/dbraw/zinc/56/86/66/388568666.db2.gz LOMFESPPXBDBGV-KZVJFYERSA-N 2 0 217.288 -0.214 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H](C)[NH3+] ZINC000368201311 383830854 /nfs/dbraw/zinc/83/08/54/383830854.db2.gz LOMFESPPXBDBGV-XGEHTFHBSA-N 2 0 217.288 -0.214 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000368202561 182229752 /nfs/dbraw/zinc/22/97/52/182229752.db2.gz PIFDPZISQVNYCO-CIUDSAMLSA-N 2 0 215.272 -0.588 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000368202562 182229377 /nfs/dbraw/zinc/22/93/77/182229377.db2.gz PIFDPZISQVNYCO-VGMNWLOBSA-N 2 0 215.272 -0.588 20 0 BBADRP CC[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000368359507 386965011 /nfs/dbraw/zinc/96/50/11/386965011.db2.gz BUIBJOXWDYXKHP-FYLLDIAZSA-N 2 0 223.320 -0.147 20 0 BBADRP CC[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000368359510 171197005 /nfs/dbraw/zinc/19/70/05/171197005.db2.gz BUIBJOXWDYXKHP-XNDJQWLSSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368359549 177396203 /nfs/dbraw/zinc/39/62/03/177396203.db2.gz CEAKNGLNVDJALK-APLZJWDSSA-N 2 0 223.320 -0.292 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000368363821 386965415 /nfs/dbraw/zinc/96/54/15/386965415.db2.gz UFZYWSGEHGZVCQ-APLZJWDSSA-N 2 0 223.320 -0.162 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000368363826 386965692 /nfs/dbraw/zinc/96/56/92/386965692.db2.gz UFZYWSGEHGZVCQ-OGBGREFGSA-N 2 0 223.320 -0.162 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373410 182017920 /nfs/dbraw/zinc/01/79/20/182017920.db2.gz FSTRAQLYZCUWQX-GARJFASQSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373411 182027693 /nfs/dbraw/zinc/02/76/93/182027693.db2.gz FSTRAQLYZCUWQX-HBNTYKKESA-N 2 0 223.320 -0.051 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368374138 188082163 /nfs/dbraw/zinc/08/21/63/188082163.db2.gz HUDKALSQYPAPRK-AEJSXWLSSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368375618 388567927 /nfs/dbraw/zinc/56/79/27/388567927.db2.gz JNBXMDCAMDZLJS-AATLWQCWSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368375619 388568648 /nfs/dbraw/zinc/56/86/48/388568648.db2.gz JNBXMDCAMDZLJS-DOLQZWNJSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368375620 367104935 /nfs/dbraw/zinc/10/49/35/367104935.db2.gz JNBXMDCAMDZLJS-QCLAVDOMSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)[C@H](C)[NH3+] ZINC000368375621 176763126 /nfs/dbraw/zinc/76/31/26/176763126.db2.gz JNBXMDCAMDZLJS-XFWSIPNHSA-N 2 0 211.309 -0.210 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000368376658 386967122 /nfs/dbraw/zinc/96/71/22/386967122.db2.gz HKATWFRKAKIIQG-UWVGGRQHSA-N 2 0 229.324 -0.454 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000368376659 187384897 /nfs/dbraw/zinc/38/48/97/187384897.db2.gz HKATWFRKAKIIQG-ZJUUUORDSA-N 2 0 229.324 -0.454 20 0 BBADRP C[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000368378090 386967728 /nfs/dbraw/zinc/96/77/28/386967728.db2.gz WKYBVVLZDIWMSV-CMPLNLGQSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000368378091 386966492 /nfs/dbraw/zinc/96/64/92/386966492.db2.gz WKYBVVLZDIWMSV-JQWIXIFHSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000368378092 176523029 /nfs/dbraw/zinc/52/30/29/176523029.db2.gz WKYBVVLZDIWMSV-PWSUYJOCSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000368378093 386967433 /nfs/dbraw/zinc/96/74/33/386967433.db2.gz WKYBVVLZDIWMSV-ZYHUDNBSSA-N 2 0 241.335 -0.295 20 0 BBADRP O=C(C[NH2+]CC1CC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378759 181976582 /nfs/dbraw/zinc/97/65/82/181976582.db2.gz RCSLOTKRNDAWPJ-WDEREUQCSA-N 2 0 223.320 -0.194 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378776 173362483 /nfs/dbraw/zinc/36/24/83/173362483.db2.gz RFLXVXVCAIHJKV-KXUCPTDWSA-N 2 0 211.309 -0.338 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378777 173373965 /nfs/dbraw/zinc/37/39/65/173373965.db2.gz RFLXVXVCAIHJKV-LPEHRKFASA-N 2 0 211.309 -0.338 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000368381589 386967078 /nfs/dbraw/zinc/96/70/78/386967078.db2.gz YAYNAHJTSUECLE-NEPJUHHUSA-N 2 0 249.314 -0.128 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CCO1 ZINC000368381590 386966558 /nfs/dbraw/zinc/96/65/58/386966558.db2.gz YAYNAHJTSUECLE-NWDGAFQWSA-N 2 0 249.314 -0.128 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000368381591 386966434 /nfs/dbraw/zinc/96/64/34/386966434.db2.gz YAYNAHJTSUECLE-RYUDHWBXSA-N 2 0 249.314 -0.128 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CCO1 ZINC000368381592 386967010 /nfs/dbraw/zinc/96/70/10/386967010.db2.gz YAYNAHJTSUECLE-VXGBXAGGSA-N 2 0 249.314 -0.128 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368381887 388568044 /nfs/dbraw/zinc/56/80/44/388568044.db2.gz YSUSNLRZFNIJJY-IVZWLZJFSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368381888 388568349 /nfs/dbraw/zinc/56/83/49/388568349.db2.gz YSUSNLRZFNIJJY-LPEHRKFASA-N 2 0 209.293 -0.584 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368383632 386967793 /nfs/dbraw/zinc/96/77/93/386967793.db2.gz FHXPRNCEKTVPRC-LNFKQOIKSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368383633 386967562 /nfs/dbraw/zinc/96/75/62/386967562.db2.gz FHXPRNCEKTVPRC-UKKRHICBSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368383634 386966482 /nfs/dbraw/zinc/96/64/82/386966482.db2.gz FHXPRNCEKTVPRC-XWLWVQCSSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368383635 386967394 /nfs/dbraw/zinc/96/73/94/386967394.db2.gz FHXPRNCEKTVPRC-ZRUFSTJUSA-N 2 0 223.320 -0.066 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000368384501 182290672 /nfs/dbraw/zinc/29/06/72/182290672.db2.gz JITXZVHOTASAJS-NXEZZACHSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000368384502 182326235 /nfs/dbraw/zinc/32/62/35/182326235.db2.gz JITXZVHOTASAJS-UWVGGRQHSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000368384503 182289538 /nfs/dbraw/zinc/28/95/38/182289538.db2.gz JITXZVHOTASAJS-VHSXEESVSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000368384504 182325905 /nfs/dbraw/zinc/32/59/05/182325905.db2.gz JITXZVHOTASAJS-ZJUUUORDSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C([C@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368384709 386967422 /nfs/dbraw/zinc/96/74/22/386967422.db2.gz KDLVUQOSWIQDDF-GARJFASQSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368384710 182617762 /nfs/dbraw/zinc/61/77/62/182617762.db2.gz KDLVUQOSWIQDDF-HBNTYKKESA-N 2 0 223.320 -0.194 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368384845 169388459 /nfs/dbraw/zinc/38/84/59/169388459.db2.gz KODSQTRFQOETKJ-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368384846 388568338 /nfs/dbraw/zinc/56/83/38/388568338.db2.gz KODSQTRFQOETKJ-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368385628 174330966 /nfs/dbraw/zinc/33/09/66/174330966.db2.gz PJINMTNNTACYEA-VHSXEESVSA-N 2 0 227.308 -0.957 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368385934 388568140 /nfs/dbraw/zinc/56/81/40/388568140.db2.gz SBCMKTQBPGEWDQ-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368385935 388568211 /nfs/dbraw/zinc/56/82/11/388568211.db2.gz SBCMKTQBPGEWDQ-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368385936 388568481 /nfs/dbraw/zinc/56/84/81/388568481.db2.gz SBCMKTQBPGEWDQ-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368385937 388568439 /nfs/dbraw/zinc/56/84/39/388568439.db2.gz SBCMKTQBPGEWDQ-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368387994 386969459 /nfs/dbraw/zinc/96/94/59/386969459.db2.gz OGYFAXZAFDQHBW-AXFHLTTASA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368387995 386969679 /nfs/dbraw/zinc/96/96/79/386969679.db2.gz OGYFAXZAFDQHBW-DCAQKATOSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368387996 386970162 /nfs/dbraw/zinc/97/01/62/386970162.db2.gz OGYFAXZAFDQHBW-MXWKQRLJSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368387997 182616646 /nfs/dbraw/zinc/61/66/46/182616646.db2.gz OGYFAXZAFDQHBW-VWYCJHECSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000368413252 386972136 /nfs/dbraw/zinc/97/21/36/386972136.db2.gz QFBBCHCFTOOGOM-GARJFASQSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000368413254 386972038 /nfs/dbraw/zinc/97/20/38/386972038.db2.gz QFBBCHCFTOOGOM-GMTAPVOTSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000368413255 386971802 /nfs/dbraw/zinc/97/18/02/386971802.db2.gz QFBBCHCFTOOGOM-HBNTYKKESA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000368413256 386972092 /nfs/dbraw/zinc/97/20/92/386972092.db2.gz QFBBCHCFTOOGOM-OUAUKWLOSA-N 2 0 241.335 -0.310 20 0 BBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000368420588 172334691 /nfs/dbraw/zinc/33/46/91/172334691.db2.gz VUKDKJPTAFEVKD-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000368420589 172328634 /nfs/dbraw/zinc/32/86/34/172328634.db2.gz VUKDKJPTAFEVKD-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]CC1 ZINC000368420590 172328704 /nfs/dbraw/zinc/32/87/04/172328704.db2.gz VUKDKJPTAFEVKD-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]CC1 ZINC000368420591 172334570 /nfs/dbraw/zinc/33/45/70/172334570.db2.gz VUKDKJPTAFEVKD-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000368424228 386972027 /nfs/dbraw/zinc/97/20/27/386972027.db2.gz IBHHDECHHXVMDY-GARJFASQSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000368424229 386972009 /nfs/dbraw/zinc/97/20/09/386972009.db2.gz IBHHDECHHXVMDY-GMTAPVOTSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000368424230 386971298 /nfs/dbraw/zinc/97/12/98/386971298.db2.gz IBHHDECHHXVMDY-HBNTYKKESA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000368424231 175810408 /nfs/dbraw/zinc/81/04/08/175810408.db2.gz IBHHDECHHXVMDY-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP COCC[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000368450330 386974533 /nfs/dbraw/zinc/97/45/33/386974533.db2.gz ILUYURPLIODIIH-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP COCC[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000368450331 386973709 /nfs/dbraw/zinc/97/37/09/386973709.db2.gz ILUYURPLIODIIH-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000368453564 169001935 /nfs/dbraw/zinc/00/19/35/169001935.db2.gz KXPBXHYGYHMUIW-BBBLOLIVSA-N 2 0 229.324 -0.657 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000368453566 169001979 /nfs/dbraw/zinc/00/19/79/169001979.db2.gz KXPBXHYGYHMUIW-KXUCPTDWSA-N 2 0 229.324 -0.657 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000368453567 169002036 /nfs/dbraw/zinc/00/20/36/169002036.db2.gz KXPBXHYGYHMUIW-UTLUCORTSA-N 2 0 229.324 -0.657 20 0 BBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000368457342 386975341 /nfs/dbraw/zinc/97/53/41/386975341.db2.gz IPZPHLPPDWYFHL-LLVKDONJSA-N 2 0 243.351 -0.227 20 0 BBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000368457349 386976718 /nfs/dbraw/zinc/97/67/18/386976718.db2.gz IPZPHLPPDWYFHL-NSHDSACASA-N 2 0 243.351 -0.227 20 0 BBADRP COCC[C@]1(C(=O)N[C@@H](C)C[NH3+])CC[NH2+]C1 ZINC000368462737 386975491 /nfs/dbraw/zinc/97/54/91/386975491.db2.gz PUNMIUUJALAZLP-GXSJLCMTSA-N 2 0 229.324 -0.534 20 0 BBADRP COCC[C@@]1(C(=O)N[C@@H](C)C[NH3+])CC[NH2+]C1 ZINC000368462738 174401260 /nfs/dbraw/zinc/40/12/60/174401260.db2.gz PUNMIUUJALAZLP-ONGXEEELSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368480391 386978954 /nfs/dbraw/zinc/97/89/54/386978954.db2.gz AXEINSDOCIYVJX-JLIMGVALSA-N 2 0 227.308 -0.831 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368480392 386979826 /nfs/dbraw/zinc/97/98/26/386979826.db2.gz AXEINSDOCIYVJX-KYXWUPHJSA-N 2 0 227.308 -0.831 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368480393 386979380 /nfs/dbraw/zinc/97/93/80/386979380.db2.gz AXEINSDOCIYVJX-QEYWKRMJSA-N 2 0 227.308 -0.831 20 0 BBADRP C[C@@H](C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21)[C@H](C)[NH3+] ZINC000368480394 386979542 /nfs/dbraw/zinc/97/95/42/386979542.db2.gz AXEINSDOCIYVJX-RGOKHQFPSA-N 2 0 227.308 -0.831 20 0 BBADRP CCC[C@H]([NH3+])C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368484123 386979587 /nfs/dbraw/zinc/97/95/87/386979587.db2.gz RBJRRPWQUIMINM-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368484124 169388159 /nfs/dbraw/zinc/38/81/59/169388159.db2.gz RBJRRPWQUIMINM-BBBLOLIVSA-N 2 0 227.308 -0.687 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)[NH3+] ZINC000368493684 173371744 /nfs/dbraw/zinc/37/17/44/173371744.db2.gz CFCHNPOKYYBSBQ-CSMHCCOUSA-N 2 0 203.261 -0.508 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)[NH3+] ZINC000368493685 173371921 /nfs/dbraw/zinc/37/19/21/173371921.db2.gz CFCHNPOKYYBSBQ-FXQIFTODSA-N 2 0 203.261 -0.508 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000368496501 388568837 /nfs/dbraw/zinc/56/88/37/388568837.db2.gz OZKLUMHFNXBRGM-CIUDSAMLSA-N 2 0 217.288 -0.118 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCC[NH3+] ZINC000368497929 173371754 /nfs/dbraw/zinc/37/17/54/173371754.db2.gz CIFHHFHBSZZBNC-IUCAKERBSA-N 2 0 217.288 -0.116 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000368503463 388569689 /nfs/dbraw/zinc/56/96/89/388569689.db2.gz LGYPQKZZDZXTNN-BBBLOLIVSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368503464 388568877 /nfs/dbraw/zinc/56/88/77/388568877.db2.gz LGYPQKZZDZXTNN-KXUCPTDWSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368503465 388569533 /nfs/dbraw/zinc/56/95/33/388569533.db2.gz LGYPQKZZDZXTNN-OPRDCNLKSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000368503466 388569718 /nfs/dbraw/zinc/56/97/18/388569718.db2.gz LGYPQKZZDZXTNN-UTLUCORTSA-N 2 0 211.309 -0.114 20 0 BBADRP COCC[C@]1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]C1 ZINC000368557382 386986012 /nfs/dbraw/zinc/98/60/12/386986012.db2.gz PWIMYFVEBMZPNO-GFCCVEGCSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[C@@]1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]C1 ZINC000368557385 174401348 /nfs/dbraw/zinc/40/13/48/174401348.db2.gz PWIMYFVEBMZPNO-LBPRGKRZSA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@](C[NH3+])(NC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000368595759 386990764 /nfs/dbraw/zinc/99/07/64/386990764.db2.gz AFICPMZWKFPQOA-CMPLNLGQSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000368595760 176508898 /nfs/dbraw/zinc/50/88/98/176508898.db2.gz AFICPMZWKFPQOA-JQWIXIFHSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000368595761 386991660 /nfs/dbraw/zinc/99/16/60/386991660.db2.gz AFICPMZWKFPQOA-PWSUYJOCSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@](C[NH3+])(NC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000368595762 386992606 /nfs/dbraw/zinc/99/26/06/386992606.db2.gz AFICPMZWKFPQOA-ZYHUDNBSSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]CC1(NC(=O)C[C@H]2COCC[NH2+]2)CCCC1 ZINC000368596713 181360079 /nfs/dbraw/zinc/36/00/79/181360079.db2.gz FIPSAKUPZXLYQG-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]CC1(NC(=O)C[C@@H]2COCC[NH2+]2)CCCC1 ZINC000368596714 181360091 /nfs/dbraw/zinc/36/00/91/181360091.db2.gz FIPSAKUPZXLYQG-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP COCC[C@]1(C(=O)NCC[NH+](C)C)CC[NH2+]C1 ZINC000368597713 386990782 /nfs/dbraw/zinc/99/07/82/386990782.db2.gz KEYKXJLJDRVIRD-GFCCVEGCSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[C@@]1(C(=O)NCC[NH+](C)C)CC[NH2+]C1 ZINC000368597714 386991700 /nfs/dbraw/zinc/99/17/00/386991700.db2.gz KEYKXJLJDRVIRD-LBPRGKRZSA-N 2 0 243.351 -0.320 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368598479 386992731 /nfs/dbraw/zinc/99/27/31/386992731.db2.gz OPBJLRXZNFCXCM-AXFHLTTASA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000368598480 386992203 /nfs/dbraw/zinc/99/22/03/386992203.db2.gz OPBJLRXZNFCXCM-DCAQKATOSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000368598481 386991299 /nfs/dbraw/zinc/99/12/99/386991299.db2.gz OPBJLRXZNFCXCM-GARJFASQSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368598482 386991313 /nfs/dbraw/zinc/99/13/13/386991313.db2.gz OPBJLRXZNFCXCM-HBNTYKKESA-N 2 0 241.335 -0.392 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000368598618 388569679 /nfs/dbraw/zinc/56/96/79/388569679.db2.gz QFZOTSHMKQMLGQ-SECBINFHSA-N 2 0 203.261 -0.634 20 0 BBADRP C[NH+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000368598619 172460864 /nfs/dbraw/zinc/46/08/64/172460864.db2.gz QFZOTSHMKQMLGQ-VIFPVBQESA-N 2 0 203.261 -0.634 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000368599029 168323791 /nfs/dbraw/zinc/32/37/91/168323791.db2.gz VABMOCXWOHOUKU-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368599030 168324679 /nfs/dbraw/zinc/32/46/79/168324679.db2.gz VABMOCXWOHOUKU-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000368599275 173379675 /nfs/dbraw/zinc/37/96/75/173379675.db2.gz XTFKJUPUCSLCMV-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000368599276 173369143 /nfs/dbraw/zinc/36/91/43/173369143.db2.gz XTFKJUPUCSLCMV-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000368599277 173368994 /nfs/dbraw/zinc/36/89/94/173368994.db2.gz XTFKJUPUCSLCMV-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000368599278 173380283 /nfs/dbraw/zinc/38/02/83/173380283.db2.gz XTFKJUPUCSLCMV-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]1COCC[NH2+]1 ZINC000368599447 386991933 /nfs/dbraw/zinc/99/19/33/386991933.db2.gz ZUQDYYPLWDOAJN-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC000368599448 386992741 /nfs/dbraw/zinc/99/27/41/386992741.db2.gz ZUQDYYPLWDOAJN-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000368599452 187221340 /nfs/dbraw/zinc/22/13/40/187221340.db2.gz ZWJZKWBMAXWSAX-CMPLNLGQSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000368599453 167522250 /nfs/dbraw/zinc/52/22/50/167522250.db2.gz ZWJZKWBMAXWSAX-JQWIXIFHSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368599454 386992389 /nfs/dbraw/zinc/99/23/89/386992389.db2.gz ZWJZKWBMAXWSAX-PWSUYJOCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368599455 386991757 /nfs/dbraw/zinc/99/17/57/386991757.db2.gz ZWJZKWBMAXWSAX-ZYHUDNBSSA-N 2 0 243.351 -0.146 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)C[NH3+] ZINC000368600193 173372002 /nfs/dbraw/zinc/37/20/02/173372002.db2.gz AZGWWIHIRULMSN-CIUDSAMLSA-N 2 0 217.288 -0.260 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)C[NH3+] ZINC000368600194 173372060 /nfs/dbraw/zinc/37/20/60/173372060.db2.gz AZGWWIHIRULMSN-VGMNWLOBSA-N 2 0 217.288 -0.260 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1C[NH2+]C1 ZINC000368601734 173371441 /nfs/dbraw/zinc/37/14/41/173371441.db2.gz HECBQWSIMDLNFT-IUCAKERBSA-N 2 0 215.272 -0.636 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368603170 169002211 /nfs/dbraw/zinc/00/22/11/169002211.db2.gz MCTFCEOEVKHMAU-GHMZBOCLSA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000368603171 169002627 /nfs/dbraw/zinc/00/26/27/169002627.db2.gz MCTFCEOEVKHMAU-MNOVXSKESA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000368603172 356974494 /nfs/dbraw/zinc/97/44/94/356974494.db2.gz MCTFCEOEVKHMAU-QWRGUYRKSA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000368603173 356974450 /nfs/dbraw/zinc/97/44/50/356974450.db2.gz MCTFCEOEVKHMAU-WDEREUQCSA-N 2 0 243.351 -0.001 20 0 BBADRP O=C(C[NH2+]CC1CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368640837 388569932 /nfs/dbraw/zinc/56/99/32/388569932.db2.gz FHWCEIHZNOQUFM-JZYVYDRUSA-N 2 0 209.293 -0.680 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368642554 388569947 /nfs/dbraw/zinc/56/99/47/388569947.db2.gz KPHDNBMINFETPA-CSMHCCOUSA-N 2 0 203.261 -0.460 20 0 BBADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368642562 388570081 /nfs/dbraw/zinc/57/00/81/388570081.db2.gz KPHDNBMINFETPA-FXQIFTODSA-N 2 0 203.261 -0.460 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368644301 174331728 /nfs/dbraw/zinc/33/17/28/174331728.db2.gz CRLHWXIWBDDJND-IUCAKERBSA-N 2 0 233.287 -0.961 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)C1C[NH2+]C1 ZINC000368645518 182289692 /nfs/dbraw/zinc/28/96/92/182289692.db2.gz GGYQYCCEMPGBLJ-SECBINFHSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)C1C[NH2+]C1 ZINC000368645519 182325858 /nfs/dbraw/zinc/32/58/58/182325858.db2.gz GGYQYCCEMPGBLJ-VIFPVBQESA-N 2 0 209.293 -0.536 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368646341 388569935 /nfs/dbraw/zinc/56/99/35/388569935.db2.gz JCPOMZVEIAWAHC-IVZWLZJFSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368646342 388570049 /nfs/dbraw/zinc/57/00/49/388570049.db2.gz JCPOMZVEIAWAHC-LPEHRKFASA-N 2 0 209.293 -0.441 20 0 BBADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368647624 386997280 /nfs/dbraw/zinc/99/72/80/386997280.db2.gz NTVMUSXWKBQCHC-GARJFASQSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368647625 386997307 /nfs/dbraw/zinc/99/73/07/386997307.db2.gz NTVMUSXWKBQCHC-HBNTYKKESA-N 2 0 223.320 -0.051 20 0 BBADRP C[NH2+]CCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368648043 173341033 /nfs/dbraw/zinc/34/10/33/173341033.db2.gz QGRWALCSIFMMIC-YUMQZZPRSA-N 2 0 203.261 -0.588 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368648855 388569972 /nfs/dbraw/zinc/56/99/72/388569972.db2.gz YBFDWKWYMLVFLG-CIUDSAMLSA-N 2 0 217.288 -0.070 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368648856 169389482 /nfs/dbraw/zinc/38/94/82/169389482.db2.gz YBFDWKWYMLVFLG-XHNCKOQMSA-N 2 0 217.288 -0.070 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368649016 387000509 /nfs/dbraw/zinc/00/05/09/387000509.db2.gz ZIGLDZKTESBTLQ-AATLWQCWSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368649017 387000008 /nfs/dbraw/zinc/00/00/08/387000008.db2.gz ZIGLDZKTESBTLQ-AXTSPUMRSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+][C@H]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368649018 386999771 /nfs/dbraw/zinc/99/97/71/386999771.db2.gz ZIGLDZKTESBTLQ-QEYWKRMJSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368649019 386999679 /nfs/dbraw/zinc/99/96/79/386999679.db2.gz ZIGLDZKTESBTLQ-XKNYDFJKSA-N 2 0 229.299 -0.070 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCCCC[NH2+]1 ZINC000368749307 182304017 /nfs/dbraw/zinc/30/40/17/182304017.db2.gz CJTOUVOLGMEOQR-NXEZZACHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCCC[NH2+]1 ZINC000368749308 182336100 /nfs/dbraw/zinc/33/61/00/182336100.db2.gz CJTOUVOLGMEOQR-UWVGGRQHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCCC[NH2+]1 ZINC000368749309 182336314 /nfs/dbraw/zinc/33/63/14/182336314.db2.gz CJTOUVOLGMEOQR-VHSXEESVSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCCCC[NH2+]1 ZINC000368749310 182304429 /nfs/dbraw/zinc/30/44/29/182304429.db2.gz CJTOUVOLGMEOQR-ZJUUUORDSA-N 2 0 211.309 -0.003 20 0 BBADRP OCC[N@@H+]1CCC2(C1)CC[NH+](CCO)CC2 ZINC000368768058 183072237 /nfs/dbraw/zinc/07/22/37/183072237.db2.gz YBVAEYFUPNWCFA-UHFFFAOYSA-N 2 0 228.336 -0.241 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000368815687 177175057 /nfs/dbraw/zinc/17/50/57/177175057.db2.gz GAQXQVCALGPELK-IVZWLZJFSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000368815688 176185131 /nfs/dbraw/zinc/18/51/31/176185131.db2.gz GAQXQVCALGPELK-KXUCPTDWSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000368815689 177174195 /nfs/dbraw/zinc/17/41/95/177174195.db2.gz GAQXQVCALGPELK-LPEHRKFASA-N 2 0 227.308 -0.911 20 0 BBADRP Cn1cncc1CN1CCN2CCOC[C@H]2C1 ZINC000368827008 387016152 /nfs/dbraw/zinc/01/61/52/387016152.db2.gz UKZVWAQYAVEPNT-GFCCVEGCSA-N 2 0 236.319 -0.064 20 0 BBADRP Cn1cncc1CN1CCN2CCOC[C@@H]2C1 ZINC000368827009 387014231 /nfs/dbraw/zinc/01/42/31/387014231.db2.gz UKZVWAQYAVEPNT-LBPRGKRZSA-N 2 0 236.319 -0.064 20 0 BBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000368896342 387020424 /nfs/dbraw/zinc/02/04/24/387020424.db2.gz MPVRLQHBZVIHCF-ZRUFSTJUSA-N 2 0 239.319 -0.938 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000368988602 356981132 /nfs/dbraw/zinc/98/11/32/356981132.db2.gz ASEMRJAIODUTJP-GMTAPVOTSA-N 2 0 241.335 -0.690 20 0 BBADRP C[C@@H]([NH3+])CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000369884913 387074257 /nfs/dbraw/zinc/07/42/57/387074257.db2.gz UJHJOFIMPXYKJO-SSDOTTSWSA-N 2 0 237.307 -0.478 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000369884914 387075466 /nfs/dbraw/zinc/07/54/66/387075466.db2.gz UJHJOFIMPXYKJO-ZETCQYMHSA-N 2 0 237.307 -0.478 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000370209833 357007686 /nfs/dbraw/zinc/00/76/86/357007686.db2.gz KXPBXHYGYHMUIW-LPEHRKFASA-N 2 0 229.324 -0.657 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000370211346 387096461 /nfs/dbraw/zinc/09/64/61/387096461.db2.gz WWQUJMDTHVXFHM-DTWKUNHWSA-N 2 0 229.324 -0.657 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[NH2+]CCO1 ZINC000370543558 172625160 /nfs/dbraw/zinc/62/51/60/172625160.db2.gz IEVWLUUIDZKXFS-VIFPVBQESA-N 2 0 229.324 -0.582 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000370710397 182119469 /nfs/dbraw/zinc/11/94/69/182119469.db2.gz YKYAZHBLAGMQSF-GDPRMGEGSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000370710398 182119546 /nfs/dbraw/zinc/11/95/46/182119546.db2.gz YKYAZHBLAGMQSF-IEBDPFPHSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000370710399 182119338 /nfs/dbraw/zinc/11/93/38/182119338.db2.gz YKYAZHBLAGMQSF-LSJOCFKGSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(NC1C[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000370710400 182119510 /nfs/dbraw/zinc/11/95/10/182119510.db2.gz YKYAZHBLAGMQSF-MIMYLULJSA-N 2 0 223.320 -0.005 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370768352 174276554 /nfs/dbraw/zinc/27/65/54/174276554.db2.gz ZZQQDOZDFAUDSO-LLVKDONJSA-N 2 0 247.314 -0.618 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370768353 174277271 /nfs/dbraw/zinc/27/72/71/174277271.db2.gz ZZQQDOZDFAUDSO-NSHDSACASA-N 2 0 247.314 -0.618 20 0 BBADRP [NH3+]CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773534 181350034 /nfs/dbraw/zinc/35/00/34/181350034.db2.gz ONJQDIJNERAWNE-AXFHLTTASA-N 2 0 223.320 -0.112 20 0 BBADRP [NH3+]CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773535 181350515 /nfs/dbraw/zinc/35/05/15/181350515.db2.gz ONJQDIJNERAWNE-DCAQKATOSA-N 2 0 223.320 -0.112 20 0 BBADRP [NH3+]CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773536 181349456 /nfs/dbraw/zinc/34/94/56/181349456.db2.gz ONJQDIJNERAWNE-GARJFASQSA-N 2 0 223.320 -0.112 20 0 BBADRP [NH3+]CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773537 181350737 /nfs/dbraw/zinc/35/07/37/181350737.db2.gz ONJQDIJNERAWNE-HBNTYKKESA-N 2 0 223.320 -0.112 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370783516 384852408 /nfs/dbraw/zinc/85/24/08/384852408.db2.gz ZBVRLMFZMWZYFB-JTQLQIEISA-N 2 0 217.288 -0.244 20 0 BBADRP CC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370783519 384853273 /nfs/dbraw/zinc/85/32/73/384853273.db2.gz ZBVRLMFZMWZYFB-SNVBAGLBSA-N 2 0 217.288 -0.244 20 0 BBADRP [NH3+]CCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000371285609 181380666 /nfs/dbraw/zinc/38/06/66/181380666.db2.gz VBGQZEWYBQSWSX-UHFFFAOYSA-N 2 0 233.315 -0.052 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000371312078 174333127 /nfs/dbraw/zinc/33/31/27/174333127.db2.gz AHWBSHINQQVDHU-JTQLQIEISA-N 2 0 233.287 -0.960 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000371312081 174332063 /nfs/dbraw/zinc/33/20/63/174332063.db2.gz AHWBSHINQQVDHU-SNVBAGLBSA-N 2 0 233.287 -0.960 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371375631 387200436 /nfs/dbraw/zinc/20/04/36/387200436.db2.gz OTWMCLFXUQXSLH-LLVKDONJSA-N 2 0 240.351 -0.946 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371375632 387198011 /nfs/dbraw/zinc/19/80/11/387198011.db2.gz OTWMCLFXUQXSLH-NSHDSACASA-N 2 0 240.351 -0.946 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000371411250 173351900 /nfs/dbraw/zinc/35/19/00/173351900.db2.gz MURCELTUEJZESU-GFCCVEGCSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000371411263 173352415 /nfs/dbraw/zinc/35/24/15/173352415.db2.gz MURCELTUEJZESU-LBPRGKRZSA-N 2 0 243.351 -0.320 20 0 BBADRP [NH3+]CCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000372022862 181393444 /nfs/dbraw/zinc/39/34/44/181393444.db2.gz AGHFFDZIJSMWPJ-UHFFFAOYSA-N 2 0 219.288 -0.442 20 0 BBADRP COCC[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000372027366 387264693 /nfs/dbraw/zinc/26/46/93/387264693.db2.gz WZUYKLCTFVVHEQ-CMPLNLGQSA-N 2 0 241.335 -0.519 20 0 BBADRP COCC[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000372027367 174401228 /nfs/dbraw/zinc/40/12/28/174401228.db2.gz WZUYKLCTFVVHEQ-JQWIXIFHSA-N 2 0 241.335 -0.519 20 0 BBADRP COCC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000372027368 387264675 /nfs/dbraw/zinc/26/46/75/387264675.db2.gz WZUYKLCTFVVHEQ-PWSUYJOCSA-N 2 0 241.335 -0.519 20 0 BBADRP COCC[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000372027369 387265010 /nfs/dbraw/zinc/26/50/10/387265010.db2.gz WZUYKLCTFVVHEQ-ZYHUDNBSSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCCCC1 ZINC000372029107 181330935 /nfs/dbraw/zinc/33/09/35/181330935.db2.gz WNPMLYKXVWLVQS-UWVGGRQHSA-N 2 0 241.335 -0.513 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCCCC1 ZINC000372029108 181330676 /nfs/dbraw/zinc/33/06/76/181330676.db2.gz WNPMLYKXVWLVQS-ZJUUUORDSA-N 2 0 241.335 -0.513 20 0 BBADRP [NH3+]CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372097815 181366547 /nfs/dbraw/zinc/36/65/47/181366547.db2.gz CXTIFTXRXDLSAU-GHMZBOCLSA-N 2 0 241.335 -0.607 20 0 BBADRP [NH3+]CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372097816 181366489 /nfs/dbraw/zinc/36/64/89/181366489.db2.gz CXTIFTXRXDLSAU-MNOVXSKESA-N 2 0 241.335 -0.607 20 0 BBADRP [NH3+]CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372097817 181367046 /nfs/dbraw/zinc/36/70/46/181367046.db2.gz CXTIFTXRXDLSAU-QWRGUYRKSA-N 2 0 241.335 -0.607 20 0 BBADRP [NH3+]CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372097818 181366340 /nfs/dbraw/zinc/36/63/40/181366340.db2.gz CXTIFTXRXDLSAU-WDEREUQCSA-N 2 0 241.335 -0.607 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372097871 387272037 /nfs/dbraw/zinc/27/20/37/387272037.db2.gz DLUQRMDTGSVJOY-AXFHLTTASA-N 2 0 241.335 -0.609 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372097872 387271100 /nfs/dbraw/zinc/27/11/00/387271100.db2.gz DLUQRMDTGSVJOY-DCAQKATOSA-N 2 0 241.335 -0.609 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372097873 387271235 /nfs/dbraw/zinc/27/12/35/387271235.db2.gz DLUQRMDTGSVJOY-GARJFASQSA-N 2 0 241.335 -0.609 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372097874 387271887 /nfs/dbraw/zinc/27/18/87/387271887.db2.gz DLUQRMDTGSVJOY-GMTAPVOTSA-N 2 0 241.335 -0.609 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372097875 387271137 /nfs/dbraw/zinc/27/11/37/387271137.db2.gz DLUQRMDTGSVJOY-HBNTYKKESA-N 2 0 241.335 -0.609 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372097876 387271427 /nfs/dbraw/zinc/27/14/27/387271427.db2.gz DLUQRMDTGSVJOY-MXWKQRLJSA-N 2 0 241.335 -0.609 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372097877 387270712 /nfs/dbraw/zinc/27/07/12/387270712.db2.gz DLUQRMDTGSVJOY-OUAUKWLOSA-N 2 0 241.335 -0.609 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372097878 387270791 /nfs/dbraw/zinc/27/07/91/387270791.db2.gz DLUQRMDTGSVJOY-VWYCJHECSA-N 2 0 241.335 -0.609 20 0 BBADRP C[C@](C[NH3+])(NC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000372118269 387273034 /nfs/dbraw/zinc/27/30/34/387273034.db2.gz FLNLPLMZDYECIH-GHMZBOCLSA-N 2 0 229.299 -0.068 20 0 BBADRP C[C@](C[NH3+])(NC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000372118270 387272777 /nfs/dbraw/zinc/27/27/77/387272777.db2.gz FLNLPLMZDYECIH-MNOVXSKESA-N 2 0 229.299 -0.068 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000372118271 387273636 /nfs/dbraw/zinc/27/36/36/387273636.db2.gz FLNLPLMZDYECIH-QWRGUYRKSA-N 2 0 229.299 -0.068 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000372118272 387274015 /nfs/dbraw/zinc/27/40/15/387274015.db2.gz FLNLPLMZDYECIH-WDEREUQCSA-N 2 0 229.299 -0.068 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000372119280 387274213 /nfs/dbraw/zinc/27/42/13/387274213.db2.gz YUXIQLWADXHABN-AXFHLTTASA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000372119281 182621076 /nfs/dbraw/zinc/62/10/76/182621076.db2.gz YUXIQLWADXHABN-MXWKQRLJSA-N 2 0 223.320 -0.051 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000372120635 387273060 /nfs/dbraw/zinc/27/30/60/387273060.db2.gz DBJNOFWOZFDYKV-JTQLQIEISA-N 2 0 217.288 -0.244 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000372120637 387273005 /nfs/dbraw/zinc/27/30/05/387273005.db2.gz DBJNOFWOZFDYKV-SNVBAGLBSA-N 2 0 217.288 -0.244 20 0 BBADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C[C@H]1CO ZINC000372124908 173052254 /nfs/dbraw/zinc/05/22/54/173052254.db2.gz WPEVFRWODQXXJN-SDDRHHMPSA-N 2 0 228.336 -0.102 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000372411367 176186258 /nfs/dbraw/zinc/18/62/58/176186258.db2.gz GAQXQVCALGPELK-BBBLOLIVSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000372411368 176185667 /nfs/dbraw/zinc/18/56/67/176185667.db2.gz GAQXQVCALGPELK-UTLUCORTSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372430260 383893132 /nfs/dbraw/zinc/89/31/32/383893132.db2.gz ZFIGCSGUZMBOEV-ATZCPNFKSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372430261 176759177 /nfs/dbraw/zinc/75/91/77/176759177.db2.gz ZFIGCSGUZMBOEV-IQJOONFLSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372430262 384512515 /nfs/dbraw/zinc/51/25/15/384512515.db2.gz ZFIGCSGUZMBOEV-NGZCFLSTSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372430263 384512216 /nfs/dbraw/zinc/51/22/16/384512216.db2.gz ZFIGCSGUZMBOEV-QXEWZRGKSA-N 2 0 211.309 -0.161 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372430962 182188516 /nfs/dbraw/zinc/18/85/16/182188516.db2.gz JEBALRWTWRLXGT-CMPLNLGQSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372430963 182189286 /nfs/dbraw/zinc/18/92/86/182189286.db2.gz JEBALRWTWRLXGT-JQWIXIFHSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372430964 182188788 /nfs/dbraw/zinc/18/87/88/182188788.db2.gz JEBALRWTWRLXGT-PWSUYJOCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372430965 182188262 /nfs/dbraw/zinc/18/82/62/182188262.db2.gz JEBALRWTWRLXGT-ZYHUDNBSSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372432632 188075268 /nfs/dbraw/zinc/07/52/68/188075268.db2.gz WPUJDZCRFYKKMF-HOSYDEDBSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372432633 387300785 /nfs/dbraw/zinc/30/07/85/387300785.db2.gz WPUJDZCRFYKKMF-JBLDHEPKSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372432634 387300294 /nfs/dbraw/zinc/30/02/94/387300294.db2.gz WPUJDZCRFYKKMF-NHCYSSNCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372432635 188249881 /nfs/dbraw/zinc/24/98/81/188249881.db2.gz WPUJDZCRFYKKMF-UMNHJUIQSA-N 2 0 223.320 -0.146 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000372477382 171393891 /nfs/dbraw/zinc/39/38/91/171393891.db2.gz DVIVTJVAXXJQCI-AEJSXWLSSA-N 2 0 229.324 -0.454 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000372477383 171394531 /nfs/dbraw/zinc/39/45/31/171394531.db2.gz DVIVTJVAXXJQCI-GUBZILKMSA-N 2 0 229.324 -0.454 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000372568401 177224461 /nfs/dbraw/zinc/22/44/61/177224461.db2.gz HEANRGDEXNHCKE-XHNCKOQMSA-N 2 0 215.272 -0.493 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000372571429 384516396 /nfs/dbraw/zinc/51/63/96/384516396.db2.gz MTNFAGSKJXRANA-XHNCKOQMSA-N 2 0 215.272 -0.364 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000372796274 387329828 /nfs/dbraw/zinc/32/98/28/387329828.db2.gz BSNJOVLEPMNBES-VIFPVBQESA-N 2 0 233.315 -0.054 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372867308 387332630 /nfs/dbraw/zinc/33/26/30/387332630.db2.gz GXIKQGHXZNNABY-GARJFASQSA-N 2 0 241.335 -0.690 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372875082 387330878 /nfs/dbraw/zinc/33/08/78/387330878.db2.gz FRYQFWGNSASLCO-AXFHLTTASA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372875083 387331988 /nfs/dbraw/zinc/33/19/88/387331988.db2.gz FRYQFWGNSASLCO-GMTAPVOTSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372875084 387332262 /nfs/dbraw/zinc/33/22/62/387332262.db2.gz FRYQFWGNSASLCO-HBNTYKKESA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372875085 182621543 /nfs/dbraw/zinc/62/15/43/182621543.db2.gz FRYQFWGNSASLCO-MXWKQRLJSA-N 2 0 223.320 -0.194 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000372887885 387330769 /nfs/dbraw/zinc/33/07/69/387330769.db2.gz ASEMRJAIODUTJP-OUAUKWLOSA-N 2 0 241.335 -0.690 20 0 BBADRP [NH3+][C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC1 ZINC000372904424 387334624 /nfs/dbraw/zinc/33/46/24/387334624.db2.gz NMFNWJJBKUREDB-SECBINFHSA-N 2 0 249.318 -0.478 20 0 BBADRP [NH3+][C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC1 ZINC000372904433 387334744 /nfs/dbraw/zinc/33/47/44/387334744.db2.gz NMFNWJJBKUREDB-VIFPVBQESA-N 2 0 249.318 -0.478 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000372907305 174332255 /nfs/dbraw/zinc/33/22/55/174332255.db2.gz RAOLAHOUOMLVBN-LLVKDONJSA-N 2 0 243.351 -0.129 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000372907306 174332656 /nfs/dbraw/zinc/33/26/56/174332656.db2.gz RAOLAHOUOMLVBN-NSHDSACASA-N 2 0 243.351 -0.129 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372907416 411340286 /nfs/dbraw/zinc/34/02/86/411340286.db2.gz AOGWHJLUNRACQM-OUAUKWLOSA-N 2 0 243.351 -0.444 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000372908454 173352303 /nfs/dbraw/zinc/35/23/03/173352303.db2.gz ZFIBCDJNAAOJNR-JGVFFNPUSA-N 2 0 203.261 -0.636 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372908536 384531658 /nfs/dbraw/zinc/53/16/58/384531658.db2.gz CTTAAMCNZFFWRX-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372908537 384532979 /nfs/dbraw/zinc/53/29/79/384532979.db2.gz CTTAAMCNZFFWRX-DTWKUNHWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372908538 384532434 /nfs/dbraw/zinc/53/24/34/384532434.db2.gz CTTAAMCNZFFWRX-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372908539 384533095 /nfs/dbraw/zinc/53/30/95/384533095.db2.gz CTTAAMCNZFFWRX-RKDXNWHRSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372912264 487854223 /nfs/dbraw/zinc/85/42/23/487854223.db2.gz OZYANFUUMMZNDW-GARJFASQSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372912265 487854082 /nfs/dbraw/zinc/85/40/82/487854082.db2.gz OZYANFUUMMZNDW-GMTAPVOTSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372912266 487854233 /nfs/dbraw/zinc/85/42/33/487854233.db2.gz OZYANFUUMMZNDW-HBNTYKKESA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372912267 487854251 /nfs/dbraw/zinc/85/42/51/487854251.db2.gz OZYANFUUMMZNDW-OUAUKWLOSA-N 2 0 239.319 -0.815 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000373030226 384551697 /nfs/dbraw/zinc/55/16/97/384551697.db2.gz SBUXQWNYZSUTIO-APPZFPTMSA-N 2 0 203.261 -0.506 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000373030228 384551354 /nfs/dbraw/zinc/55/13/54/384551354.db2.gz SBUXQWNYZSUTIO-CBAPKCEASA-N 2 0 203.261 -0.506 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000373030229 384551468 /nfs/dbraw/zinc/55/14/68/384551468.db2.gz SBUXQWNYZSUTIO-IONNQARKSA-N 2 0 203.261 -0.506 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000373030231 384551736 /nfs/dbraw/zinc/55/17/36/384551736.db2.gz SBUXQWNYZSUTIO-VXNVDRBHSA-N 2 0 203.261 -0.506 20 0 BBADRP [NH3+]CC1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000373039594 181365132 /nfs/dbraw/zinc/36/51/32/181365132.db2.gz IPMHYVRXMPEUGX-LLVKDONJSA-N 2 0 229.299 -0.115 20 0 BBADRP [NH3+]CC1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000373039595 181365347 /nfs/dbraw/zinc/36/53/47/181365347.db2.gz IPMHYVRXMPEUGX-NSHDSACASA-N 2 0 229.299 -0.115 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373043092 487856718 /nfs/dbraw/zinc/85/67/18/487856718.db2.gz PAGBDHLNMIDXBO-DCAQKATOSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373043093 487856205 /nfs/dbraw/zinc/85/62/05/487856205.db2.gz PAGBDHLNMIDXBO-GARJFASQSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373043095 487856604 /nfs/dbraw/zinc/85/66/04/487856604.db2.gz PAGBDHLNMIDXBO-OUAUKWLOSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373043097 487856346 /nfs/dbraw/zinc/85/63/46/487856346.db2.gz PAGBDHLNMIDXBO-VWYCJHECSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373057670 487857527 /nfs/dbraw/zinc/85/75/27/487857527.db2.gz OZYANFUUMMZNDW-AXFHLTTASA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373057671 487857542 /nfs/dbraw/zinc/85/75/42/487857542.db2.gz OZYANFUUMMZNDW-DCAQKATOSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373057672 487857603 /nfs/dbraw/zinc/85/76/03/487857603.db2.gz OZYANFUUMMZNDW-MXWKQRLJSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373057673 487857061 /nfs/dbraw/zinc/85/70/61/487857061.db2.gz OZYANFUUMMZNDW-VWYCJHECSA-N 2 0 239.319 -0.815 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000373083366 487858604 /nfs/dbraw/zinc/85/86/04/487858604.db2.gz GLCAOQNCVUBIKJ-AEJSXWLSSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000373083367 487859361 /nfs/dbraw/zinc/85/93/61/487859361.db2.gz GLCAOQNCVUBIKJ-GUBZILKMSA-N 2 0 227.308 -0.816 20 0 BBADRP COCC[C@]1(C(=O)NCC[C@H](C)[NH3+])CC[NH2+]C1 ZINC000373088182 174420980 /nfs/dbraw/zinc/42/09/80/174420980.db2.gz ANKQRTQRKDBBNT-CMPLNLGQSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[C@@]1(C(=O)NCC[C@H](C)[NH3+])CC[NH2+]C1 ZINC000373088183 487858742 /nfs/dbraw/zinc/85/87/42/487858742.db2.gz ANKQRTQRKDBBNT-JQWIXIFHSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[C@@]1(C(=O)NCC[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000373088184 174401394 /nfs/dbraw/zinc/40/13/94/174401394.db2.gz ANKQRTQRKDBBNT-PWSUYJOCSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[C@]1(C(=O)NCC[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000373088185 487859334 /nfs/dbraw/zinc/85/93/34/487859334.db2.gz ANKQRTQRKDBBNT-ZYHUDNBSSA-N 2 0 243.351 -0.144 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000373088991 181395482 /nfs/dbraw/zinc/39/54/82/181395482.db2.gz FKISXWTXDPEHOO-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000373088992 181395321 /nfs/dbraw/zinc/39/53/21/181395321.db2.gz FKISXWTXDPEHOO-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000373088993 181395673 /nfs/dbraw/zinc/39/56/73/181395673.db2.gz FKISXWTXDPEHOO-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000373088994 181395326 /nfs/dbraw/zinc/39/53/26/181395326.db2.gz FKISXWTXDPEHOO-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP CN1C[C@@H]2CN(CCn3ccnc3)CCN2C1=O ZINC000373245675 173187666 /nfs/dbraw/zinc/18/76/66/173187666.db2.gz NERMRHHNIIGSEA-LLVKDONJSA-N 2 0 249.318 -0.065 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000373425152 181617140 /nfs/dbraw/zinc/61/71/40/181617140.db2.gz AXLFITIIONHRBR-CKYFFXLPSA-N 2 0 223.320 -0.161 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000373425153 387366851 /nfs/dbraw/zinc/36/68/51/387366851.db2.gz AXLFITIIONHRBR-FOGDFJRCSA-N 2 0 223.320 -0.161 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000373425154 386133675 /nfs/dbraw/zinc/13/36/75/386133675.db2.gz AXLFITIIONHRBR-HOSYDEDBSA-N 2 0 223.320 -0.161 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000373425155 386133808 /nfs/dbraw/zinc/13/38/08/386133808.db2.gz AXLFITIIONHRBR-UMNHJUIQSA-N 2 0 223.320 -0.161 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373427265 176326499 /nfs/dbraw/zinc/32/64/99/176326499.db2.gz RQGWYDSCGJUDFU-CKYFFXLPSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000373427266 176327288 /nfs/dbraw/zinc/32/72/88/176327288.db2.gz RQGWYDSCGJUDFU-FOGDFJRCSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373427267 177284011 /nfs/dbraw/zinc/28/40/11/177284011.db2.gz RQGWYDSCGJUDFU-HOSYDEDBSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373427268 177283387 /nfs/dbraw/zinc/28/33/87/177283387.db2.gz RQGWYDSCGJUDFU-JBLDHEPKSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373427269 176325873 /nfs/dbraw/zinc/32/58/73/176325873.db2.gz RQGWYDSCGJUDFU-JFGNBEQYSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373427270 177282382 /nfs/dbraw/zinc/28/23/82/177282382.db2.gz RQGWYDSCGJUDFU-NHCYSSNCSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373427271 176325618 /nfs/dbraw/zinc/32/56/18/176325618.db2.gz RQGWYDSCGJUDFU-SCVCMEIPSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000373427272 177283833 /nfs/dbraw/zinc/28/38/33/177283833.db2.gz RQGWYDSCGJUDFU-UMNHJUIQSA-N 2 0 223.320 -0.194 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373428213 174332882 /nfs/dbraw/zinc/33/28/82/174332882.db2.gz XCJZYOOHCGBWGH-CMPLNLGQSA-N 2 0 241.335 -0.662 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373428217 174332825 /nfs/dbraw/zinc/33/28/25/174332825.db2.gz XCJZYOOHCGBWGH-JQWIXIFHSA-N 2 0 241.335 -0.662 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000373428218 174333564 /nfs/dbraw/zinc/33/35/64/174333564.db2.gz XCJZYOOHCGBWGH-PWSUYJOCSA-N 2 0 241.335 -0.662 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373428219 174332004 /nfs/dbraw/zinc/33/20/04/174332004.db2.gz XCJZYOOHCGBWGH-ZYHUDNBSSA-N 2 0 241.335 -0.662 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000373434564 387367463 /nfs/dbraw/zinc/36/74/63/387367463.db2.gz HPMVTSVHLPTKGK-OUAUKWLOSA-N 2 0 239.319 -0.672 20 0 BBADRP [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373435297 387367327 /nfs/dbraw/zinc/36/73/27/387367327.db2.gz LTBHWLNRZAGCCF-HOSYDEDBSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373435299 387367149 /nfs/dbraw/zinc/36/71/49/387367149.db2.gz LTBHWLNRZAGCCF-JBLDHEPKSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373435300 387367563 /nfs/dbraw/zinc/36/75/63/387367563.db2.gz LTBHWLNRZAGCCF-NHCYSSNCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000373435301 181430860 /nfs/dbraw/zinc/43/08/60/181430860.db2.gz LTBHWLNRZAGCCF-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000373461149 387373032 /nfs/dbraw/zinc/37/30/32/387373032.db2.gz LXHYQNBXAUYNSB-GXSJLCMTSA-N 2 0 229.324 -0.310 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000373461150 387373451 /nfs/dbraw/zinc/37/34/51/387373451.db2.gz LXHYQNBXAUYNSB-KOLCDFICSA-N 2 0 229.324 -0.310 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000373461151 387372993 /nfs/dbraw/zinc/37/29/93/387372993.db2.gz LXHYQNBXAUYNSB-MWLCHTKSSA-N 2 0 229.324 -0.310 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000373461152 387372589 /nfs/dbraw/zinc/37/25/89/387372589.db2.gz LXHYQNBXAUYNSB-ONGXEEELSA-N 2 0 229.324 -0.310 20 0 BBADRP O=C(N1CC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373861926 182082769 /nfs/dbraw/zinc/08/27/69/182082769.db2.gz CMYNCWOBCIDBFY-ZYHUDNBSSA-N 2 0 223.320 -0.192 20 0 BBADRP [NH3+]CCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373862150 181381941 /nfs/dbraw/zinc/38/19/41/181381941.db2.gz FXDWSVXAVRAHLS-MWLCHTKSSA-N 2 0 211.309 -0.159 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000373863387 387401119 /nfs/dbraw/zinc/40/11/19/387401119.db2.gz RCVZBVKMDMJWJF-CKYFFXLPSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000373863388 387401371 /nfs/dbraw/zinc/40/13/71/387401371.db2.gz RCVZBVKMDMJWJF-JFGNBEQYSA-N 2 0 223.320 -0.064 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000374126278 173327273 /nfs/dbraw/zinc/32/72/73/173327273.db2.gz UTSJBMMOVXHDOQ-UWVGGRQHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000374126279 173328002 /nfs/dbraw/zinc/32/80/02/173328002.db2.gz UTSJBMMOVXHDOQ-VHSXEESVSA-N 2 0 211.309 -0.242 20 0 BBADRP NC(=[NH2+])NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000374372631 181190327 /nfs/dbraw/zinc/19/03/27/181190327.db2.gz ZUKMCYAGNXNYQA-RKDXNWHRSA-N 2 0 212.297 -0.277 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374480385 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/nfs/dbraw/zinc/54/33/50/346543350.db2.gz NZISQIOLTNFYAK-XFWSIPNHSA-N 2 0 211.309 -0.081 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000375062844 173371380 /nfs/dbraw/zinc/37/13/80/173371380.db2.gz BKOMDSJLRQESSE-LPEHRKFASA-N 2 0 245.298 -0.867 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000375069578 173372073 /nfs/dbraw/zinc/37/20/73/173372073.db2.gz BKOMDSJLRQESSE-GUBZILKMSA-N 2 0 245.298 -0.867 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000375247658 387519314 /nfs/dbraw/zinc/51/93/14/387519314.db2.gz BBAIFMRUBKYSJI-JBLDHEPKSA-N 2 0 223.320 -0.161 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000375247659 181448118 /nfs/dbraw/zinc/44/81/18/181448118.db2.gz BBAIFMRUBKYSJI-JFGNBEQYSA-N 2 0 223.320 -0.161 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000375247660 181448503 /nfs/dbraw/zinc/44/85/03/181448503.db2.gz BBAIFMRUBKYSJI-NHCYSSNCSA-N 2 0 223.320 -0.161 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000375247661 387518605 /nfs/dbraw/zinc/51/86/05/387518605.db2.gz BBAIFMRUBKYSJI-SCVCMEIPSA-N 2 0 223.320 -0.161 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000375833403 387585354 /nfs/dbraw/zinc/58/53/54/387585354.db2.gz HKWSDIAYKCXINF-MMWGEVLESA-N 2 0 241.335 -0.454 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000375833404 387586132 /nfs/dbraw/zinc/58/61/32/387586132.db2.gz HKWSDIAYKCXINF-NAKRPEOUSA-N 2 0 241.335 -0.454 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000375833405 387585320 /nfs/dbraw/zinc/58/53/20/387585320.db2.gz HKWSDIAYKCXINF-VLEAKVRGSA-N 2 0 241.335 -0.454 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000375833406 387584897 /nfs/dbraw/zinc/58/48/97/387584897.db2.gz HKWSDIAYKCXINF-ZDCRXTMVSA-N 2 0 241.335 -0.454 20 0 BBADRP O=C([C@@H]1COCCN1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000375931821 387593705 /nfs/dbraw/zinc/59/37/05/387593705.db2.gz KFYDUBBATUZZKH-AXFHLTTASA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1COCCN1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000375931825 387595367 /nfs/dbraw/zinc/59/53/67/387595367.db2.gz KFYDUBBATUZZKH-DCAQKATOSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1COCCN1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000375931827 387594617 /nfs/dbraw/zinc/59/46/17/387594617.db2.gz KFYDUBBATUZZKH-MXWKQRLJSA-N 2 0 239.319 -0.815 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000375933439 384823645 /nfs/dbraw/zinc/82/36/45/384823645.db2.gz JVYKDHJJWHLGKV-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000375933440 384822681 /nfs/dbraw/zinc/82/26/81/384822681.db2.gz JVYKDHJJWHLGKV-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000376106260 387608424 /nfs/dbraw/zinc/60/84/24/387608424.db2.gz HGNBDEPSSXQYOH-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000376106261 387608951 /nfs/dbraw/zinc/60/89/51/387608951.db2.gz HGNBDEPSSXQYOH-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000376202874 173348081 /nfs/dbraw/zinc/34/80/81/173348081.db2.gz GNMIXJNWXQXZCG-GFCCVEGCSA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000376202875 173348855 /nfs/dbraw/zinc/34/88/55/173348855.db2.gz GNMIXJNWXQXZCG-LBPRGKRZSA-N 2 0 243.351 -0.272 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000376465767 387636922 /nfs/dbraw/zinc/63/69/22/387636922.db2.gz ZFDAWDPMGUOCGN-FXPVBKGRSA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000376465769 387636905 /nfs/dbraw/zinc/63/69/05/387636905.db2.gz ZFDAWDPMGUOCGN-KKZNHRDASA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000376465770 176374006 /nfs/dbraw/zinc/37/40/06/176374006.db2.gz ZFDAWDPMGUOCGN-WCABBAIRSA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000376465771 176374038 /nfs/dbraw/zinc/37/40/38/176374038.db2.gz ZFDAWDPMGUOCGN-YWVKMMECSA-N 2 0 229.299 -0.055 20 0 BBADRP COCC1(C(=O)NC2C[NH2+]C2)CC[NH2+]CC1 ZINC000376562776 174086818 /nfs/dbraw/zinc/08/68/18/174086818.db2.gz VHUTUSKTUPLBIX-UHFFFAOYSA-N 2 0 227.308 -0.909 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000376723699 387665618 /nfs/dbraw/zinc/66/56/18/387665618.db2.gz WWQUJMDTHVXFHM-BDAKNGLRSA-N 2 0 229.324 -0.657 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000376723700 168417526 /nfs/dbraw/zinc/41/75/26/168417526.db2.gz WWQUJMDTHVXFHM-IUCAKERBSA-N 2 0 229.324 -0.657 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000376940319 387680861 /nfs/dbraw/zinc/68/08/61/387680861.db2.gz SLLKYCYHNVZXDE-JTQLQIEISA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000376940320 387681545 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[NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000377142934 387695219 /nfs/dbraw/zinc/69/52/19/387695219.db2.gz WHUXOHQJMUDACD-GMTAPVOTSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000377142938 387695408 /nfs/dbraw/zinc/69/54/08/387695408.db2.gz WHUXOHQJMUDACD-MXWKQRLJSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000377142939 387695363 /nfs/dbraw/zinc/69/53/63/387695363.db2.gz WHUXOHQJMUDACD-OUAUKWLOSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000377142940 387694780 /nfs/dbraw/zinc/69/47/80/387694780.db2.gz WHUXOHQJMUDACD-VWYCJHECSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000377164998 398027730 /nfs/dbraw/zinc/02/77/30/398027730.db2.gz LETYVAXPOZEOKU-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000377164999 398027726 /nfs/dbraw/zinc/02/77/26/398027726.db2.gz LETYVAXPOZEOKU-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000377165001 398027705 /nfs/dbraw/zinc/02/77/05/398027705.db2.gz LETYVAXPOZEOKU-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000377165003 181456958 /nfs/dbraw/zinc/45/69/58/181456958.db2.gz LETYVAXPOZEOKU-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000377196895 385017246 /nfs/dbraw/zinc/01/72/46/385017246.db2.gz KAZAIKSMYBUMJX-PSASIEDQSA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000377196896 385017968 /nfs/dbraw/zinc/01/79/68/385017968.db2.gz KAZAIKSMYBUMJX-SCZZXKLOSA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000377196897 385017508 /nfs/dbraw/zinc/01/75/08/385017508.db2.gz KAZAIKSMYBUMJX-WCBMZHEXSA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000377196898 385015844 /nfs/dbraw/zinc/01/58/44/385015844.db2.gz KAZAIKSMYBUMJX-WPRPVWTQSA-N 2 0 215.272 -0.459 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[N@H+](C)C1CC1 ZINC000377274340 387707448 /nfs/dbraw/zinc/70/74/48/387707448.db2.gz YBJCXTVCVIYWKV-INTQDDNPSA-N 2 0 241.335 -0.692 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000377389575 182229895 /nfs/dbraw/zinc/22/98/95/182229895.db2.gz FCIQKKWJBPDFTE-GUBZILKMSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000377389581 182228997 /nfs/dbraw/zinc/22/89/97/182228997.db2.gz FCIQKKWJBPDFTE-UTLUCORTSA-N 2 0 229.299 -0.198 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000377402436 188078681 /nfs/dbraw/zinc/07/86/81/188078681.db2.gz RDCNZMNFMRNDPM-JZYVYDRUSA-N 2 0 211.309 -0.339 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000377415533 182022157 /nfs/dbraw/zinc/02/21/57/182022157.db2.gz YOWCVSVXMDACQV-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000377415539 182031344 /nfs/dbraw/zinc/03/13/44/182031344.db2.gz YOWCVSVXMDACQV-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000377415541 182022014 /nfs/dbraw/zinc/02/20/14/182022014.db2.gz YOWCVSVXMDACQV-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000377415542 182030352 /nfs/dbraw/zinc/03/03/52/182030352.db2.gz YOWCVSVXMDACQV-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000377559428 385115290 /nfs/dbraw/zinc/11/52/90/385115290.db2.gz CWLLHHMQSMYSKD-KHQFGBGNSA-N 2 0 215.272 -0.364 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000377559429 385114454 /nfs/dbraw/zinc/11/44/54/385114454.db2.gz CWLLHHMQSMYSKD-MRTMQBJTSA-N 2 0 215.272 -0.364 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000377559430 385115035 /nfs/dbraw/zinc/11/50/35/385115035.db2.gz CWLLHHMQSMYSKD-NQMVMOMDSA-N 2 0 215.272 -0.364 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000377559431 385114599 /nfs/dbraw/zinc/11/45/99/385114599.db2.gz CWLLHHMQSMYSKD-WEDXCCLWSA-N 2 0 215.272 -0.364 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377562481 387727217 /nfs/dbraw/zinc/72/72/17/387727217.db2.gz JSFJTLYBVRZYOT-MNOVXSKESA-N 2 0 240.351 -0.770 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377562509 387724883 /nfs/dbraw/zinc/72/48/83/387724883.db2.gz JSFJTLYBVRZYOT-QWRGUYRKSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CCNC[C@H]1C(F)F ZINC000377588098 397796908 /nfs/dbraw/zinc/79/69/08/397796908.db2.gz NWAXOYMJTYXUQU-BQBZGAKWSA-N 2 0 221.251 -0.353 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CCNC[C@@H]1C(F)F ZINC000377588100 397796521 /nfs/dbraw/zinc/79/65/21/397796521.db2.gz NWAXOYMJTYXUQU-NKWVEPMBSA-N 2 0 221.251 -0.353 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCNC[C@@H]1C(F)F ZINC000377588101 397796416 /nfs/dbraw/zinc/79/64/16/397796416.db2.gz NWAXOYMJTYXUQU-RNFRBKRXSA-N 2 0 221.251 -0.353 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCNC[C@H]1C(F)F ZINC000377588102 397796568 /nfs/dbraw/zinc/79/65/68/397796568.db2.gz NWAXOYMJTYXUQU-RQJHMYQMSA-N 2 0 221.251 -0.353 20 0 BBADRP COCCC[N@@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000378202905 174228478 /nfs/dbraw/zinc/22/84/78/174228478.db2.gz PDVULBAEPGNMQZ-UHFFFAOYSA-N 2 0 243.351 -0.094 20 0 BBADRP COCCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000378203361 174227955 /nfs/dbraw/zinc/22/79/55/174227955.db2.gz PWSPQXUGLZKZEJ-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP COCCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000378203363 174229416 /nfs/dbraw/zinc/22/94/16/174229416.db2.gz PWSPQXUGLZKZEJ-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP COCCC[N@@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000378203774 174229163 /nfs/dbraw/zinc/22/91/63/174229163.db2.gz RPKVVZLFAKKMNT-UHFFFAOYSA-N 2 0 229.324 -0.484 20 0 BBADRP C[NH2+]CC(=O)N1CCC[N@H+](CCCOC)CC1 ZINC000378205099 173326053 /nfs/dbraw/zinc/32/60/53/173326053.db2.gz YSKHJEYXWAJWFN-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP O=C(C1C[NH2+]C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000378635943 387791260 /nfs/dbraw/zinc/79/12/60/387791260.db2.gz HTHAKJPUSQTUMW-UHFFFAOYSA-N 2 0 223.320 -0.051 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)C[C@H]21 ZINC000378640381 173157162 /nfs/dbraw/zinc/15/71/62/173157162.db2.gz VWULGZNUCWSHFL-GXSJLCMTSA-N 2 0 223.320 -0.242 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C3C[NH2+]C3)C[C@@H]21 ZINC000378640384 173158475 /nfs/dbraw/zinc/15/84/75/173158475.db2.gz VWULGZNUCWSHFL-ONGXEEELSA-N 2 0 223.320 -0.242 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000378663108 388480201 /nfs/dbraw/zinc/48/02/01/388480201.db2.gz AZPHLJCTWCLXBD-AXTSPUMRSA-N 2 0 209.293 -0.728 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000378663109 388480427 /nfs/dbraw/zinc/48/04/27/388480427.db2.gz AZPHLJCTWCLXBD-IMSYWVGJSA-N 2 0 209.293 -0.728 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000378664031 388480360 /nfs/dbraw/zinc/48/03/60/388480360.db2.gz DSJMHYFLCAGFLQ-VHSXEESVSA-N 2 0 211.309 -0.303 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378672625 388482261 /nfs/dbraw/zinc/48/22/61/388482261.db2.gz LMQFLAWUBLJADK-BIIVOSGPSA-N 2 0 203.261 -0.460 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@H](F)C[NH2+]1 ZINC000378673423 385460733 /nfs/dbraw/zinc/46/07/33/385460733.db2.gz MKXHDLAKJYNRLZ-OFPUPOEVSA-N 2 0 213.256 -0.980 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378675972 385460285 /nfs/dbraw/zinc/46/02/85/385460285.db2.gz PDQKLQHAGOQWAD-BBBLOLIVSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378678700 388482153 /nfs/dbraw/zinc/48/21/53/388482153.db2.gz SMHDUAFUVONJBY-CIUDSAMLSA-N 2 0 217.288 -0.070 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378678701 388482870 /nfs/dbraw/zinc/48/28/70/388482870.db2.gz SMHDUAFUVONJBY-VGMNWLOBSA-N 2 0 217.288 -0.070 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000378682524 346805731 /nfs/dbraw/zinc/80/57/31/346805731.db2.gz XZHHMOBYRPKVFT-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378684660 388482214 /nfs/dbraw/zinc/48/22/14/388482214.db2.gz BSMVVMQYZJNPEQ-RERUZZKTSA-N 2 0 207.277 -0.929 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000378694866 345474842 /nfs/dbraw/zinc/47/48/42/345474842.db2.gz DWZYMBOAGDSAHZ-HRDYMLBCSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000378694867 345474678 /nfs/dbraw/zinc/47/46/78/345474678.db2.gz DWZYMBOAGDSAHZ-XHNCKOQMSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000378698086 346809894 /nfs/dbraw/zinc/80/98/94/346809894.db2.gz LZLJNKNBONUYSV-KXUCPTDWSA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000378701811 346811016 /nfs/dbraw/zinc/81/10/16/346811016.db2.gz KFIMOECCDXGDQE-AEJSXWLSSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000378701812 346811051 /nfs/dbraw/zinc/81/10/51/346811051.db2.gz KFIMOECCDXGDQE-IVZWLZJFSA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+]CCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000378712806 346813205 /nfs/dbraw/zinc/81/32/05/346813205.db2.gz VKRJKAPVUSGWHM-VHSXEESVSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000378715158 346814192 /nfs/dbraw/zinc/81/41/92/346814192.db2.gz YDXPXBROLSCQSI-FKTZTGRPSA-N 2 0 211.309 -0.162 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378715373 385477180 /nfs/dbraw/zinc/47/71/80/385477180.db2.gz YKZJJWIOQYDWJD-KYXWUPHJSA-N 2 0 211.309 -0.164 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378715374 388484836 /nfs/dbraw/zinc/48/48/36/388484836.db2.gz YKZJJWIOQYDWJD-RGOKHQFPSA-N 2 0 211.309 -0.164 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC[NH2+]1 ZINC000378719876 385477479 /nfs/dbraw/zinc/47/74/79/385477479.db2.gz FJXQLASUGCZJBN-XHNCKOQMSA-N 2 0 215.272 -0.493 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000378724173 346817906 /nfs/dbraw/zinc/81/79/06/346817906.db2.gz ALEAEUXMOSWCDE-AOOOYVTPSA-N 2 0 211.309 -0.336 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378724743 388487296 /nfs/dbraw/zinc/48/72/96/388487296.db2.gz ICANHDXPMUDEKE-BBBLOLIVSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000378725505 388487273 /nfs/dbraw/zinc/48/72/73/388487273.db2.gz IMZYAXBAXJGZJE-IMSYWVGJSA-N 2 0 209.293 -0.680 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000378727881 388489069 /nfs/dbraw/zinc/48/90/69/388489069.db2.gz VBJSXZUKBWFAIC-UHFFFAOYSA-N 2 0 241.335 -0.342 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378736816 388490171 /nfs/dbraw/zinc/49/01/71/388490171.db2.gz ZYLXAZDVRSVSGR-XHNCKOQMSA-N 2 0 217.288 -0.214 20 0 BBADRP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[NH2+]1 ZINC000378747634 388494342 /nfs/dbraw/zinc/49/43/42/388494342.db2.gz SCXQUYXHJYMARP-NXEZZACHSA-N 2 0 211.309 -0.195 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000378755067 388496079 /nfs/dbraw/zinc/49/60/79/388496079.db2.gz XNEVPABUDMEQRK-IMSYWVGJSA-N 2 0 211.309 -0.434 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000378755335 385490098 /nfs/dbraw/zinc/49/00/98/385490098.db2.gz XQFJVJJFBFRJDJ-RKDXNWHRSA-N 2 0 215.297 -0.652 20 0 BBADRP [NH3+]CCCCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378757150 388496872 /nfs/dbraw/zinc/49/68/72/388496872.db2.gz YQIYVZIEOBLGLP-IUCAKERBSA-N 2 0 217.288 -0.068 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000378759279 346826386 /nfs/dbraw/zinc/82/63/86/346826386.db2.gz ALSHHBSKQZKRKF-HLTSFMKQSA-N 2 0 215.297 -0.654 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000378759282 346825985 /nfs/dbraw/zinc/82/59/85/346825985.db2.gz ALSHHBSKQZKRKF-IWSPIJDZSA-N 2 0 215.297 -0.654 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000378775212 346831897 /nfs/dbraw/zinc/83/18/97/346831897.db2.gz HJLXIBSVLPDMLE-DTWKUNHWSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000378776227 385497402 /nfs/dbraw/zinc/49/74/02/385497402.db2.gz HPFSDPTUAZRDTK-KYXWUPHJSA-N 2 0 209.293 -0.443 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000378776228 388500582 /nfs/dbraw/zinc/50/05/82/388500582.db2.gz HPFSDPTUAZRDTK-RGOKHQFPSA-N 2 0 209.293 -0.443 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H](C)[NH3+] ZINC000378790164 388505354 /nfs/dbraw/zinc/50/53/54/388505354.db2.gz NBUYVSOHYLULIU-CIUDSAMLSA-N 2 0 217.288 -0.118 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H](C)[NH3+] ZINC000378790168 388504990 /nfs/dbraw/zinc/50/49/90/388504990.db2.gz NBUYVSOHYLULIU-VGMNWLOBSA-N 2 0 217.288 -0.118 20 0 BBADRP CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000378793136 388506439 /nfs/dbraw/zinc/50/64/39/388506439.db2.gz OUMCHFDWRDQTDZ-KYXWUPHJSA-N 2 0 209.293 -0.443 20 0 BBADRP CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000378793137 388506279 /nfs/dbraw/zinc/50/62/79/388506279.db2.gz OUMCHFDWRDQTDZ-RGOKHQFPSA-N 2 0 209.293 -0.443 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000378793475 487670292 /nfs/dbraw/zinc/67/02/92/487670292.db2.gz OZKLUMHFNXBRGM-XHNCKOQMSA-N 2 0 217.288 -0.118 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000378799430 345575701 /nfs/dbraw/zinc/57/57/01/345575701.db2.gz SNAGCVBPGHGLON-VHSXEESVSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000378806075 388507403 /nfs/dbraw/zinc/50/74/03/388507403.db2.gz XBQBLSACPFYBAW-AXTSPUMRSA-N 2 0 209.293 -0.728 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[NH3+] ZINC000378806476 385517455 /nfs/dbraw/zinc/51/74/55/385517455.db2.gz XFOKAWYANBZZHM-YUMQZZPRSA-N 2 0 203.261 -0.506 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[NH2+]CC1 ZINC000378807844 388508604 /nfs/dbraw/zinc/50/86/04/388508604.db2.gz XYWGABCXGSJGSU-BBBLOLIVSA-N 2 0 209.293 -0.441 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000378856443 357398687 /nfs/dbraw/zinc/39/86/87/357398687.db2.gz KRIWHHCSZYAKED-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000378856444 346849514 /nfs/dbraw/zinc/84/95/14/346849514.db2.gz KRIWHHCSZYAKED-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000379421670 398037640 /nfs/dbraw/zinc/03/76/40/398037640.db2.gz AOMTVYMNYFPLJT-MYJAWHEDSA-N 2 0 211.309 -0.432 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000379430783 398146194 /nfs/dbraw/zinc/14/61/94/398146194.db2.gz FBNWSCDSVXYTFL-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000379432289 358486728 /nfs/dbraw/zinc/48/67/28/358486728.db2.gz FSWQOSSFWODXKY-AEJSXWLSSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000379432301 358486796 /nfs/dbraw/zinc/48/67/96/358486796.db2.gz FSWQOSSFWODXKY-BBBLOLIVSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000379432302 358488044 /nfs/dbraw/zinc/48/80/44/358488044.db2.gz FSWQOSSFWODXKY-GUBZILKMSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000379432303 358487773 /nfs/dbraw/zinc/48/77/73/358487773.db2.gz FSWQOSSFWODXKY-UTLUCORTSA-N 2 0 211.309 -0.005 20 0 BBADRP C[NH2+]CCCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379463941 358500328 /nfs/dbraw/zinc/50/03/28/358500328.db2.gz VUIWXASXUYTPNI-AOOOYVTPSA-N 2 0 211.309 -0.336 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000379511808 712386729 /nfs/dbraw/zinc/38/67/29/712386729.db2.gz YUZSULLNFFEBPD-NXEZZACHSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000379511818 712386694 /nfs/dbraw/zinc/38/66/94/712386694.db2.gz YUZSULLNFFEBPD-UWVGGRQHSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000379511821 712386717 /nfs/dbraw/zinc/38/67/17/712386717.db2.gz YUZSULLNFFEBPD-VHSXEESVSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000379511845 712386428 /nfs/dbraw/zinc/38/64/28/712386428.db2.gz YUZSULLNFFEBPD-ZJUUUORDSA-N 2 0 202.298 -0.336 20 0 BBADRP CC[N@H+](CCOCC[NH3+])CCC(N)=O ZINC000379535755 712387471 /nfs/dbraw/zinc/38/74/71/712387471.db2.gz LPSIEYBAZCNJCD-UHFFFAOYSA-N 2 0 203.286 -0.841 20 0 BBADRP Cc1nc(CNC(C[NH3+])C[NH3+])cs1 ZINC000379603244 712389711 /nfs/dbraw/zinc/38/97/11/712389711.db2.gz NPQRZPUGRYWACL-UHFFFAOYSA-N 2 0 200.311 -0.173 20 0 BBADRP CSC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379656221 343589205 /nfs/dbraw/zinc/58/92/05/343589205.db2.gz LAHIREJDRUMXBK-AEJSXWLSSA-N 2 0 216.350 -0.139 20 0 BBADRP CSC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379656222 343589446 /nfs/dbraw/zinc/58/94/46/343589446.db2.gz LAHIREJDRUMXBK-KXUCPTDWSA-N 2 0 216.350 -0.139 20 0 BBADRP CSC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000379656223 343589401 /nfs/dbraw/zinc/58/94/01/343589401.db2.gz LAHIREJDRUMXBK-LPEHRKFASA-N 2 0 216.350 -0.139 20 0 BBADRP CSC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000379656224 343589314 /nfs/dbraw/zinc/58/93/14/343589314.db2.gz LAHIREJDRUMXBK-OPRDCNLKSA-N 2 0 216.350 -0.139 20 0 BBADRP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000379774812 398235607 /nfs/dbraw/zinc/23/56/07/398235607.db2.gz CKGPABHEIYDCSR-PSASIEDQSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000379774814 398235596 /nfs/dbraw/zinc/23/55/96/398235596.db2.gz CKGPABHEIYDCSR-SCZZXKLOSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000379774815 398165001 /nfs/dbraw/zinc/16/50/01/398165001.db2.gz CKGPABHEIYDCSR-WCBMZHEXSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000379774816 398164796 /nfs/dbraw/zinc/16/47/96/398164796.db2.gz CKGPABHEIYDCSR-WPRPVWTQSA-N 2 0 211.309 -0.114 20 0 BBADRP NCC(F)(F)CNC(=O)CCCC[NH3+] ZINC000379779059 365254605 /nfs/dbraw/zinc/25/46/05/365254605.db2.gz FFAQUZCNVLAIKM-UHFFFAOYSA-N 2 0 209.240 -0.174 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)COCC[NH3+] ZINC000379783517 398166812 /nfs/dbraw/zinc/16/68/12/398166812.db2.gz GZUBKJWMVXPREH-MRVPVSSYSA-N 2 0 203.286 -0.939 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)COCC[NH3+] ZINC000379783523 398166483 /nfs/dbraw/zinc/16/64/83/398166483.db2.gz GZUBKJWMVXPREH-QMMMGPOBSA-N 2 0 203.286 -0.939 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCNC(=O)C2)C1 ZINC000379816939 712611622 /nfs/dbraw/zinc/61/16/22/712611622.db2.gz RUKXTHBYSDYCLT-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@@H]1C ZINC000379849316 488153314 /nfs/dbraw/zinc/15/33/14/488153314.db2.gz AFPVRXAFRLRZKB-DCAQKATOSA-N 2 0 216.325 -0.246 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H]1C ZINC000379849319 488153561 /nfs/dbraw/zinc/15/35/61/488153561.db2.gz AFPVRXAFRLRZKB-MXWKQRLJSA-N 2 0 216.325 -0.246 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@H]1C ZINC000379849324 488153526 /nfs/dbraw/zinc/15/35/26/488153526.db2.gz AFPVRXAFRLRZKB-VWYCJHECSA-N 2 0 216.325 -0.246 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)COCC[NH3+] ZINC000379852231 398171887 /nfs/dbraw/zinc/17/18/87/398171887.db2.gz AVLIHXWRDOPQEL-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000379856667 712617453 /nfs/dbraw/zinc/61/74/53/712617453.db2.gz ICAICLPNQGIEKW-DCAQKATOSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000379868581 712619365 /nfs/dbraw/zinc/61/93/65/712619365.db2.gz OFJOIQBZUWRLIY-MNOVXSKESA-N 2 0 241.335 -0.487 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000379868585 712619363 /nfs/dbraw/zinc/61/93/63/712619363.db2.gz OFJOIQBZUWRLIY-QWRGUYRKSA-N 2 0 241.335 -0.487 20 0 BBADRP C[C@@H]1C[N@H+](CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000379877010 365335443 /nfs/dbraw/zinc/33/54/43/365335443.db2.gz APWGKIZFTZJQFG-NXEZZACHSA-N 3 0 201.314 -0.369 20 0 BBADRP C[C@H]1C[N@H+](CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000379877014 365334865 /nfs/dbraw/zinc/33/48/65/365334865.db2.gz APWGKIZFTZJQFG-UWVGGRQHSA-N 3 0 201.314 -0.369 20 0 BBADRP C[C@H]1C[N@H+](CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000379877015 365334911 /nfs/dbraw/zinc/33/49/11/365334911.db2.gz APWGKIZFTZJQFG-VHSXEESVSA-N 3 0 201.314 -0.369 20 0 BBADRP C[C@@H]1C[N@H+](CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000379877017 365334652 /nfs/dbraw/zinc/33/46/52/365334652.db2.gz APWGKIZFTZJQFG-ZJUUUORDSA-N 3 0 201.314 -0.369 20 0 BBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000379891889 712621042 /nfs/dbraw/zinc/62/10/42/712621042.db2.gz AXISNACVGIJQOX-KXUCPTDWSA-N 2 0 211.309 -0.256 20 0 BBADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CO)C[C@@H]2C1 ZINC000379894258 712621232 /nfs/dbraw/zinc/62/12/32/712621232.db2.gz BLYKKSSAZZYQKG-OUAUKWLOSA-N 2 0 214.309 -0.777 20 0 BBADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CO)C[C@@H]2C1 ZINC000379894259 712621246 /nfs/dbraw/zinc/62/12/46/712621246.db2.gz BLYKKSSAZZYQKG-VWYCJHECSA-N 2 0 214.309 -0.777 20 0 BBADRP [NH3+][C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000379897248 712621821 /nfs/dbraw/zinc/62/18/21/712621821.db2.gz CIDYUQNAGUJKTD-QWRGUYRKSA-N 2 0 213.325 -0.524 20 0 BBADRP [NH3+][C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000379897251 712621837 /nfs/dbraw/zinc/62/18/37/712621837.db2.gz CIDYUQNAGUJKTD-WDEREUQCSA-N 2 0 213.325 -0.524 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC([NH3+])CC1 ZINC000379959479 712636595 /nfs/dbraw/zinc/63/65/95/712636595.db2.gz KNGXYGYENFBMIH-GFCCVEGCSA-N 2 0 245.367 -0.651 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CCC([NH3+])CC1 ZINC000379959481 712636674 /nfs/dbraw/zinc/63/66/74/712636674.db2.gz KNGXYGYENFBMIH-LBPRGKRZSA-N 2 0 245.367 -0.651 20 0 BBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000379962065 365765961 /nfs/dbraw/zinc/76/59/61/365765961.db2.gz HEUWXGONXQKRLR-GARJFASQSA-N 2 0 218.341 -0.095 20 0 BBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H](C)CO ZINC000379962070 365765721 /nfs/dbraw/zinc/76/57/21/365765721.db2.gz HEUWXGONXQKRLR-GMTAPVOTSA-N 2 0 218.341 -0.095 20 0 BBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000379962085 365767287 /nfs/dbraw/zinc/76/72/87/365767287.db2.gz HEUWXGONXQKRLR-HBNTYKKESA-N 2 0 218.341 -0.095 20 0 BBADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000379962090 365767138 /nfs/dbraw/zinc/76/71/38/365767138.db2.gz HEUWXGONXQKRLR-OUAUKWLOSA-N 2 0 218.341 -0.095 20 0 BBADRP CN(C[C@@H](O)C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000379983286 712643845 /nfs/dbraw/zinc/64/38/45/712643845.db2.gz SZQBRUJDKFDDHP-LLVKDONJSA-N 2 0 213.325 -0.653 20 0 BBADRP CN(C[C@H](O)C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000379983290 712643842 /nfs/dbraw/zinc/64/38/42/712643842.db2.gz SZQBRUJDKFDDHP-NSHDSACASA-N 2 0 213.325 -0.653 20 0 BBADRP CCN(CC[NH3+])C[C@@H](O)C[NH+]1CCCC1 ZINC000379993374 712645088 /nfs/dbraw/zinc/64/50/88/712645088.db2.gz YVXQELDQYORGCF-LLVKDONJSA-N 2 0 215.341 -0.276 20 0 BBADRP CCN(CC[NH3+])C[C@H](O)C[NH+]1CCCC1 ZINC000379993375 712645146 /nfs/dbraw/zinc/64/51/46/712645146.db2.gz YVXQELDQYORGCF-NSHDSACASA-N 2 0 215.341 -0.276 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C[NH3+])OC ZINC000380020292 365810979 /nfs/dbraw/zinc/81/09/79/365810979.db2.gz OBIFCJVJAOEIJM-HTQZYQBOSA-N 2 0 203.286 -0.926 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C[NH3+])OC ZINC000380020294 365810790 /nfs/dbraw/zinc/81/07/90/365810790.db2.gz OBIFCJVJAOEIJM-SFYZADRCSA-N 2 0 203.286 -0.926 20 0 BBADRP CC[NH2+]Cc1cn(C[C@H](O)C[N@H+](C)CC)nn1 ZINC000380046373 398184304 /nfs/dbraw/zinc/18/43/04/398184304.db2.gz UBZVZIFYEKCRPQ-LLVKDONJSA-N 2 0 241.339 -0.300 20 0 BBADRP CC[NH2+]Cc1cn(C[C@@H](O)C[N@H+](C)CC)nn1 ZINC000380046376 398184290 /nfs/dbraw/zinc/18/42/90/398184290.db2.gz UBZVZIFYEKCRPQ-NSHDSACASA-N 2 0 241.339 -0.300 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000380064414 712684468 /nfs/dbraw/zinc/68/44/68/712684468.db2.gz PCPYNWWUZKGSIB-NEPJUHHUSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@H]1CC[NH2+]C1 ZINC000380064415 712684471 /nfs/dbraw/zinc/68/44/71/712684471.db2.gz PCPYNWWUZKGSIB-NWDGAFQWSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@H]1CC[NH2+]C1 ZINC000380064416 712684462 /nfs/dbraw/zinc/68/44/62/712684462.db2.gz PCPYNWWUZKGSIB-RYUDHWBXSA-N 2 0 245.367 -0.781 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000380064417 712684529 /nfs/dbraw/zinc/68/45/29/712684529.db2.gz PCPYNWWUZKGSIB-VXGBXAGGSA-N 2 0 245.367 -0.781 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3C(=O)NC[C@H]3C2)C1 ZINC000380065259 712684504 /nfs/dbraw/zinc/68/45/04/712684504.db2.gz YYOBEHGZFGQAQS-AXFHLTTASA-N 2 0 238.335 -0.177 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000380065270 712684568 /nfs/dbraw/zinc/68/45/68/712684568.db2.gz YYOBEHGZFGQAQS-HBNTYKKESA-N 2 0 238.335 -0.177 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)CCC[NH3+] ZINC000380069614 398183552 /nfs/dbraw/zinc/18/35/52/398183552.db2.gz CXNFADFFAHKIJH-MRVPVSSYSA-N 2 0 203.286 -0.843 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)CCC[NH3+] ZINC000380069615 398183502 /nfs/dbraw/zinc/18/35/02/398183502.db2.gz CXNFADFFAHKIJH-QMMMGPOBSA-N 2 0 203.286 -0.843 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000380070765 365849227 /nfs/dbraw/zinc/84/92/27/365849227.db2.gz DGAKKIPYZNCKKS-BDAKNGLRSA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000380070768 365849612 /nfs/dbraw/zinc/84/96/12/365849612.db2.gz DGAKKIPYZNCKKS-DTWKUNHWSA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000380070769 365849392 /nfs/dbraw/zinc/84/93/92/365849392.db2.gz DGAKKIPYZNCKKS-IUCAKERBSA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000380070770 365849182 /nfs/dbraw/zinc/84/91/82/365849182.db2.gz DGAKKIPYZNCKKS-RKDXNWHRSA-N 2 0 201.314 -0.059 20 0 BBADRP CCS(=O)(=O)NCCN(C)CCC[NH3+] ZINC000380097074 398184441 /nfs/dbraw/zinc/18/44/41/398184441.db2.gz KOUCGPRFNDMRAG-UHFFFAOYSA-N 2 0 223.342 -0.794 20 0 BBADRP C[NH2+]CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000380099365 398185750 /nfs/dbraw/zinc/18/57/50/398185750.db2.gz PEUSNQAXVAXRPS-JTQLQIEISA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH2+]CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000380099367 398185865 /nfs/dbraw/zinc/18/58/65/398185865.db2.gz PEUSNQAXVAXRPS-SNVBAGLBSA-N 2 0 211.309 -0.242 20 0 BBADRP CNS(=O)(=O)CCC[N@H+](C)CCC[NH3+] ZINC000380111533 398187436 /nfs/dbraw/zinc/18/74/36/398187436.db2.gz OHGDHKTZYAGSCQ-UHFFFAOYSA-N 2 0 223.342 -0.794 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC(C)(C)C[NH3+] ZINC000380114229 365889254 /nfs/dbraw/zinc/88/92/54/365889254.db2.gz OZUDOFPUQOOVEO-SSDOTTSWSA-N 2 0 203.286 -0.796 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC(C)(C)C[NH3+] ZINC000380114239 365889158 /nfs/dbraw/zinc/88/91/58/365889158.db2.gz OZUDOFPUQOOVEO-ZETCQYMHSA-N 2 0 203.286 -0.796 20 0 BBADRP C[C@H]1[NH2+]CCN(CCOCC[NH3+])[C@@H]1C ZINC000380126382 365892386 /nfs/dbraw/zinc/89/23/86/365892386.db2.gz RWESJZZESSXPIE-NXEZZACHSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@@H]1[NH2+]CCN(CCOCC[NH3+])[C@H]1C ZINC000380126384 365892380 /nfs/dbraw/zinc/89/23/80/365892380.db2.gz RWESJZZESSXPIE-UWVGGRQHSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1CCOCC[NH3+] ZINC000380126387 365892353 /nfs/dbraw/zinc/89/23/53/365892353.db2.gz RWESJZZESSXPIE-VHSXEESVSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@H]1[NH2+]CCN(CCOCC[NH3+])[C@H]1C ZINC000380126391 365892744 /nfs/dbraw/zinc/89/27/44/365892744.db2.gz RWESJZZESSXPIE-ZJUUUORDSA-N 2 0 201.314 -0.356 20 0 BBADRP CCC[NH2+]CCNC(=O)COCC[NH3+] ZINC000380158663 398189096 /nfs/dbraw/zinc/18/90/96/398189096.db2.gz ZXWNBHKDWLNGKM-UHFFFAOYSA-N 2 0 203.286 -0.923 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000380179502 343329031 /nfs/dbraw/zinc/32/90/31/343329031.db2.gz FWAIEEITEMTPSB-JGVFFNPUSA-N 2 0 203.286 -0.940 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000380179515 343340541 /nfs/dbraw/zinc/34/05/41/343340541.db2.gz FWAIEEITEMTPSB-SFYZADRCSA-N 2 0 203.286 -0.940 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000380179522 367153157 /nfs/dbraw/zinc/15/31/57/367153157.db2.gz FWAIEEITEMTPSB-YUMQZZPRSA-N 2 0 203.286 -0.940 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000380204600 711594531 /nfs/dbraw/zinc/59/45/31/711594531.db2.gz RYERJRAQFUSQDA-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)C[NH3+] ZINC000380261915 344735796 /nfs/dbraw/zinc/73/57/96/344735796.db2.gz RTKNMYUEVZONLI-HTQZYQBOSA-N 2 0 203.286 -0.939 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)C[NH3+] ZINC000380261916 367164671 /nfs/dbraw/zinc/16/46/71/367164671.db2.gz RTKNMYUEVZONLI-JGVFFNPUSA-N 2 0 203.286 -0.939 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)C[NH3+] ZINC000380261917 367164629 /nfs/dbraw/zinc/16/46/29/367164629.db2.gz RTKNMYUEVZONLI-SFYZADRCSA-N 2 0 203.286 -0.939 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)C[NH3+] ZINC000380261918 367164751 /nfs/dbraw/zinc/16/47/51/367164751.db2.gz RTKNMYUEVZONLI-YUMQZZPRSA-N 2 0 203.286 -0.939 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H](C[NH3+])OC ZINC000380266017 344240744 /nfs/dbraw/zinc/24/07/44/344240744.db2.gz UEOIIXDXDNUAGQ-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H](C[NH3+])OC ZINC000380266020 344240626 /nfs/dbraw/zinc/24/06/26/344240626.db2.gz UEOIIXDXDNUAGQ-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000380266854 343717013 /nfs/dbraw/zinc/71/70/13/343717013.db2.gz UMRNNIPAFLQXKG-MRVPVSSYSA-N 2 0 219.354 -0.126 20 0 BBADRP CN(CCOCC[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000380272403 345254393 /nfs/dbraw/zinc/25/43/93/345254393.db2.gz WSZSRVQEOMXHRP-JTQLQIEISA-N 2 0 201.314 -0.369 20 0 BBADRP CN(CCOCC[NH3+])[C@H](C[NH3+])C1CC1 ZINC000380272405 345254484 /nfs/dbraw/zinc/25/44/84/345254484.db2.gz WSZSRVQEOMXHRP-SNVBAGLBSA-N 2 0 201.314 -0.369 20 0 BBADRP COCC[NH2+]CCNC(=O)C[C@@H](C)[NH3+] ZINC000380285919 398340896 /nfs/dbraw/zinc/34/08/96/398340896.db2.gz AOTFKZVJCVILBB-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP COCC[NH2+]CCNC(=O)C[C@H](C)[NH3+] ZINC000380285922 398193135 /nfs/dbraw/zinc/19/31/35/398193135.db2.gz AOTFKZVJCVILBB-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP C[NH2+]C[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000380313737 346319794 /nfs/dbraw/zinc/31/97/94/346319794.db2.gz IBGYOPDGUNHZLM-JTQLQIEISA-N 3 0 201.314 -0.497 20 0 BBADRP C[NH2+]C[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000380313738 346319933 /nfs/dbraw/zinc/31/99/33/346319933.db2.gz IBGYOPDGUNHZLM-SNVBAGLBSA-N 3 0 201.314 -0.497 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000380327103 343980430 /nfs/dbraw/zinc/98/04/30/343980430.db2.gz MNWWIBRZCSVAOA-SSDOTTSWSA-N 2 0 219.354 -0.080 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H](C)C[NH2+]C ZINC000380342373 385657885 /nfs/dbraw/zinc/65/78/85/385657885.db2.gz RZXYEJKGFJRQKK-SECBINFHSA-N 2 0 201.314 -0.042 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H](C)C[NH2+]C ZINC000380342374 385657337 /nfs/dbraw/zinc/65/73/37/385657337.db2.gz RZXYEJKGFJRQKK-VIFPVBQESA-N 2 0 201.314 -0.042 20 0 BBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000380454278 712901020 /nfs/dbraw/zinc/90/10/20/712901020.db2.gz DEFBFTBBWSWYKE-GFCCVEGCSA-N 2 0 229.368 -0.065 20 0 BBADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](C)CC1 ZINC000380454805 712901118 /nfs/dbraw/zinc/90/11/18/712901118.db2.gz DEFBFTBBWSWYKE-LBPRGKRZSA-N 2 0 229.368 -0.065 20 0 BBADRP C[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000380458115 712900855 /nfs/dbraw/zinc/90/08/55/712900855.db2.gz ROKWWZLXJGVTHC-GFCCVEGCSA-N 2 0 227.352 -0.310 20 0 BBADRP C[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000380458118 712901011 /nfs/dbraw/zinc/90/10/11/712901011.db2.gz ROKWWZLXJGVTHC-LBPRGKRZSA-N 2 0 227.352 -0.310 20 0 BBADRP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000380578009 712901549 /nfs/dbraw/zinc/90/15/49/712901549.db2.gz PJSVPLVGGHHPLR-JTQLQIEISA-N 2 0 249.380 -0.452 20 0 BBADRP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000380578020 712901648 /nfs/dbraw/zinc/90/16/48/712901648.db2.gz PJSVPLVGGHHPLR-SNVBAGLBSA-N 2 0 249.380 -0.452 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1CCS(=O)(=O)N(C)C ZINC000380593520 373317637 /nfs/dbraw/zinc/31/76/37/373317637.db2.gz STDNFSSRDWAJAH-NXEZZACHSA-N 2 0 249.380 -0.453 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1CCS(=O)(=O)N(C)C ZINC000380593524 373317735 /nfs/dbraw/zinc/31/77/35/373317735.db2.gz STDNFSSRDWAJAH-UWVGGRQHSA-N 2 0 249.380 -0.453 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1CCS(=O)(=O)N(C)C ZINC000380593530 373317263 /nfs/dbraw/zinc/31/72/63/373317263.db2.gz STDNFSSRDWAJAH-VHSXEESVSA-N 2 0 249.380 -0.453 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1CCS(=O)(=O)N(C)C ZINC000380593538 373317552 /nfs/dbraw/zinc/31/75/52/373317552.db2.gz STDNFSSRDWAJAH-ZJUUUORDSA-N 2 0 249.380 -0.453 20 0 BBADRP CN(C)S(=O)(=O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380742433 387417889 /nfs/dbraw/zinc/41/78/89/387417889.db2.gz SEJIBCORBBYJFT-AOOOYVTPSA-N 2 0 247.364 -0.971 20 0 BBADRP CN(C)S(=O)(=O)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380837678 538993564 /nfs/dbraw/zinc/99/35/64/538993564.db2.gz SEJIBCORBBYJFT-NXEZZACHSA-N 2 0 247.364 -0.971 20 0 BBADRP CN(C)S(=O)(=O)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380837680 538993525 /nfs/dbraw/zinc/99/35/25/538993525.db2.gz SEJIBCORBBYJFT-UWVGGRQHSA-N 2 0 247.364 -0.971 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000380981827 398216081 /nfs/dbraw/zinc/21/60/81/398216081.db2.gz BDSVPOSTNPYDBQ-BDAKNGLRSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000380981840 398216109 /nfs/dbraw/zinc/21/61/09/398216109.db2.gz BDSVPOSTNPYDBQ-DTWKUNHWSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000380981843 398216503 /nfs/dbraw/zinc/21/65/03/398216503.db2.gz BDSVPOSTNPYDBQ-IUCAKERBSA-N 2 0 211.309 -0.162 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H]1C ZINC000380982067 367330160 /nfs/dbraw/zinc/33/01/60/367330160.db2.gz CONUBEFOKDLSIE-NEPJUHHUSA-N 2 0 229.368 -0.065 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H]1C ZINC000380982068 367329550 /nfs/dbraw/zinc/32/95/50/367329550.db2.gz CONUBEFOKDLSIE-NWDGAFQWSA-N 2 0 229.368 -0.065 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H]1C ZINC000380982069 367329492 /nfs/dbraw/zinc/32/94/92/367329492.db2.gz CONUBEFOKDLSIE-RYUDHWBXSA-N 2 0 229.368 -0.065 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H]1C ZINC000380982070 367329764 /nfs/dbraw/zinc/32/97/64/367329764.db2.gz CONUBEFOKDLSIE-VXGBXAGGSA-N 2 0 229.368 -0.065 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000380982146 398215802 /nfs/dbraw/zinc/21/58/02/398215802.db2.gz BDSVPOSTNPYDBQ-RKDXNWHRSA-N 2 0 211.309 -0.162 20 0 BBADRP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000380987670 385916872 /nfs/dbraw/zinc/91/68/72/385916872.db2.gz DJGPPZUKYIEGQH-SECBINFHSA-N 2 0 231.340 -0.457 20 0 BBADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000380987671 385917535 /nfs/dbraw/zinc/91/75/35/385917535.db2.gz DJGPPZUKYIEGQH-VIFPVBQESA-N 2 0 231.340 -0.457 20 0 BBADRP [NH3+]C[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000381014505 710596995 /nfs/dbraw/zinc/59/69/95/710596995.db2.gz UGEKDTZHFUSXLI-NEPJUHHUSA-N 3 0 227.352 -0.276 20 0 BBADRP [NH3+]C[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000381014515 710597116 /nfs/dbraw/zinc/59/71/16/710597116.db2.gz UGEKDTZHFUSXLI-NWDGAFQWSA-N 3 0 227.352 -0.276 20 0 BBADRP [NH3+]C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000381014789 710597535 /nfs/dbraw/zinc/59/75/35/710597535.db2.gz UGEKDTZHFUSXLI-RYUDHWBXSA-N 3 0 227.352 -0.276 20 0 BBADRP [NH3+]C[C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000381014794 710596743 /nfs/dbraw/zinc/59/67/43/710596743.db2.gz UGEKDTZHFUSXLI-VXGBXAGGSA-N 3 0 227.352 -0.276 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381022646 398219525 /nfs/dbraw/zinc/21/95/25/398219525.db2.gz AQLCJAHREPOTJN-IMSYWVGJSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000381033594 710598198 /nfs/dbraw/zinc/59/81/98/710598198.db2.gz AWLRAHBZEATAQL-PSASIEDQSA-N 2 0 215.272 -0.505 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000381033601 710598607 /nfs/dbraw/zinc/59/86/07/710598607.db2.gz AWLRAHBZEATAQL-SCZZXKLOSA-N 2 0 215.272 -0.505 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000381033602 710599253 /nfs/dbraw/zinc/59/92/53/710599253.db2.gz AWLRAHBZEATAQL-WCBMZHEXSA-N 2 0 215.272 -0.505 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000381033604 710598126 /nfs/dbraw/zinc/59/81/26/710598126.db2.gz AWLRAHBZEATAQL-WPRPVWTQSA-N 2 0 215.272 -0.505 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000381037926 398220066 /nfs/dbraw/zinc/22/00/66/398220066.db2.gz BQACOZKQFRHJNK-CIUDSAMLSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C[C@H](C)[NH3+])CCO1 ZINC000381038417 642860815 /nfs/dbraw/zinc/86/08/15/642860815.db2.gz BQACOZKQFRHJNK-DJLDLDEBSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000381038418 411284544 /nfs/dbraw/zinc/28/45/44/411284544.db2.gz BQACOZKQFRHJNK-XHNCKOQMSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C[C@H](C)[NH3+])CCO1 ZINC000381038423 411284398 /nfs/dbraw/zinc/28/43/98/411284398.db2.gz BQACOZKQFRHJNK-YIZRAAEISA-N 2 0 215.297 -0.702 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000381038771 343866628 /nfs/dbraw/zinc/86/66/28/343866628.db2.gz BUGMJTSQCZCQPI-DTWKUNHWSA-N 2 0 231.365 -0.080 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000381038773 367338963 /nfs/dbraw/zinc/33/89/63/367338963.db2.gz BUGMJTSQCZCQPI-IUCAKERBSA-N 2 0 231.365 -0.080 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)COCC[NH3+] ZINC000381043379 411284549 /nfs/dbraw/zinc/28/45/49/411284549.db2.gz CTHYTNMCQXRKDP-UHFFFAOYSA-N 2 0 217.313 -0.405 20 0 BBADRP [NH3+][C@@H](CC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000381046893 710599586 /nfs/dbraw/zinc/59/95/86/710599586.db2.gz DKKPZDBYHISBOE-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000381046894 710600128 /nfs/dbraw/zinc/60/01/28/710600128.db2.gz DKKPZDBYHISBOE-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H]1[NH3+] ZINC000381066876 710600876 /nfs/dbraw/zinc/60/08/76/710600876.db2.gz MZRAPTDWFZCZFW-GRYCIOLGSA-N 2 0 227.352 -0.278 20 0 BBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H]1[NH3+] ZINC000381066880 710600984 /nfs/dbraw/zinc/60/09/84/710600984.db2.gz MZRAPTDWFZCZFW-IJLUTSLNSA-N 2 0 227.352 -0.278 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381088610 487495095 /nfs/dbraw/zinc/49/50/95/487495095.db2.gz ULRLGHOPPWUTDV-GRYCIOLGSA-N 2 0 227.352 -0.550 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381088612 487495127 /nfs/dbraw/zinc/49/51/27/487495127.db2.gz ULRLGHOPPWUTDV-SRVKXCTJSA-N 2 0 227.352 -0.550 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381088614 487495285 /nfs/dbraw/zinc/49/52/85/487495285.db2.gz ULRLGHOPPWUTDV-TUAOUCFPSA-N 2 0 227.352 -0.550 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381088616 487495179 /nfs/dbraw/zinc/49/51/79/487495179.db2.gz ULRLGHOPPWUTDV-UTUOFQBUSA-N 2 0 227.352 -0.550 20 0 BBADRP C[C@H](C[NH3+])NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000381116959 367353468 /nfs/dbraw/zinc/35/34/68/367353468.db2.gz HNEQWSUQIXEXRL-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H](C[NH3+])NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000381116961 367353084 /nfs/dbraw/zinc/35/30/84/367353084.db2.gz HNEQWSUQIXEXRL-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000381118254 398222137 /nfs/dbraw/zinc/22/21/37/398222137.db2.gz HVYBUFLDGLGDIB-MRVPVSSYSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000381118256 398221921 /nfs/dbraw/zinc/22/19/21/398221921.db2.gz HVYBUFLDGLGDIB-QMMMGPOBSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000381149959 398228200 /nfs/dbraw/zinc/22/82/00/398228200.db2.gz OTMLUJGJGDLXDR-SECBINFHSA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000381149961 398228000 /nfs/dbraw/zinc/22/80/00/398228000.db2.gz OTMLUJGJGDLXDR-VIFPVBQESA-N 2 0 211.309 -0.066 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC)CC1 ZINC000381186559 344134803 /nfs/dbraw/zinc/13/48/03/344134803.db2.gz XSPFDOQZXMRZAZ-GFCCVEGCSA-N 2 0 229.368 -0.064 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC)CC1 ZINC000381186561 344135123 /nfs/dbraw/zinc/13/51/23/344135123.db2.gz XSPFDOQZXMRZAZ-LBPRGKRZSA-N 2 0 229.368 -0.064 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000381192845 344160212 /nfs/dbraw/zinc/16/02/12/344160212.db2.gz ZCWYCVHQHXCGAK-FXPVBKGRSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000381192846 344160209 /nfs/dbraw/zinc/16/02/09/344160209.db2.gz ZCWYCVHQHXCGAK-KKZNHRDASA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000381192847 344159746 /nfs/dbraw/zinc/15/97/46/344159746.db2.gz ZCWYCVHQHXCGAK-WCABBAIRSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000381192848 344159978 /nfs/dbraw/zinc/15/99/78/344159978.db2.gz ZCWYCVHQHXCGAK-YWVKMMECSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000381196219 710607500 /nfs/dbraw/zinc/60/75/00/710607500.db2.gz DRCUCSBWOPPCAB-NXEZZACHSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000381196222 710608089 /nfs/dbraw/zinc/60/80/89/710608089.db2.gz DRCUCSBWOPPCAB-UWVGGRQHSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000381196225 710608005 /nfs/dbraw/zinc/60/80/05/710608005.db2.gz DRCUCSBWOPPCAB-VHSXEESVSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000381196228 710608381 /nfs/dbraw/zinc/60/83/81/710608381.db2.gz DRCUCSBWOPPCAB-ZJUUUORDSA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381197002 344175409 /nfs/dbraw/zinc/17/54/09/344175409.db2.gz BGSHAMOARQRDKW-BBBLOLIVSA-N 2 0 211.309 -0.351 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381197008 344175561 /nfs/dbraw/zinc/17/55/61/344175561.db2.gz BGSHAMOARQRDKW-KXUCPTDWSA-N 2 0 211.309 -0.351 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000381197009 344175418 /nfs/dbraw/zinc/17/54/18/344175418.db2.gz BGSHAMOARQRDKW-OPRDCNLKSA-N 2 0 211.309 -0.351 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000381197018 367361430 /nfs/dbraw/zinc/36/14/30/367361430.db2.gz BGSHAMOARQRDKW-UTLUCORTSA-N 2 0 211.309 -0.351 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000381197603 710608154 /nfs/dbraw/zinc/60/81/54/710608154.db2.gz DVUPIWKCIKLFFX-QMMMGPOBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H](CNC[C@@H](O)C[N@H+](C)C1CC1)[NH+](C)C ZINC000381205916 367364775 /nfs/dbraw/zinc/36/47/75/367364775.db2.gz CSHBPXLTZCEZIG-CMPLNLGQSA-N 2 0 229.368 -0.019 20 0 BBADRP C[C@@H](CNC[C@H](O)C[N@H+](C)C1CC1)[NH+](C)C ZINC000381205922 367364266 /nfs/dbraw/zinc/36/42/66/367364266.db2.gz CSHBPXLTZCEZIG-JQWIXIFHSA-N 2 0 229.368 -0.019 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000381209144 398235567 /nfs/dbraw/zinc/23/55/67/398235567.db2.gz GWFHYPLDEHJSLC-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000381209146 398235458 /nfs/dbraw/zinc/23/54/58/398235458.db2.gz GWFHYPLDEHJSLC-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000381209148 398235348 /nfs/dbraw/zinc/23/53/48/398235348.db2.gz GWFHYPLDEHJSLC-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000381209152 398235358 /nfs/dbraw/zinc/23/53/58/398235358.db2.gz GWFHYPLDEHJSLC-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000381217994 355946178 /nfs/dbraw/zinc/94/61/78/355946178.db2.gz IHZHRWNVQIRAKA-HLTSFMKQSA-N 2 0 215.297 -0.654 20 0 BBADRP COC[C@]1(CNC(=O)[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000381224911 367367322 /nfs/dbraw/zinc/36/73/22/367367322.db2.gz JPVPWRCMIOQVDI-PSASIEDQSA-N 2 0 215.297 -0.782 20 0 BBADRP COC[C@@]1(CNC(=O)[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000381224912 367367685 /nfs/dbraw/zinc/36/76/85/367367685.db2.gz JPVPWRCMIOQVDI-SCZZXKLOSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000381226016 367367557 /nfs/dbraw/zinc/36/75/57/367367557.db2.gz JVYGDBLZTKINBW-BDAKNGLRSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000381226018 367367399 /nfs/dbraw/zinc/36/73/99/367367399.db2.gz JVYGDBLZTKINBW-DTWKUNHWSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000381226019 367367920 /nfs/dbraw/zinc/36/79/20/367367920.db2.gz JVYGDBLZTKINBW-IUCAKERBSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000381226021 367367930 /nfs/dbraw/zinc/36/79/30/367367930.db2.gz JVYGDBLZTKINBW-RKDXNWHRSA-N 2 0 215.297 -0.796 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)CCOC1C[NH2+]C1 ZINC000381229862 367367406 /nfs/dbraw/zinc/36/74/06/367367406.db2.gz KRHWIXYJAGTZAO-MRVPVSSYSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)CCOC1C[NH2+]C1 ZINC000381229864 367368038 /nfs/dbraw/zinc/36/80/38/367368038.db2.gz KRHWIXYJAGTZAO-QMMMGPOBSA-N 2 0 215.297 -0.830 20 0 BBADRP [NH3+][C@@H](CC(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000381235059 710610749 /nfs/dbraw/zinc/61/07/49/710610749.db2.gz LTGRAFREJWFXSQ-JTQLQIEISA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CC(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000381235062 710610710 /nfs/dbraw/zinc/61/07/10/710610710.db2.gz LTGRAFREJWFXSQ-SNVBAGLBSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000381235752 398239017 /nfs/dbraw/zinc/23/90/17/398239017.db2.gz LWMVWVMBBKTIFP-QCLAVDOMSA-N 2 0 209.293 -0.695 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000381235753 398239133 /nfs/dbraw/zinc/23/91/33/398239133.db2.gz LWMVWVMBBKTIFP-RGOKHQFPSA-N 2 0 209.293 -0.695 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000381243148 367370249 /nfs/dbraw/zinc/37/02/49/367370249.db2.gz NQTVSJXABHJHKV-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000381243155 344254871 /nfs/dbraw/zinc/25/48/71/344254871.db2.gz NQTVSJXABHJHKV-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000381243168 367370749 /nfs/dbraw/zinc/37/07/49/367370749.db2.gz NQTVSJXABHJHKV-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000381243170 367371018 /nfs/dbraw/zinc/37/10/18/367371018.db2.gz NQTVSJXABHJHKV-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000381243845 710611686 /nfs/dbraw/zinc/61/16/86/710611686.db2.gz NVFCXRSQJCSVCE-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000381243848 710611693 /nfs/dbraw/zinc/61/16/93/710611693.db2.gz NVFCXRSQJCSVCE-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000381243850 710611645 /nfs/dbraw/zinc/61/16/45/710611645.db2.gz NVFCXRSQJCSVCE-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000381243856 710611448 /nfs/dbraw/zinc/61/14/48/710611448.db2.gz NVFCXRSQJCSVCE-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP COC[C@@]1(CNC(=O)CC[NH3+])CCC[NH2+]1 ZINC000381249523 367370962 /nfs/dbraw/zinc/37/09/62/367370962.db2.gz PAYKXKHCRRCFBM-JTQLQIEISA-N 2 0 215.297 -0.780 20 0 BBADRP COC[C@]1(CNC(=O)CC[NH3+])CCC[NH2+]1 ZINC000381249526 367371090 /nfs/dbraw/zinc/37/10/90/367371090.db2.gz PAYKXKHCRRCFBM-SNVBAGLBSA-N 2 0 215.297 -0.780 20 0 BBADRP C[NH2+]CCCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000381254270 344294909 /nfs/dbraw/zinc/29/49/09/344294909.db2.gz QIGPHYFGFOXVTD-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH2+]CCCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000381254271 344295168 /nfs/dbraw/zinc/29/51/68/344295168.db2.gz QIGPHYFGFOXVTD-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000381255037 398253190 /nfs/dbraw/zinc/25/31/90/398253190.db2.gz QMRNSTPQGAVPSA-JTQLQIEISA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000381255038 398253175 /nfs/dbraw/zinc/25/31/75/398253175.db2.gz QMRNSTPQGAVPSA-SNVBAGLBSA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CCCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000381261761 398242297 /nfs/dbraw/zinc/24/22/97/398242297.db2.gz SHEFXWRWKBSDDW-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CCCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000381261763 398242171 /nfs/dbraw/zinc/24/21/71/398242171.db2.gz SHEFXWRWKBSDDW-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000381267995 344490253 /nfs/dbraw/zinc/49/02/53/344490253.db2.gz UQTHCRMKOAFEAS-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000381267996 344490409 /nfs/dbraw/zinc/49/04/09/344490409.db2.gz UQTHCRMKOAFEAS-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COCC[NH3+] ZINC000381272039 398249764 /nfs/dbraw/zinc/24/97/64/398249764.db2.gz VUZDCNXFELXDQA-BDAKNGLRSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)COCC[NH3+] ZINC000381272042 398249427 /nfs/dbraw/zinc/24/94/27/398249427.db2.gz VUZDCNXFELXDQA-DTWKUNHWSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COCC[NH3+] ZINC000381272044 398249771 /nfs/dbraw/zinc/24/97/71/398249771.db2.gz VUZDCNXFELXDQA-IUCAKERBSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COCC[NH3+] ZINC000381272045 398249768 /nfs/dbraw/zinc/24/97/68/398249768.db2.gz VUZDCNXFELXDQA-RKDXNWHRSA-N 2 0 215.297 -0.924 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000381272069 344491627 /nfs/dbraw/zinc/49/16/27/344491627.db2.gz VVYFCCHMBAITBW-JTQLQIEISA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000381272072 344491620 /nfs/dbraw/zinc/49/16/20/344491620.db2.gz VVYFCCHMBAITBW-SNVBAGLBSA-N 2 0 211.309 -0.161 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000381279274 344937014 /nfs/dbraw/zinc/93/70/14/344937014.db2.gz XSKGXLSLKQESQO-MRVPVSSYSA-N 2 0 217.313 -0.597 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000381279278 344937195 /nfs/dbraw/zinc/93/71/95/344937195.db2.gz XSKGXLSLKQESQO-QMMMGPOBSA-N 2 0 217.313 -0.597 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000381280792 345227143 /nfs/dbraw/zinc/22/71/43/345227143.db2.gz YCDPLDQMURANOG-HLTSFMKQSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@](C[NH3+])(NC(=O)C[NH2+]C1CC1)C1CC1 ZINC000381285545 367375120 /nfs/dbraw/zinc/37/51/20/367375120.db2.gz ZLJMIHLHKSIBBI-LLVKDONJSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)C[NH2+]C1CC1)C1CC1 ZINC000381285550 367374605 /nfs/dbraw/zinc/37/46/05/367374605.db2.gz ZLJMIHLHKSIBBI-NSHDSACASA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000381285731 398247494 /nfs/dbraw/zinc/24/74/94/398247494.db2.gz ZODJBVDEWJWKEN-PSASIEDQSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000381285734 398247655 /nfs/dbraw/zinc/24/76/55/398247655.db2.gz ZODJBVDEWJWKEN-SCZZXKLOSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@@H](CC(=O)NCC[NH2+]C1CC1)C1CC1 ZINC000381286915 710615716 /nfs/dbraw/zinc/61/57/16/710615716.db2.gz ZTALYODKHWCOJM-JTQLQIEISA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CC(=O)NCC[NH2+]C1CC1)C1CC1 ZINC000381286920 710615559 /nfs/dbraw/zinc/61/55/59/710615559.db2.gz ZTALYODKHWCOJM-SNVBAGLBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000381316478 345298362 /nfs/dbraw/zinc/29/83/62/345298362.db2.gz NHDQDQWALKPPEF-DTWKUNHWSA-N 2 0 231.365 -0.113 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000381316479 345298580 /nfs/dbraw/zinc/29/85/80/345298580.db2.gz NHDQDQWALKPPEF-RKDXNWHRSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000381328469 710622614 /nfs/dbraw/zinc/62/26/14/710622614.db2.gz SAOSJGQMMWJCFV-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000381328470 710622125 /nfs/dbraw/zinc/62/21/25/710622125.db2.gz SAOSJGQMMWJCFV-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000381335415 367382657 /nfs/dbraw/zinc/38/26/57/367382657.db2.gz VMWOYIYSBGYZCJ-BDAKNGLRSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000381335435 367382346 /nfs/dbraw/zinc/38/23/46/367382346.db2.gz VMWOYIYSBGYZCJ-DTWKUNHWSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000381335436 367382851 /nfs/dbraw/zinc/38/28/51/367382851.db2.gz VMWOYIYSBGYZCJ-IUCAKERBSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000381335437 356491608 /nfs/dbraw/zinc/49/16/08/356491608.db2.gz VMWOYIYSBGYZCJ-RKDXNWHRSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000381343505 344497319 /nfs/dbraw/zinc/49/73/19/344497319.db2.gz YCZKYJVKUQVVTM-JGVFFNPUSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)C[NH3+])CCO1 ZINC000381344837 398253692 /nfs/dbraw/zinc/25/36/92/398253692.db2.gz YQGUKTGPKUDNNC-HLTSFMKQSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000381344839 398253523 /nfs/dbraw/zinc/25/35/23/398253523.db2.gz YQGUKTGPKUDNNC-HRDYMLBCSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)C[NH3+])CCO1 ZINC000381344840 398253595 /nfs/dbraw/zinc/25/35/95/398253595.db2.gz YQGUKTGPKUDNNC-IWSPIJDZSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000381344841 398253668 /nfs/dbraw/zinc/25/36/68/398253668.db2.gz YQGUKTGPKUDNNC-VGMNWLOBSA-N 2 0 215.297 -0.844 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000381346647 367383978 /nfs/dbraw/zinc/38/39/78/367383978.db2.gz ZGRNSJGBVBFHHA-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000381346650 367384259 /nfs/dbraw/zinc/38/42/59/367384259.db2.gz ZGRNSJGBVBFHHA-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000381347789 367383994 /nfs/dbraw/zinc/38/39/94/367383994.db2.gz ZMRZDLIYAIKIIX-SECBINFHSA-N 2 0 217.313 -0.536 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000381347790 367385315 /nfs/dbraw/zinc/38/53/15/367385315.db2.gz ZMRZDLIYAIKIIX-VIFPVBQESA-N 2 0 217.313 -0.536 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000381347840 367385519 /nfs/dbraw/zinc/38/55/19/367385519.db2.gz ZOEAVHSYVDYYTC-WCBMZHEXSA-N 2 0 217.313 -0.550 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000381347841 367385690 /nfs/dbraw/zinc/38/56/90/367385690.db2.gz ZOEAVHSYVDYYTC-WPRPVWTQSA-N 2 0 217.313 -0.550 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381359219 487505210 /nfs/dbraw/zinc/50/52/10/487505210.db2.gz FDFPAZWZMUWKSN-ONGXEEELSA-N 2 0 211.309 -0.207 20 0 BBADRP CON(C)C(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381370440 710629803 /nfs/dbraw/zinc/62/98/03/710629803.db2.gz ICDVBFRPIBGJDE-AOOOYVTPSA-N 2 0 227.308 -0.453 20 0 BBADRP CON(C)C(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381370448 710629457 /nfs/dbraw/zinc/62/94/57/710629457.db2.gz ICDVBFRPIBGJDE-NXEZZACHSA-N 2 0 227.308 -0.453 20 0 BBADRP CON(C)C(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381370452 710629082 /nfs/dbraw/zinc/62/90/82/710629082.db2.gz ICDVBFRPIBGJDE-UWVGGRQHSA-N 2 0 227.308 -0.453 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000381378053 398254583 /nfs/dbraw/zinc/25/45/83/398254583.db2.gz KMDRWYHBRWWRFZ-NXEZZACHSA-N 2 0 211.309 -0.290 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000381378444 398254453 /nfs/dbraw/zinc/25/44/53/398254453.db2.gz KMDRWYHBRWWRFZ-UWVGGRQHSA-N 2 0 211.309 -0.290 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000381378446 398254593 /nfs/dbraw/zinc/25/45/93/398254593.db2.gz KMDRWYHBRWWRFZ-VHSXEESVSA-N 2 0 211.309 -0.290 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000381378453 398254480 /nfs/dbraw/zinc/25/44/80/398254480.db2.gz KMDRWYHBRWWRFZ-ZJUUUORDSA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000381379876 367391639 /nfs/dbraw/zinc/39/16/39/367391639.db2.gz KFIMOECCDXGDQE-GUBZILKMSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000381379885 367391464 /nfs/dbraw/zinc/39/14/64/367391464.db2.gz KFIMOECCDXGDQE-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381386666 367391545 /nfs/dbraw/zinc/39/15/45/367391545.db2.gz MGSFLBMQOGTGSI-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381386669 367391415 /nfs/dbraw/zinc/39/14/15/367391415.db2.gz MGSFLBMQOGTGSI-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381386670 367391261 /nfs/dbraw/zinc/39/12/61/367391261.db2.gz MGSFLBMQOGTGSI-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381386671 367391595 /nfs/dbraw/zinc/39/15/95/367391595.db2.gz MGSFLBMQOGTGSI-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000381400538 398255659 /nfs/dbraw/zinc/25/56/59/398255659.db2.gz ACZFBDQOZFMDKH-AXTSPUMRSA-N 2 0 209.293 -0.728 20 0 BBADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000381400541 398256067 /nfs/dbraw/zinc/25/60/67/398256067.db2.gz ACZFBDQOZFMDKH-IMSYWVGJSA-N 2 0 209.293 -0.728 20 0 BBADRP CC[NH2+]CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000381401755 710633036 /nfs/dbraw/zinc/63/30/36/710633036.db2.gz ALTWNKWFIZJQRK-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP CC[NH2+]CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000381401769 710633396 /nfs/dbraw/zinc/63/33/96/710633396.db2.gz ALTWNKWFIZJQRK-VIFPVBQESA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000381401809 367395319 /nfs/dbraw/zinc/39/53/19/367395319.db2.gz AMZJPVZQWGIDJG-SECBINFHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000381401814 356694631 /nfs/dbraw/zinc/69/46/31/356694631.db2.gz AMZJPVZQWGIDJG-VIFPVBQESA-N 2 0 213.325 -0.042 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381402510 398253712 /nfs/dbraw/zinc/25/37/12/398253712.db2.gz ARRBVONINIPPFL-MYJAWHEDSA-N 2 0 209.293 -0.680 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000381404419 367395398 /nfs/dbraw/zinc/39/53/98/367395398.db2.gz QWYKFXQYZWWDBW-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000381404421 367394697 /nfs/dbraw/zinc/39/46/97/367394697.db2.gz QWYKFXQYZWWDBW-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000381404423 345805581 /nfs/dbraw/zinc/80/55/81/345805581.db2.gz QWYKFXQYZWWDBW-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000381404425 345805358 /nfs/dbraw/zinc/80/53/58/345805358.db2.gz QWYKFXQYZWWDBW-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000381404480 345805187 /nfs/dbraw/zinc/80/51/87/345805187.db2.gz QXKRDVLHEWXESM-BQBZGAKWSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000381404481 345805615 /nfs/dbraw/zinc/80/56/15/345805615.db2.gz QXKRDVLHEWXESM-NKWVEPMBSA-N 2 0 221.251 -0.163 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000381405322 710632572 /nfs/dbraw/zinc/63/25/72/710632572.db2.gz RHDFPLUTSNHWBE-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000381405330 710632711 /nfs/dbraw/zinc/63/27/11/710632711.db2.gz RHDFPLUTSNHWBE-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000381407540 367394997 /nfs/dbraw/zinc/39/49/97/367394997.db2.gz RWQVVPATIYDJCW-NXEZZACHSA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000381407542 345808613 /nfs/dbraw/zinc/80/86/13/345808613.db2.gz RWQVVPATIYDJCW-UWVGGRQHSA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381407543 345808680 /nfs/dbraw/zinc/80/86/80/345808680.db2.gz RWQVVPATIYDJCW-VHSXEESVSA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381407544 345808207 /nfs/dbraw/zinc/80/82/07/345808207.db2.gz RWQVVPATIYDJCW-ZJUUUORDSA-N 2 0 211.309 -0.207 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000381422372 367400136 /nfs/dbraw/zinc/40/01/36/367400136.db2.gz WEAVBSJIZKXXLZ-DJLDLDEBSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000381422376 345847053 /nfs/dbraw/zinc/84/70/53/345847053.db2.gz WEAVBSJIZKXXLZ-HRDYMLBCSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381422378 345847354 /nfs/dbraw/zinc/84/73/54/345847354.db2.gz WEAVBSJIZKXXLZ-IWSPIJDZSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000381422383 367400759 /nfs/dbraw/zinc/40/07/59/367400759.db2.gz WEAVBSJIZKXXLZ-XHNCKOQMSA-N 2 0 215.297 -0.844 20 0 BBADRP CC[NH2+]CCNC(=O)COC1(C)C[NH2+]C1 ZINC000381422991 398257213 /nfs/dbraw/zinc/25/72/13/398257213.db2.gz XUZLMKVITVODOO-UHFFFAOYSA-N 2 0 215.297 -0.909 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000381430315 345867625 /nfs/dbraw/zinc/86/76/25/345867625.db2.gz BIHMIPVHXGRCQX-KOLCDFICSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000381430318 357091440 /nfs/dbraw/zinc/09/14/40/357091440.db2.gz BIHMIPVHXGRCQX-ONGXEEELSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)C[NH2+]C2CC2)[C@H]1C ZINC000381431166 345868724 /nfs/dbraw/zinc/86/87/24/345868724.db2.gz BOGCNUQREPUGOV-BDAKNGLRSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[NH2+]C1CC1 ZINC000381431167 345869248 /nfs/dbraw/zinc/86/92/48/345869248.db2.gz BOGCNUQREPUGOV-DTWKUNHWSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)C[NH2+]C2CC2)[C@H]1C ZINC000381431168 345868677 /nfs/dbraw/zinc/86/86/77/345868677.db2.gz BOGCNUQREPUGOV-IUCAKERBSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)C[NH2+]C2CC2)[C@@H]1C ZINC000381431169 345869118 /nfs/dbraw/zinc/86/91/18/345869118.db2.gz BOGCNUQREPUGOV-RKDXNWHRSA-N 2 0 211.309 -0.053 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000381432184 398257429 /nfs/dbraw/zinc/25/74/29/398257429.db2.gz WZCGIOKSGOVXQO-DJLDLDEBSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000381432186 398257243 /nfs/dbraw/zinc/25/72/43/398257243.db2.gz WZCGIOKSGOVXQO-HRDYMLBCSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000381432187 398257352 /nfs/dbraw/zinc/25/73/52/398257352.db2.gz WZCGIOKSGOVXQO-IWSPIJDZSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000381432188 398257297 /nfs/dbraw/zinc/25/72/97/398257297.db2.gz WZCGIOKSGOVXQO-XHNCKOQMSA-N 2 0 215.297 -0.831 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000381432472 367403420 /nfs/dbraw/zinc/40/34/20/367403420.db2.gz BUGMJTSQCZCQPI-BDAKNGLRSA-N 2 0 231.365 -0.080 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000381432473 367403323 /nfs/dbraw/zinc/40/33/23/367403323.db2.gz BUGMJTSQCZCQPI-RKDXNWHRSA-N 2 0 231.365 -0.080 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C[NH3+])OC ZINC000381433363 344505536 /nfs/dbraw/zinc/50/55/36/344505536.db2.gz XHHKCZIIWNYUCP-MRVPVSSYSA-N 2 0 217.313 -0.406 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@H](C[NH3+])OC ZINC000381433366 344505405 /nfs/dbraw/zinc/50/54/05/344505405.db2.gz XHHKCZIIWNYUCP-QMMMGPOBSA-N 2 0 217.313 -0.406 20 0 BBADRP [NH3+][C@@H](CC(F)F)C(=O)NCC1([NH3+])CCC1 ZINC000381442407 398257803 /nfs/dbraw/zinc/25/78/03/398257803.db2.gz ZTRSMKNOTLYCBF-LURJTMIESA-N 2 0 221.251 -0.034 20 0 BBADRP [NH3+][C@H](CC(F)F)C(=O)NCC1([NH3+])CCC1 ZINC000381442408 398257676 /nfs/dbraw/zinc/25/76/76/398257676.db2.gz ZTRSMKNOTLYCBF-ZCFIWIBFSA-N 2 0 221.251 -0.034 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000381445868 710637166 /nfs/dbraw/zinc/63/71/66/710637166.db2.gz FTUCKFNJFGBDKQ-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000381445869 710637694 /nfs/dbraw/zinc/63/76/94/710637694.db2.gz FTUCKFNJFGBDKQ-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)COC1(C)C[NH2+]C1 ZINC000381448747 398258143 /nfs/dbraw/zinc/25/81/43/398258143.db2.gz GRPMIRPOBKADSG-MRVPVSSYSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)COC1(C)C[NH2+]C1 ZINC000381448748 398258137 /nfs/dbraw/zinc/25/81/37/398258137.db2.gz GRPMIRPOBKADSG-QMMMGPOBSA-N 2 0 215.297 -0.924 20 0 BBADRP CN(CCC[NH3+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC000381450107 398258109 /nfs/dbraw/zinc/25/81/09/398258109.db2.gz HDEPQOWUIPARCR-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP CN(CCC[NH3+])C(=O)C[C@H]1COCC[NH2+]1 ZINC000381450109 398258178 /nfs/dbraw/zinc/25/81/78/398258178.db2.gz HDEPQOWUIPARCR-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000381450127 367408039 /nfs/dbraw/zinc/40/80/39/367408039.db2.gz HDKNGGZRINLRSS-LLVKDONJSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000381450129 367407992 /nfs/dbraw/zinc/40/79/92/367407992.db2.gz HDKNGGZRINLRSS-NSHDSACASA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000381450536 344506875 /nfs/dbraw/zinc/50/68/75/344506875.db2.gz HFMMVJIHWKFLLT-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000381450537 345923872 /nfs/dbraw/zinc/92/38/72/345923872.db2.gz HFMMVJIHWKFLLT-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(F)(F)CN ZINC000381466773 345978056 /nfs/dbraw/zinc/97/80/56/345978056.db2.gz MTLZPORPPJEDEX-BQBZGAKWSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(F)(F)CN ZINC000381466776 345977956 /nfs/dbraw/zinc/97/79/56/345977956.db2.gz MTLZPORPPJEDEX-NKWVEPMBSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC(F)(F)CN ZINC000381466777 345977942 /nfs/dbraw/zinc/97/79/42/345977942.db2.gz MTLZPORPPJEDEX-RNFRBKRXSA-N 2 0 221.251 -0.305 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(F)(F)CN ZINC000381466779 345978160 /nfs/dbraw/zinc/97/81/60/345978160.db2.gz MTLZPORPPJEDEX-RQJHMYQMSA-N 2 0 221.251 -0.305 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)COCC[NH3+] ZINC000381466872 398258725 /nfs/dbraw/zinc/25/87/25/398258725.db2.gz MWSBUBTUXJAGHH-SECBINFHSA-N 2 0 217.313 -0.549 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)COCC[NH3+] ZINC000381466876 398258754 /nfs/dbraw/zinc/25/87/54/398258754.db2.gz MWSBUBTUXJAGHH-VIFPVBQESA-N 2 0 217.313 -0.549 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381468987 367414113 /nfs/dbraw/zinc/41/41/13/367414113.db2.gz NOXVESSKIUYYQR-IVZWLZJFSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381468988 367413488 /nfs/dbraw/zinc/41/34/88/367413488.db2.gz NOXVESSKIUYYQR-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000381468989 367413580 /nfs/dbraw/zinc/41/35/80/367413580.db2.gz NOXVESSKIUYYQR-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000381468990 367413945 /nfs/dbraw/zinc/41/39/45/367413945.db2.gz NOXVESSKIUYYQR-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]CCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000381478391 398259306 /nfs/dbraw/zinc/25/93/06/398259306.db2.gz BFVMMWYECMYOEN-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]CCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000381478392 398259277 /nfs/dbraw/zinc/25/92/77/398259277.db2.gz BFVMMWYECMYOEN-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]CCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000381478393 398259121 /nfs/dbraw/zinc/25/91/21/398259121.db2.gz BFVMMWYECMYOEN-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]CCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000381478395 398259132 /nfs/dbraw/zinc/25/91/32/398259132.db2.gz BFVMMWYECMYOEN-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000381478428 398259436 /nfs/dbraw/zinc/25/94/36/398259436.db2.gz BHPYMWCUWCIXQU-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000381478430 398259425 /nfs/dbraw/zinc/25/94/25/398259425.db2.gz BHPYMWCUWCIXQU-VIFPVBQESA-N 2 0 211.309 -0.146 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000381480914 346032994 /nfs/dbraw/zinc/03/29/94/346032994.db2.gz SPXMOYNIPHHVTR-RKDXNWHRSA-N 2 0 231.365 -0.065 20 0 BBADRP O=C(C[NH2+]C1CC1)N[C@H]1CCC[NH2+]CC1 ZINC000381481742 398253728 /nfs/dbraw/zinc/25/37/28/398253728.db2.gz FCLGCGOKOKIPJQ-JTQLQIEISA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[NH2+]C1CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000381481748 398253677 /nfs/dbraw/zinc/25/36/77/398253677.db2.gz FCLGCGOKOKIPJQ-SNVBAGLBSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000381482704 710644717 /nfs/dbraw/zinc/64/47/17/710644717.db2.gz FQOHYMVBPOXPRN-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000381482705 710644742 /nfs/dbraw/zinc/64/47/42/710644742.db2.gz FQOHYMVBPOXPRN-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000381483307 357345416 /nfs/dbraw/zinc/34/54/16/357345416.db2.gz UFZVFWIOJOTGOU-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000381483308 367415952 /nfs/dbraw/zinc/41/59/52/367415952.db2.gz UFZVFWIOJOTGOU-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000381483500 398259000 /nfs/dbraw/zinc/25/90/00/398259000.db2.gz UHFCBBYOQRRGBN-HRDYMLBCSA-N 2 0 215.297 -0.702 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000381483502 398259241 /nfs/dbraw/zinc/25/92/41/398259241.db2.gz UHFCBBYOQRRGBN-VGMNWLOBSA-N 2 0 215.297 -0.702 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000381483504 398259176 /nfs/dbraw/zinc/25/91/76/398259176.db2.gz UHFCBBYOQRRGBN-XHNCKOQMSA-N 2 0 215.297 -0.702 20 0 BBADRP C[NH2+]CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000381484367 367416418 /nfs/dbraw/zinc/41/64/18/367416418.db2.gz HDLABATYQSGYDJ-SECBINFHSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000381484369 357346615 /nfs/dbraw/zinc/34/66/15/357346615.db2.gz HDLABATYQSGYDJ-VIFPVBQESA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]CCN(C)C(=O)c1c[nH+]ccc1N ZINC000381484784 398259471 /nfs/dbraw/zinc/25/94/71/398259471.db2.gz UUCDPZZHRRZNFF-UHFFFAOYSA-N 2 0 208.265 -0.214 20 0 BBADRP O=C(CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000381487220 398259900 /nfs/dbraw/zinc/25/99/00/398259900.db2.gz JQZOOLSLTQLECR-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000381487222 398259751 /nfs/dbraw/zinc/25/97/51/398259751.db2.gz JQZOOLSLTQLECR-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000381488474 346038154 /nfs/dbraw/zinc/03/81/54/346038154.db2.gz LCSAZOGIUURZPZ-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000381488475 346038233 /nfs/dbraw/zinc/03/82/33/346038233.db2.gz LCSAZOGIUURZPZ-VHSXEESVSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000381490888 367418333 /nfs/dbraw/zinc/41/83/33/367418333.db2.gz XOIJRYWLILRHTJ-BDAKNGLRSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000381490889 346047980 /nfs/dbraw/zinc/04/79/80/346047980.db2.gz XOIJRYWLILRHTJ-DTWKUNHWSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000381490891 346048596 /nfs/dbraw/zinc/04/85/96/346048596.db2.gz XOIJRYWLILRHTJ-IUCAKERBSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000381490892 346048508 /nfs/dbraw/zinc/04/85/08/346048508.db2.gz XOIJRYWLILRHTJ-RKDXNWHRSA-N 2 0 215.297 -0.924 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H](C[NH3+])OC ZINC000381492270 346074689 /nfs/dbraw/zinc/07/46/89/346074689.db2.gz YMHFZRZTTXNMPF-BDAKNGLRSA-N 2 0 217.313 -0.536 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C[C@H](C[NH3+])OC ZINC000381492271 346074521 /nfs/dbraw/zinc/07/45/21/346074521.db2.gz YMHFZRZTTXNMPF-RKDXNWHRSA-N 2 0 217.313 -0.536 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000381496013 398257775 /nfs/dbraw/zinc/25/77/75/398257775.db2.gz BFNHECNJCRHVMJ-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000381496014 398257853 /nfs/dbraw/zinc/25/78/53/398257853.db2.gz BFNHECNJCRHVMJ-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000381498329 346156554 /nfs/dbraw/zinc/15/65/54/346156554.db2.gz BUXCEOVOMIBAIO-KOLCDFICSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000381498330 346156678 /nfs/dbraw/zinc/15/66/78/346156678.db2.gz BUXCEOVOMIBAIO-MWLCHTKSSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[NH2+]C1CC1)NCC[C@H]1CCC[NH2+]1 ZINC000381498869 367420395 /nfs/dbraw/zinc/42/03/95/367420395.db2.gz NSYIBYAZPBZFOI-SECBINFHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@]1(F)CC[NH2+]C1 ZINC000381504935 710648234 /nfs/dbraw/zinc/64/82/34/710648234.db2.gz RQUBYNQGQZBSFG-CHIQAWFVSA-N 2 0 213.256 -0.978 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@]1(F)CC[NH2+]C1 ZINC000381504938 710648037 /nfs/dbraw/zinc/64/80/37/710648037.db2.gz RQUBYNQGQZBSFG-WHQQTDPMSA-N 2 0 213.256 -0.978 20 0 BBADRP O=C(C[NH2+]C1CC1)NCC1=CC[NH2+]CC1 ZINC000381506727 367421333 /nfs/dbraw/zinc/42/13/33/367421333.db2.gz SVLREHXPXLHCGU-UHFFFAOYSA-N 2 0 209.293 -0.226 20 0 BBADRP C[NH2+]CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000381512200 710649437 /nfs/dbraw/zinc/64/94/37/710649437.db2.gz XNMFMNJUXYGZRE-UHFFFAOYSA-N 2 0 211.309 -0.192 20 0 BBADRP CC[NH2+]CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000381512463 710648773 /nfs/dbraw/zinc/64/87/73/710648773.db2.gz XQWIFNTZAGDAQH-AOOOYVTPSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000381513654 398261209 /nfs/dbraw/zinc/26/12/09/398261209.db2.gz YSOBXJNIIIZNJC-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000381513655 398261005 /nfs/dbraw/zinc/26/10/05/398261005.db2.gz YSOBXJNIIIZNJC-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000381514674 344515395 /nfs/dbraw/zinc/51/53/95/344515395.db2.gz ZNBASFOGOUFKDX-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000381514675 344515243 /nfs/dbraw/zinc/51/52/43/344515243.db2.gz ZNBASFOGOUFKDX-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP [NH3+]CCOCCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000381531002 344518073 /nfs/dbraw/zinc/51/80/73/344518073.db2.gz ZBCAOFKDIASJJO-LLVKDONJSA-N 2 0 213.325 -0.212 20 0 BBADRP [NH3+]CCOCCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000381531003 344518113 /nfs/dbraw/zinc/51/81/13/344518113.db2.gz ZBCAOFKDIASJJO-NSHDSACASA-N 2 0 213.325 -0.212 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000381535201 398262665 /nfs/dbraw/zinc/26/26/65/398262665.db2.gz FBEMWTMGCWTDBQ-KXUCPTDWSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000381535202 398262790 /nfs/dbraw/zinc/26/27/90/398262790.db2.gz FBEMWTMGCWTDBQ-OPRDCNLKSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+]CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000381535974 398262615 /nfs/dbraw/zinc/26/26/15/398262615.db2.gz FMCYYIBZDPPAJM-UHFFFAOYSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000381536374 367426408 /nfs/dbraw/zinc/42/64/08/367426408.db2.gz FSWQOSSFWODXKY-KXUCPTDWSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000381536388 346290301 /nfs/dbraw/zinc/29/03/01/346290301.db2.gz FSWQOSSFWODXKY-OPRDCNLKSA-N 2 0 211.309 -0.005 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000381536404 710652808 /nfs/dbraw/zinc/65/28/08/710652808.db2.gz GYHQAIKNQNAZQX-PSASIEDQSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000381536416 710652999 /nfs/dbraw/zinc/65/29/99/710652999.db2.gz GYHQAIKNQNAZQX-SCZZXKLOSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000381536418 710652590 /nfs/dbraw/zinc/65/25/90/710652590.db2.gz GYHQAIKNQNAZQX-WCBMZHEXSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000381536419 710653005 /nfs/dbraw/zinc/65/30/05/710653005.db2.gz GYHQAIKNQNAZQX-WPRPVWTQSA-N 2 0 217.288 -0.213 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000381539221 710652634 /nfs/dbraw/zinc/65/26/34/710652634.db2.gz HXCPBBRRGZHILC-OUAUKWLOSA-N 2 0 213.325 -0.227 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000381539903 346300031 /nfs/dbraw/zinc/30/00/31/346300031.db2.gz IFYFVVJZISETGN-MRVPVSSYSA-N 2 0 231.365 -0.065 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000381539906 346300335 /nfs/dbraw/zinc/30/03/35/346300335.db2.gz IFYFVVJZISETGN-QMMMGPOBSA-N 2 0 231.365 -0.065 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381550709 398263263 /nfs/dbraw/zinc/26/32/63/398263263.db2.gz AAHDUWHPXOFFQW-MYJAWHEDSA-N 2 0 211.309 -0.432 20 0 BBADRP C[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000381556641 346344457 /nfs/dbraw/zinc/34/44/57/346344457.db2.gz PGYKAQUDOSHDBJ-PSASIEDQSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000381556642 344520230 /nfs/dbraw/zinc/52/02/30/344520230.db2.gz PGYKAQUDOSHDBJ-SCZZXKLOSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@H](C(=O)NC[C@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000381556643 344520421 /nfs/dbraw/zinc/52/04/21/344520421.db2.gz PGYKAQUDOSHDBJ-WCBMZHEXSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000381556645 344520325 /nfs/dbraw/zinc/52/03/25/344520325.db2.gz PGYKAQUDOSHDBJ-WPRPVWTQSA-N 2 0 211.309 -0.290 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000381560829 346352245 /nfs/dbraw/zinc/35/22/45/346352245.db2.gz QFSNTBJPLGYYCT-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000381560830 346352162 /nfs/dbraw/zinc/35/21/62/346352162.db2.gz QFSNTBJPLGYYCT-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381560940 367431268 /nfs/dbraw/zinc/43/12/68/367431268.db2.gz QIWBSUNPNQLUEL-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381560941 346352251 /nfs/dbraw/zinc/35/22/51/346352251.db2.gz QIWBSUNPNQLUEL-DTWKUNHWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381560942 346352067 /nfs/dbraw/zinc/35/20/67/346352067.db2.gz QIWBSUNPNQLUEL-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381560944 346351941 /nfs/dbraw/zinc/35/19/41/346351941.db2.gz QIWBSUNPNQLUEL-RKDXNWHRSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000381563193 346355978 /nfs/dbraw/zinc/35/59/78/346355978.db2.gz RCPSDEHDWWJRJL-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000381563200 357504174 /nfs/dbraw/zinc/50/41/74/357504174.db2.gz RCPSDEHDWWJRJL-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)c1csc(CC[NH3+])n1 ZINC000381569332 710656476 /nfs/dbraw/zinc/65/64/76/710656476.db2.gz VBLKFEBLAIKQMF-LURJTMIESA-N 2 0 228.321 -0.279 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381570026 398263654 /nfs/dbraw/zinc/26/36/54/398263654.db2.gz WRBMHRJDPBEAGB-AXTSPUMRSA-N 2 0 209.293 -0.680 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381570027 397759601 /nfs/dbraw/zinc/75/96/01/397759601.db2.gz WRBMHRJDPBEAGB-IMSYWVGJSA-N 2 0 209.293 -0.680 20 0 BBADRP Nc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)ccn1 ZINC000381571795 539004317 /nfs/dbraw/zinc/00/43/17/539004317.db2.gz WEXHMXGPIBRKNL-AOOOYVTPSA-N 2 0 223.276 -0.578 20 0 BBADRP CC[C@]1(C(=O)NCC2C[NH2+]C2)CCC[NH2+]1 ZINC000381575982 398263648 /nfs/dbraw/zinc/26/36/48/398263648.db2.gz ZXWVBAGUTQOVMI-LLVKDONJSA-N 2 0 211.309 -0.146 20 0 BBADRP CC[C@@]1(C(=O)NCC2C[NH2+]C2)CCC[NH2+]1 ZINC000381575984 398263742 /nfs/dbraw/zinc/26/37/42/398263742.db2.gz ZXWVBAGUTQOVMI-NSHDSACASA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000381576390 346380258 /nfs/dbraw/zinc/38/02/58/346380258.db2.gz CJWGVDMHMUMXNX-KOLCDFICSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000381576395 367432306 /nfs/dbraw/zinc/43/23/06/367432306.db2.gz CJWGVDMHMUMXNX-MWLCHTKSSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000381576942 398263657 /nfs/dbraw/zinc/26/36/57/398263657.db2.gz CPWKIMZHLSYUHM-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+]C1(CNC(=O)C[C@H]2CC[NH2+]C2)CCC1 ZINC000381579284 398264903 /nfs/dbraw/zinc/26/49/03/398264903.db2.gz ZQUPHRXHUHFVQR-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000381579987 398264822 /nfs/dbraw/zinc/26/48/22/398264822.db2.gz FBEMWTMGCWTDBQ-IVZWLZJFSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000381579988 398264939 /nfs/dbraw/zinc/26/49/39/398264939.db2.gz FBEMWTMGCWTDBQ-LPEHRKFASA-N 2 0 211.309 -0.053 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000381579999 346383658 /nfs/dbraw/zinc/38/36/58/346383658.db2.gz ZXMDEYVQECEQSS-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000381580001 346383399 /nfs/dbraw/zinc/38/33/99/346383399.db2.gz ZXMDEYVQECEQSS-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[NH2+]CC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000381582299 367432253 /nfs/dbraw/zinc/43/22/53/367432253.db2.gz FWVOSQMCWNTCKZ-JTQLQIEISA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000381582302 367432462 /nfs/dbraw/zinc/43/24/62/367432462.db2.gz FWVOSQMCWNTCKZ-SNVBAGLBSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000381584167 398264622 /nfs/dbraw/zinc/26/46/22/398264622.db2.gz GRZLEMAWPASRTC-AXTSPUMRSA-N 2 0 209.293 -0.728 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000381584169 398264935 /nfs/dbraw/zinc/26/49/35/398264935.db2.gz GRZLEMAWPASRTC-IMSYWVGJSA-N 2 0 209.293 -0.728 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000381587826 398254330 /nfs/dbraw/zinc/25/43/30/398254330.db2.gz IHJODISTUJRQEU-BDAKNGLRSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000381587827 398265308 /nfs/dbraw/zinc/26/53/08/398265308.db2.gz IHJODISTUJRQEU-DTWKUNHWSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000381587828 398265122 /nfs/dbraw/zinc/26/51/22/398265122.db2.gz IHJODISTUJRQEU-IUCAKERBSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000381587829 398265413 /nfs/dbraw/zinc/26/54/13/398265413.db2.gz IHJODISTUJRQEU-RKDXNWHRSA-N 2 0 211.309 -0.147 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000381588457 346391747 /nfs/dbraw/zinc/39/17/47/346391747.db2.gz FJDVRWAZYDWSRK-DJLDLDEBSA-N 2 0 215.297 -0.926 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000381588458 346392026 /nfs/dbraw/zinc/39/20/26/346392026.db2.gz FJDVRWAZYDWSRK-HRDYMLBCSA-N 2 0 215.297 -0.926 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000381588460 346392250 /nfs/dbraw/zinc/39/22/50/346392250.db2.gz FJDVRWAZYDWSRK-IWSPIJDZSA-N 2 0 215.297 -0.926 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000381588462 346391758 /nfs/dbraw/zinc/39/17/58/346391758.db2.gz FJDVRWAZYDWSRK-XHNCKOQMSA-N 2 0 215.297 -0.926 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000381589264 398265362 /nfs/dbraw/zinc/26/53/62/398265362.db2.gz ITBCTWXDTYEOOC-SECBINFHSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000381589266 398265249 /nfs/dbraw/zinc/26/52/49/398265249.db2.gz ITBCTWXDTYEOOC-VIFPVBQESA-N 2 0 211.309 -0.147 20 0 BBADRP CN(CCC[NH3+])C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000381591591 398254385 /nfs/dbraw/zinc/25/43/85/398254385.db2.gz GXCRXDUGTWEDAO-SECBINFHSA-N 2 0 231.365 -0.111 20 0 BBADRP CN(CCC[NH3+])C(=O)C[C@H]1CSCC[NH2+]1 ZINC000381591595 398254370 /nfs/dbraw/zinc/25/43/70/398254370.db2.gz GXCRXDUGTWEDAO-VIFPVBQESA-N 2 0 231.365 -0.111 20 0 BBADRP CN(C(=O)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000381594531 346399359 /nfs/dbraw/zinc/39/93/59/346399359.db2.gz KXPAZMYDRZCXRZ-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000381594532 346399484 /nfs/dbraw/zinc/39/94/84/346399484.db2.gz KXPAZMYDRZCXRZ-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000381595217 397762182 /nfs/dbraw/zinc/76/21/82/397762182.db2.gz LIMRSTOPJNPWPV-LPEHRKFASA-N 2 0 211.309 -0.053 20 0 BBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCOCCO)C[C@@H]2C1 ZINC000381605625 710661694 /nfs/dbraw/zinc/66/16/94/710661694.db2.gz IHWKUIFKUMSZMB-NEPJUHHUSA-N 2 0 228.336 -0.121 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000381611910 398266881 /nfs/dbraw/zinc/26/68/81/398266881.db2.gz SNRDTOKBDJWJMN-KDXUFGMBSA-N 2 0 209.293 -0.682 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000381611912 397765549 /nfs/dbraw/zinc/76/55/49/397765549.db2.gz SNRDTOKBDJWJMN-RYPBNFRJSA-N 2 0 209.293 -0.682 20 0 BBADRP C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000381617402 367439169 /nfs/dbraw/zinc/43/91/69/367439169.db2.gz WGRLITCOLDJBCW-SJQPAMGKSA-N 2 0 209.293 -0.538 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000381617404 367438966 /nfs/dbraw/zinc/43/89/66/367438966.db2.gz WGRLITCOLDJBCW-UYAYMFIHSA-N 2 0 209.293 -0.538 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000381617746 346442834 /nfs/dbraw/zinc/44/28/34/346442834.db2.gz WJKOUYZVDHYKLT-AEJSXWLSSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000381617748 346442958 /nfs/dbraw/zinc/44/29/58/346442958.db2.gz WJKOUYZVDHYKLT-GUBZILKMSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000381617752 346443090 /nfs/dbraw/zinc/44/30/90/346443090.db2.gz WJKOUYZVDHYKLT-IVZWLZJFSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000381617755 346442605 /nfs/dbraw/zinc/44/26/05/346442605.db2.gz WJKOUYZVDHYKLT-LPEHRKFASA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H](NC(=O)[C@H]1CC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000381618271 346445209 /nfs/dbraw/zinc/44/52/09/346445209.db2.gz WUIMLELEBOLGCZ-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000381618272 346444861 /nfs/dbraw/zinc/44/48/61/346444861.db2.gz WUIMLELEBOLGCZ-KXUCPTDWSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H](NC(=O)[C@H]1CC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000381618273 346445116 /nfs/dbraw/zinc/44/51/16/346445116.db2.gz WUIMLELEBOLGCZ-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000381618274 346445186 /nfs/dbraw/zinc/44/51/86/346445186.db2.gz WUIMLELEBOLGCZ-OPRDCNLKSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000381618503 397769361 /nfs/dbraw/zinc/76/93/61/397769361.db2.gz XBQBLSACPFYBAW-IMSYWVGJSA-N 2 0 209.293 -0.728 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381618667 346447206 /nfs/dbraw/zinc/44/72/06/346447206.db2.gz XFJCBCYOKRHLDH-IVZWLZJFSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381618668 346446680 /nfs/dbraw/zinc/44/66/80/346446680.db2.gz XFJCBCYOKRHLDH-KXUCPTDWSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000381618669 346446879 /nfs/dbraw/zinc/44/68/79/346446879.db2.gz XFJCBCYOKRHLDH-LPEHRKFASA-N 2 0 209.293 -0.584 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000381618670 346446590 /nfs/dbraw/zinc/44/65/90/346446590.db2.gz XFJCBCYOKRHLDH-OPRDCNLKSA-N 2 0 209.293 -0.584 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000381620606 346454013 /nfs/dbraw/zinc/45/40/13/346454013.db2.gz ZACPPBODBOUIEO-NXEZZACHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000381620608 346454302 /nfs/dbraw/zinc/45/43/02/346454302.db2.gz ZACPPBODBOUIEO-ZJUUUORDSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000381620890 346456856 /nfs/dbraw/zinc/45/68/56/346456856.db2.gz ZISAJHOHFSDSDL-SECBINFHSA-N 2 0 211.309 -0.122 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000381620894 346456499 /nfs/dbraw/zinc/45/64/99/346456499.db2.gz ZISAJHOHFSDSDL-VIFPVBQESA-N 2 0 211.309 -0.122 20 0 BBADRP O=C(NCC[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000381622008 397770907 /nfs/dbraw/zinc/77/09/07/397770907.db2.gz CTEWGGSGGCQTOC-UHFFFAOYSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000381622770 398267334 /nfs/dbraw/zinc/26/73/34/398267334.db2.gz FABYYVOHNMTGJH-UWVGGRQHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000381622771 398267269 /nfs/dbraw/zinc/26/72/69/398267269.db2.gz FABYYVOHNMTGJH-VHSXEESVSA-N 2 0 211.309 -0.003 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381624088 398267325 /nfs/dbraw/zinc/26/73/25/398267325.db2.gz KCJHWVNYQGWNPS-QCLAVDOMSA-N 2 0 211.309 -0.449 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381624089 398267256 /nfs/dbraw/zinc/26/72/56/398267256.db2.gz KCJHWVNYQGWNPS-RGOKHQFPSA-N 2 0 211.309 -0.449 20 0 BBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000381631553 710664438 /nfs/dbraw/zinc/66/44/38/710664438.db2.gz MXMLNIPEKYPJMA-QJPTWQEYSA-N 2 0 228.336 -0.123 20 0 BBADRP [NH3+]CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000381633009 346491125 /nfs/dbraw/zinc/49/11/25/346491125.db2.gz NJPVGURVMPQTJH-YFKPBYRVSA-N 2 0 226.305 -0.144 20 0 BBADRP [NH3+]CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000381634275 346496273 /nfs/dbraw/zinc/49/62/73/346496273.db2.gz NQIOPQOJCXNWIL-JTQLQIEISA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000381634278 346496310 /nfs/dbraw/zinc/49/63/10/346496310.db2.gz NQIOPQOJCXNWIL-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP CC[NH2+]CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000381637788 710665852 /nfs/dbraw/zinc/66/58/52/710665852.db2.gz XSWJLSGLLPFVHG-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP CC[NH2+]CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000381637789 710666053 /nfs/dbraw/zinc/66/60/53/710666053.db2.gz XSWJLSGLLPFVHG-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NCC1C[NH2+]C1 ZINC000381650223 398268445 /nfs/dbraw/zinc/26/84/45/398268445.db2.gz RPVVDNMNEZMCES-UHFFFAOYSA-N 2 0 206.249 -0.557 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NCCCC[NH3+] ZINC000381657077 367444848 /nfs/dbraw/zinc/44/48/48/367444848.db2.gz TZNLMMQOTMFFQL-UHFFFAOYSA-N 2 0 208.265 -0.037 20 0 BBADRP [NH3+]CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000381659830 710669490 /nfs/dbraw/zinc/66/94/90/710669490.db2.gz UMXNGENNXAEMEG-SECBINFHSA-N 2 0 215.297 -0.780 20 0 BBADRP [NH3+]CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000381659831 710668581 /nfs/dbraw/zinc/66/85/81/710668581.db2.gz UMXNGENNXAEMEG-VIFPVBQESA-N 2 0 215.297 -0.780 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000381660092 398269104 /nfs/dbraw/zinc/26/91/04/398269104.db2.gz UPJBNLIMBRCWAD-PSASIEDQSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000381660099 398269073 /nfs/dbraw/zinc/26/90/73/398269073.db2.gz UPJBNLIMBRCWAD-SCZZXKLOSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000381690101 367447676 /nfs/dbraw/zinc/44/76/76/367447676.db2.gz ZNYKJURKVMDTBP-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000381701398 367449120 /nfs/dbraw/zinc/44/91/20/367449120.db2.gz INKMAZQFJOWOAP-IWSPIJDZSA-N 2 0 215.297 -0.783 20 0 BBADRP CN(C[C@H](O)C[NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000381717094 710684321 /nfs/dbraw/zinc/68/43/21/710684321.db2.gz LHZJXZXDFWEEIS-NEPJUHHUSA-N 2 0 228.336 -0.198 20 0 BBADRP CN(C[C@@H](O)C[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000381717103 710684524 /nfs/dbraw/zinc/68/45/24/710684524.db2.gz LHZJXZXDFWEEIS-NWDGAFQWSA-N 2 0 228.336 -0.198 20 0 BBADRP CN(C[C@@H](O)C[NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000381717106 710683434 /nfs/dbraw/zinc/68/34/34/710683434.db2.gz LHZJXZXDFWEEIS-RYUDHWBXSA-N 2 0 228.336 -0.198 20 0 BBADRP CN(C[C@H](O)C[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000381717107 710684385 /nfs/dbraw/zinc/68/43/85/710684385.db2.gz LHZJXZXDFWEEIS-VXGBXAGGSA-N 2 0 228.336 -0.198 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000381733870 398270522 /nfs/dbraw/zinc/27/05/22/398270522.db2.gz NZDMYZPBSACLOH-SECBINFHSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000381733879 398270715 /nfs/dbraw/zinc/27/07/15/398270715.db2.gz NZDMYZPBSACLOH-VIFPVBQESA-N 2 0 215.297 -0.782 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)COCC[NH3+] ZINC000381746501 398270208 /nfs/dbraw/zinc/27/02/08/398270208.db2.gz QCYBTPXVTLVSGY-UHFFFAOYSA-N 2 0 217.313 -0.405 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000381752104 398254853 /nfs/dbraw/zinc/25/48/53/398254853.db2.gz RKOTVYOLOCUZMH-GXSJLCMTSA-N 2 0 211.309 -0.207 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000381752109 398254866 /nfs/dbraw/zinc/25/48/66/398254866.db2.gz RKOTVYOLOCUZMH-KOLCDFICSA-N 2 0 211.309 -0.207 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000381752113 398254859 /nfs/dbraw/zinc/25/48/59/398254859.db2.gz RKOTVYOLOCUZMH-MWLCHTKSSA-N 2 0 211.309 -0.207 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000381752119 398271129 /nfs/dbraw/zinc/27/11/29/398271129.db2.gz RKOTVYOLOCUZMH-ONGXEEELSA-N 2 0 211.309 -0.207 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]([NH3+])C(C)C ZINC000381752894 345351768 /nfs/dbraw/zinc/35/17/68/345351768.db2.gz RNBUPGIFXZADEI-SECBINFHSA-N 2 0 217.313 -0.678 20 0 BBADRP CN(C)C(=O)C(C)(C)[NH2+]CCOCC[NH3+] ZINC000381757016 346827653 /nfs/dbraw/zinc/82/76/53/346827653.db2.gz SJWQJAZJOWPGOT-UHFFFAOYSA-N 2 0 217.313 -0.582 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1C ZINC000381761870 346837245 /nfs/dbraw/zinc/83/72/45/346837245.db2.gz UDMFATMKKXSDEQ-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1C ZINC000381761871 346836939 /nfs/dbraw/zinc/83/69/39/346836939.db2.gz UDMFATMKKXSDEQ-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000381776337 367456712 /nfs/dbraw/zinc/45/67/12/367456712.db2.gz XAXJPFBOLFTWOJ-BDAKNGLRSA-N 2 0 217.313 -0.550 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000381776344 367456507 /nfs/dbraw/zinc/45/65/07/367456507.db2.gz XAXJPFBOLFTWOJ-IUCAKERBSA-N 2 0 217.313 -0.550 20 0 BBADRP C[NH2+]CC1CC[NH+](CCOCC[NH3+])CC1 ZINC000381787373 346404531 /nfs/dbraw/zinc/40/45/31/346404531.db2.gz ZFDWUGGVEQKZHP-UHFFFAOYSA-N 3 0 215.341 -0.107 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)COCC[NH3+] ZINC000381791243 398254762 /nfs/dbraw/zinc/25/47/62/398254762.db2.gz ZXKJWLRJEHOLRW-SECBINFHSA-N 2 0 217.313 -0.405 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)COCC[NH3+] ZINC000381791245 398254835 /nfs/dbraw/zinc/25/48/35/398254835.db2.gz ZXKJWLRJEHOLRW-VIFPVBQESA-N 2 0 217.313 -0.405 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000381796765 367457517 /nfs/dbraw/zinc/45/75/17/367457517.db2.gz CAFHHIWELWIQAM-BDAKNGLRSA-N 2 0 213.325 -0.044 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000381796766 367457648 /nfs/dbraw/zinc/45/76/48/367457648.db2.gz CAFHHIWELWIQAM-RKDXNWHRSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000381806182 367459662 /nfs/dbraw/zinc/45/96/62/367459662.db2.gz GBDGWFQIFOSKNG-GXSJLCMTSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000381806184 367459435 /nfs/dbraw/zinc/45/94/35/367459435.db2.gz GBDGWFQIFOSKNG-KOLCDFICSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000381806185 367459542 /nfs/dbraw/zinc/45/95/42/367459542.db2.gz GBDGWFQIFOSKNG-MWLCHTKSSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000381806187 346872079 /nfs/dbraw/zinc/87/20/79/346872079.db2.gz GBDGWFQIFOSKNG-ONGXEEELSA-N 2 0 211.309 -0.288 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000381806214 346872162 /nfs/dbraw/zinc/87/21/62/346872162.db2.gz GBPIFGSLRQDOPR-NXEZZACHSA-N 2 0 213.325 -0.042 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]1 ZINC000381840622 398255452 /nfs/dbraw/zinc/25/54/52/398255452.db2.gz QDEAHQLFGZNPCX-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]1 ZINC000381840624 398277051 /nfs/dbraw/zinc/27/70/51/398277051.db2.gz QDEAHQLFGZNPCX-VHSXEESVSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000381846452 344924269 /nfs/dbraw/zinc/92/42/69/344924269.db2.gz RQEOBABLBHGZMJ-NXEZZACHSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000381846459 367462529 /nfs/dbraw/zinc/46/25/29/367462529.db2.gz RQEOBABLBHGZMJ-UWVGGRQHSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381846466 367462291 /nfs/dbraw/zinc/46/22/91/367462291.db2.gz RQEOBABLBHGZMJ-VHSXEESVSA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381846475 367461942 /nfs/dbraw/zinc/46/19/42/367461942.db2.gz RQEOBABLBHGZMJ-ZJUUUORDSA-N 2 0 211.309 -0.336 20 0 BBADRP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000381851410 398279281 /nfs/dbraw/zinc/27/92/81/398279281.db2.gz SRQQEXPQBSMHJD-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000381851411 397836161 /nfs/dbraw/zinc/83/61/61/397836161.db2.gz SRQQEXPQBSMHJD-ZJUUUORDSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381868824 367465415 /nfs/dbraw/zinc/46/54/15/367465415.db2.gz YETUPGDKCQCUGD-LLVKDONJSA-N 2 0 211.309 -0.192 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000381868828 367465277 /nfs/dbraw/zinc/46/52/77/367465277.db2.gz YETUPGDKCQCUGD-NSHDSACASA-N 2 0 211.309 -0.192 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000381975984 398291046 /nfs/dbraw/zinc/29/10/46/398291046.db2.gz DALNBNBLUHRSNE-KYXWUPHJSA-N 2 0 209.293 -0.395 20 0 BBADRP COCCN1CC[C@@H]([NH2+]CCC(N)=O)C1 ZINC000381980295 367475616 /nfs/dbraw/zinc/47/56/16/367475616.db2.gz FBZZVHYAOXWTNB-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP COCCN1CC[C@H]([NH2+]CCC(N)=O)C1 ZINC000381980300 367475590 /nfs/dbraw/zinc/47/55/90/367475590.db2.gz FBZZVHYAOXWTNB-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000381981452 398293416 /nfs/dbraw/zinc/29/34/16/398293416.db2.gz FJMYVCIVRSKYSK-QNSHHTMESA-N 2 0 209.293 -0.395 20 0 BBADRP CC[NH2+]CC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000381984080 710762623 /nfs/dbraw/zinc/76/26/23/710762623.db2.gz FZMJBNBPJOUMMN-IUCAKERBSA-N 2 0 217.288 -0.246 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000381999561 398297908 /nfs/dbraw/zinc/29/79/08/398297908.db2.gz JHJXGYPKBJQPFQ-KYXWUPHJSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000382003285 398298519 /nfs/dbraw/zinc/29/85/19/398298519.db2.gz KHMWKRXQEMZPAQ-KYXWUPHJSA-N 2 0 209.293 -0.410 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000382003303 398298444 /nfs/dbraw/zinc/29/84/44/398298444.db2.gz KHMWKRXQEMZPAQ-RGOKHQFPSA-N 2 0 209.293 -0.410 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]1 ZINC000382007678 398298365 /nfs/dbraw/zinc/29/83/65/398298365.db2.gz LLATXFSAXLLLHQ-JLIMGVALSA-N 2 0 209.293 -0.443 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000382025275 367479885 /nfs/dbraw/zinc/47/98/85/367479885.db2.gz RUQOUACYEBTLEW-IWSPIJDZSA-N 2 0 215.297 -0.654 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382029651 410952146 /nfs/dbraw/zinc/95/21/46/410952146.db2.gz TYFDYETUDVEQHQ-KYXWUPHJSA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000382038975 398300184 /nfs/dbraw/zinc/30/01/84/398300184.db2.gz WWIVLENLRVVAIO-GUBZILKMSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000382038981 398300068 /nfs/dbraw/zinc/30/00/68/398300068.db2.gz WWIVLENLRVVAIO-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(C[NH2+]C1CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000382042705 398300274 /nfs/dbraw/zinc/30/02/74/398300274.db2.gz YCLQLKYFUNPWNY-CBAPKCEASA-N 2 0 215.272 -0.445 20 0 BBADRP C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000382042780 367481827 /nfs/dbraw/zinc/48/18/27/367481827.db2.gz YDXPXBROLSCQSI-UJNFCWOMSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]1 ZINC000382114016 410987090 /nfs/dbraw/zinc/98/70/90/410987090.db2.gz LLATXFSAXLLLHQ-KYXWUPHJSA-N 2 0 209.293 -0.443 20 0 BBADRP C[C@@H]([NH3+])CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000382187975 367496281 /nfs/dbraw/zinc/49/62/81/367496281.db2.gz BXPBJDQVDWRXHE-HLTSFMKQSA-N 2 0 215.297 -0.654 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000382187980 367496130 /nfs/dbraw/zinc/49/61/30/367496130.db2.gz BXPBJDQVDWRXHE-YIZRAAEISA-N 2 0 215.297 -0.654 20 0 BBADRP C[NH2+]CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000382188173 367496543 /nfs/dbraw/zinc/49/65/43/367496543.db2.gz BGZZVHZLBVUZDF-UHFFFAOYSA-N 2 0 211.309 -0.192 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382196391 398256097 /nfs/dbraw/zinc/25/60/97/398256097.db2.gz DALNBNBLUHRSNE-RGOKHQFPSA-N 2 0 209.293 -0.395 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000382221130 490137051 /nfs/dbraw/zinc/13/70/51/490137051.db2.gz NCFATEDBDKIHEO-PHDIDXHHSA-N 2 0 225.214 -0.541 20 0 BBADRP O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382318134 397934680 /nfs/dbraw/zinc/93/46/80/397934680.db2.gz SGJHETHTPUUSFA-QNSHHTMESA-N 2 0 209.293 -0.395 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382328988 398256468 /nfs/dbraw/zinc/25/64/68/398256468.db2.gz VWAIASMWJHNJOV-KYXWUPHJSA-N 2 0 209.293 -0.395 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382329007 411289575 /nfs/dbraw/zinc/28/95/75/411289575.db2.gz VWAIASMWJHNJOV-RGOKHQFPSA-N 2 0 209.293 -0.395 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000382343227 367509554 /nfs/dbraw/zinc/50/95/54/367509554.db2.gz CXMVSMJEUJLERH-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000382343230 347286776 /nfs/dbraw/zinc/28/67/76/347286776.db2.gz CXMVSMJEUJLERH-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000382377996 397942159 /nfs/dbraw/zinc/94/21/59/397942159.db2.gz IMZYAXBAXJGZJE-AXTSPUMRSA-N 2 0 209.293 -0.680 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000382396250 367514587 /nfs/dbraw/zinc/51/45/87/367514587.db2.gz NZBMDESYWPCHHL-BBBLOLIVSA-N 2 0 213.325 -0.059 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000382396252 367514475 /nfs/dbraw/zinc/51/44/75/367514475.db2.gz NZBMDESYWPCHHL-OPRDCNLKSA-N 2 0 213.325 -0.059 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[NH2+]CC1 ZINC000382412146 487541487 /nfs/dbraw/zinc/54/14/87/487541487.db2.gz UVADQKXADUCZCC-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCC1 ZINC000382426880 397948687 /nfs/dbraw/zinc/94/86/87/397948687.db2.gz YOJVUAXPTIRLAJ-HLTSFMKQSA-N 2 0 209.293 -0.266 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000382427628 711733024 /nfs/dbraw/zinc/73/30/24/711733024.db2.gz ZJKKZFMXJAKGNL-SRVKXCTJSA-N 2 0 245.367 -0.653 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000382430095 367522093 /nfs/dbraw/zinc/52/20/93/367522093.db2.gz ZPIIOVAPHNGCTP-OPRDCNLKSA-N 2 0 213.325 -0.186 20 0 BBADRP OCC[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000382533284 710973369 /nfs/dbraw/zinc/97/33/69/710973369.db2.gz MBZQDOJMVNHWPT-UHFFFAOYSA-N 2 0 227.352 -0.262 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@](C)(O)COC ZINC000382564260 367541155 /nfs/dbraw/zinc/54/11/55/367541155.db2.gz NBHHCBPDCKEJNG-GHMZBOCLSA-N 2 0 234.340 -0.273 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@](C)(O)COC ZINC000382564262 367541017 /nfs/dbraw/zinc/54/10/17/367541017.db2.gz NBHHCBPDCKEJNG-MNOVXSKESA-N 2 0 234.340 -0.273 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+]C[C@](C)(O)COC ZINC000382564263 367541611 /nfs/dbraw/zinc/54/16/11/367541611.db2.gz NBHHCBPDCKEJNG-QWRGUYRKSA-N 2 0 234.340 -0.273 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@](C)(O)COC ZINC000382564264 367540815 /nfs/dbraw/zinc/54/08/15/367540815.db2.gz NBHHCBPDCKEJNG-WDEREUQCSA-N 2 0 234.340 -0.273 20 0 BBADRP C[NH2+]CCSCCN1CC[NH2+]CC1 ZINC000382645693 347382762 /nfs/dbraw/zinc/38/27/62/347382762.db2.gz JYIJGVNXWVDATA-UHFFFAOYSA-N 2 0 203.355 -0.156 20 0 BBADRP CN(CC(=O)N1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000382755492 397972529 /nfs/dbraw/zinc/97/25/29/397972529.db2.gz MYVPYSQMNQUMJK-LLVKDONJSA-N 2 0 241.335 -0.614 20 0 BBADRP CN(CC(=O)N1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000382755493 397972302 /nfs/dbraw/zinc/97/23/02/397972302.db2.gz MYVPYSQMNQUMJK-NSHDSACASA-N 2 0 241.335 -0.614 20 0 BBADRP COCCCNC(=O)CN(C)C[C@@H]1CC[NH2+]C1 ZINC000382759043 397971860 /nfs/dbraw/zinc/97/18/60/397971860.db2.gz VUDTYIUYEVPADF-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP COCCCNC(=O)CN(C)C[C@H]1CC[NH2+]C1 ZINC000382759044 397972181 /nfs/dbraw/zinc/97/21/81/397972181.db2.gz VUDTYIUYEVPADF-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP COC[C@H](O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383041062 710869044 /nfs/dbraw/zinc/86/90/44/710869044.db2.gz HHCCUTZCPWAAGM-ASHHDVGLSA-N 2 0 240.347 -0.030 20 0 BBADRP COC[C@H](O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383041070 710868980 /nfs/dbraw/zinc/86/89/80/710868980.db2.gz HHCCUTZCPWAAGM-JSAZDUPASA-N 2 0 240.347 -0.030 20 0 BBADRP COC[C@H](O)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383041078 710868717 /nfs/dbraw/zinc/86/87/17/710868717.db2.gz HHCCUTZCPWAAGM-NURVWSNCSA-N 2 0 240.347 -0.030 20 0 BBADRP CC[C@H](CO)[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000383090283 367595307 /nfs/dbraw/zinc/59/53/07/367595307.db2.gz LENBLJMCEAJGIS-NEPJUHHUSA-N 2 0 248.367 -0.372 20 0 BBADRP CC[C@@H](CO)[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000383090285 367594789 /nfs/dbraw/zinc/59/47/89/367594789.db2.gz LENBLJMCEAJGIS-NWDGAFQWSA-N 2 0 248.367 -0.372 20 0 BBADRP CC[C@@H](CO)[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000383090290 367594634 /nfs/dbraw/zinc/59/46/34/367594634.db2.gz LENBLJMCEAJGIS-RYUDHWBXSA-N 2 0 248.367 -0.372 20 0 BBADRP OCCOCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383197571 710978999 /nfs/dbraw/zinc/97/89/99/710978999.db2.gz UHWHZSNZZKAEGY-JZRPKSSGSA-N 2 0 240.347 -0.029 20 0 BBADRP OCCOCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383197579 710979269 /nfs/dbraw/zinc/97/92/69/710979269.db2.gz UHWHZSNZZKAEGY-NWBUJAPZSA-N 2 0 240.347 -0.029 20 0 BBADRP OCCOCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383197581 710978786 /nfs/dbraw/zinc/97/87/86/710978786.db2.gz UHWHZSNZZKAEGY-OBPIAQAESA-N 2 0 240.347 -0.029 20 0 BBADRP COC[C@@]1(C(=O)NC[C@H](C)[NH+](C)C)CC[NH2+]C1 ZINC000383282995 398013245 /nfs/dbraw/zinc/01/32/45/398013245.db2.gz LKPLFCLSLRQDKS-CMPLNLGQSA-N 2 0 243.351 -0.321 20 0 BBADRP COC[C@]1(C(=O)NC[C@H](C)[NH+](C)C)CC[NH2+]C1 ZINC000383283009 398013587 /nfs/dbraw/zinc/01/35/87/398013587.db2.gz LKPLFCLSLRQDKS-JQWIXIFHSA-N 2 0 243.351 -0.321 20 0 BBADRP COC[C@]1(C(=O)NC[C@@H](C)[NH+](C)C)CC[NH2+]C1 ZINC000383283023 398013011 /nfs/dbraw/zinc/01/30/11/398013011.db2.gz LKPLFCLSLRQDKS-PWSUYJOCSA-N 2 0 243.351 -0.321 20 0 BBADRP COC[C@@]1(C(=O)NC[C@@H](C)[NH+](C)C)CC[NH2+]C1 ZINC000383283025 398013634 /nfs/dbraw/zinc/01/36/34/398013634.db2.gz LKPLFCLSLRQDKS-ZYHUDNBSSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000383331677 367613891 /nfs/dbraw/zinc/61/38/91/367613891.db2.gz VMXYGLHXDSCXSV-GFCCVEGCSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000383331680 367613479 /nfs/dbraw/zinc/61/34/79/367613479.db2.gz VMXYGLHXDSCXSV-LBPRGKRZSA-N 2 0 243.351 -0.320 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCOCC[NH+](C)C ZINC000383335646 367613654 /nfs/dbraw/zinc/61/36/54/367613654.db2.gz KMINOLISWGOEFZ-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCOCC[NH+](C)C ZINC000383335647 367613998 /nfs/dbraw/zinc/61/39/98/367613998.db2.gz KMINOLISWGOEFZ-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP COCC1(CNC(=O)C[NH+](C)C)CC[NH2+]CC1 ZINC000383392525 352755177 /nfs/dbraw/zinc/75/51/77/352755177.db2.gz LAVYQSRGLTVHST-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH+](C)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000383393129 352755472 /nfs/dbraw/zinc/75/54/72/352755472.db2.gz PJHMDEPLRIVRPM-LURJTMIESA-N 2 0 209.240 -0.353 20 0 BBADRP C[NH+](C)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000383393130 352755460 /nfs/dbraw/zinc/75/54/60/352755460.db2.gz PJHMDEPLRIVRPM-ZCFIWIBFSA-N 2 0 209.240 -0.353 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000383397456 710979859 /nfs/dbraw/zinc/97/98/59/710979859.db2.gz ATOWJWOYUNQBGR-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[N@H+](CCn1cncn1)CCN1CC[NH2+]CC1 ZINC000383439734 398020201 /nfs/dbraw/zinc/02/02/01/398020201.db2.gz DKURTIFTVQYXFW-UHFFFAOYSA-N 2 0 238.339 -0.885 20 0 BBADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000383492311 710982692 /nfs/dbraw/zinc/98/26/92/710982692.db2.gz BDAOQWHTZUFBJQ-QWHCGFSZSA-N 2 0 239.363 -0.140 20 0 BBADRP NC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000383538674 711592841 /nfs/dbraw/zinc/59/28/41/711592841.db2.gz SYDAFQYFKKGQKI-UHFFFAOYSA-N 2 0 240.307 -0.743 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000383562366 711660579 /nfs/dbraw/zinc/66/05/79/711660579.db2.gz AEQNQZUKSPZZMG-NEPJUHHUSA-N 2 0 245.367 -0.651 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000383562372 711660552 /nfs/dbraw/zinc/66/05/52/711660552.db2.gz AEQNQZUKSPZZMG-VXGBXAGGSA-N 2 0 245.367 -0.651 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](NC(C)=O)C1 ZINC000383662310 367647641 /nfs/dbraw/zinc/64/76/41/367647641.db2.gz GQGZRILOOBOXFZ-NEPJUHHUSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@H](NC(C)=O)C1 ZINC000383662311 367647096 /nfs/dbraw/zinc/64/70/96/367647096.db2.gz GQGZRILOOBOXFZ-NWDGAFQWSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H](NC(C)=O)C1 ZINC000383662312 367647383 /nfs/dbraw/zinc/64/73/83/367647383.db2.gz GQGZRILOOBOXFZ-RYUDHWBXSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](NC(C)=O)C1 ZINC000383662313 367647608 /nfs/dbraw/zinc/64/76/08/367647608.db2.gz GQGZRILOOBOXFZ-VXGBXAGGSA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000383698885 710853867 /nfs/dbraw/zinc/85/38/67/710853867.db2.gz RYERJRAQFUSQDA-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000383714279 710872372 /nfs/dbraw/zinc/87/23/72/710872372.db2.gz XHIHNBCCOGQHNZ-NEPJUHHUSA-N 2 0 245.367 -0.781 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000383714280 710872730 /nfs/dbraw/zinc/87/27/30/710872730.db2.gz XHIHNBCCOGQHNZ-NWDGAFQWSA-N 2 0 245.367 -0.781 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000383714282 710872764 /nfs/dbraw/zinc/87/27/64/710872764.db2.gz XHIHNBCCOGQHNZ-RYUDHWBXSA-N 2 0 245.367 -0.781 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000383714284 710872032 /nfs/dbraw/zinc/87/20/32/710872032.db2.gz XHIHNBCCOGQHNZ-VXGBXAGGSA-N 2 0 245.367 -0.781 20 0 BBADRP COC[C@H](CCO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000383749640 367651626 /nfs/dbraw/zinc/65/16/26/367651626.db2.gz JRFVNNYWZHRPFI-CMPLNLGQSA-N 2 0 246.351 -0.572 20 0 BBADRP COC[C@H](CCO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000383749643 367651351 /nfs/dbraw/zinc/65/13/51/367651351.db2.gz JRFVNNYWZHRPFI-JQWIXIFHSA-N 2 0 246.351 -0.572 20 0 BBADRP COC[C@@H](CCO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000383749645 367651386 /nfs/dbraw/zinc/65/13/86/367651386.db2.gz JRFVNNYWZHRPFI-PWSUYJOCSA-N 2 0 246.351 -0.572 20 0 BBADRP COC[C@@H](CCO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000383749647 367651438 /nfs/dbraw/zinc/65/14/38/367651438.db2.gz JRFVNNYWZHRPFI-ZYHUDNBSSA-N 2 0 246.351 -0.572 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000383788684 710931890 /nfs/dbraw/zinc/93/18/90/710931890.db2.gz QPRRQQDLVSRWNH-NEPJUHHUSA-N 2 0 243.351 -0.897 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000383788685 710932026 /nfs/dbraw/zinc/93/20/26/710932026.db2.gz QPRRQQDLVSRWNH-NWDGAFQWSA-N 2 0 243.351 -0.897 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000383788686 710931754 /nfs/dbraw/zinc/93/17/54/710931754.db2.gz QPRRQQDLVSRWNH-RYUDHWBXSA-N 2 0 243.351 -0.897 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000383788687 710931955 /nfs/dbraw/zinc/93/19/55/710931955.db2.gz QPRRQQDLVSRWNH-VXGBXAGGSA-N 2 0 243.351 -0.897 20 0 BBADRP CC(C)[N@H+](C)C[C@@H](O)Cn1cc([C@@H](C)[NH3+])nn1 ZINC000383797070 710944355 /nfs/dbraw/zinc/94/43/55/710944355.db2.gz SDMXHIQOIIMEBH-NXEZZACHSA-N 2 0 241.339 -0.001 20 0 BBADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc([C@@H](C)[NH3+])nn1 ZINC000383797071 710944380 /nfs/dbraw/zinc/94/43/80/710944380.db2.gz SDMXHIQOIIMEBH-ZJUUUORDSA-N 2 0 241.339 -0.001 20 0 BBADRP C[NH2+]Cc1cn(C[C@H](O)C[N@H+](C)C(C)C)nn1 ZINC000383804213 398036587 /nfs/dbraw/zinc/03/65/87/398036587.db2.gz UESOLHHXRQNYGM-LLVKDONJSA-N 2 0 241.339 -0.301 20 0 BBADRP C[NH2+]Cc1cn(C[C@@H](O)C[N@H+](C)C(C)C)nn1 ZINC000383804222 398036658 /nfs/dbraw/zinc/03/66/58/398036658.db2.gz UESOLHHXRQNYGM-NSHDSACASA-N 2 0 241.339 -0.301 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C1(OC)CC[NH2+]CC1 ZINC000383844177 367655843 /nfs/dbraw/zinc/65/58/43/367655843.db2.gz VTUNDEFORZEIOL-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)N1 ZINC000383845169 710952096 /nfs/dbraw/zinc/95/20/96/710952096.db2.gz KYERQBAHQXAOAB-GMTAPVOTSA-N 2 0 238.335 -0.213 20 0 BBADRP C[C@@H]1C[NH+]=C(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)N1 ZINC000383845282 710952391 /nfs/dbraw/zinc/95/23/91/710952391.db2.gz KYERQBAHQXAOAB-MXWKQRLJSA-N 2 0 238.335 -0.213 20 0 BBADRP C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)N1 ZINC000383845283 710952133 /nfs/dbraw/zinc/95/21/33/710952133.db2.gz KYERQBAHQXAOAB-OUAUKWLOSA-N 2 0 238.335 -0.213 20 0 BBADRP C[C@@H]1C[NH+]=C(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)N1 ZINC000383845290 710951476 /nfs/dbraw/zinc/95/14/76/710951476.db2.gz KYERQBAHQXAOAB-VWYCJHECSA-N 2 0 238.335 -0.213 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000383980503 710987347 /nfs/dbraw/zinc/98/73/47/710987347.db2.gz LVKNBMNMJAGYME-NEPJUHHUSA-N 2 0 245.367 -0.794 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000383980504 710988151 /nfs/dbraw/zinc/98/81/51/710988151.db2.gz LVKNBMNMJAGYME-NWDGAFQWSA-N 2 0 245.367 -0.794 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000383980505 710987518 /nfs/dbraw/zinc/98/75/18/710987518.db2.gz LVKNBMNMJAGYME-RYUDHWBXSA-N 2 0 245.367 -0.794 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000383980506 710987907 /nfs/dbraw/zinc/98/79/07/710987907.db2.gz LVKNBMNMJAGYME-VXGBXAGGSA-N 2 0 245.367 -0.794 20 0 BBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000384001504 487685895 /nfs/dbraw/zinc/68/58/95/487685895.db2.gz OOMLTGIXSRKYJX-AVGNSLFASA-N 2 0 241.379 -0.161 20 0 BBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000384001506 487686024 /nfs/dbraw/zinc/68/60/24/487686024.db2.gz OOMLTGIXSRKYJX-UPJWGTAASA-N 2 0 241.379 -0.161 20 0 BBADRP Cn1nnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000384008616 367668153 /nfs/dbraw/zinc/66/81/53/367668153.db2.gz OAWDPMJRXVDLNQ-AOOOYVTPSA-N 2 0 236.323 -0.359 20 0 BBADRP CCOC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384712275 710995089 /nfs/dbraw/zinc/99/50/89/710995089.db2.gz DTODNEPMNUCXMX-RTBKNWGFSA-N 2 0 202.298 -0.195 20 0 BBADRP CCOC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384712276 710995461 /nfs/dbraw/zinc/99/54/61/710995461.db2.gz DTODNEPMNUCXMX-UDNWOFFPSA-N 2 0 202.298 -0.195 20 0 BBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH2+]1 ZINC000384744862 710995436 /nfs/dbraw/zinc/99/54/36/710995436.db2.gz IEKWCTZKIVAVCX-GMTAPVOTSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH2+]1 ZINC000384744863 710995552 /nfs/dbraw/zinc/99/55/52/710995552.db2.gz IEKWCTZKIVAVCX-HBNTYKKESA-N 2 0 239.319 -0.672 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@H]1CC[NH2+]1 ZINC000384794979 367733000 /nfs/dbraw/zinc/73/30/00/367733000.db2.gz XHSSABGJMTTZDI-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384798838 367733775 /nfs/dbraw/zinc/73/37/75/367733775.db2.gz BTZPZTVZBJXANQ-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384806369 367735620 /nfs/dbraw/zinc/73/56/20/367735620.db2.gz ZSJPZUGSWRBSCW-LLVKDONJSA-N 2 0 241.335 -0.471 20 0 BBADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+](C)C1CC1 ZINC000384811543 367735518 /nfs/dbraw/zinc/73/55/18/367735518.db2.gz FWIRJAWBDRVNNP-PSASIEDQSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+](C)C1CC1 ZINC000384811547 367735090 /nfs/dbraw/zinc/73/50/90/367735090.db2.gz FWIRJAWBDRVNNP-WCBMZHEXSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCCC1 ZINC000384812034 367736792 /nfs/dbraw/zinc/73/67/92/367736792.db2.gz HAUJXYWOFGZYLU-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCCC1 ZINC000384812036 367736804 /nfs/dbraw/zinc/73/68/04/367736804.db2.gz HAUJXYWOFGZYLU-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000384812174 398108155 /nfs/dbraw/zinc/10/81/55/398108155.db2.gz GLIXKQQZIZFIPK-GHMZBOCLSA-N 2 0 223.320 -0.099 20 0 BBADRP CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000384812176 398107515 /nfs/dbraw/zinc/10/75/15/398107515.db2.gz GLIXKQQZIZFIPK-MNOVXSKESA-N 2 0 223.320 -0.099 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C ZINC000384819842 367736814 /nfs/dbraw/zinc/73/68/14/367736814.db2.gz OKTSOECUSCFFNO-KXUCPTDWSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C ZINC000384819843 350580964 /nfs/dbraw/zinc/58/09/64/350580964.db2.gz OKTSOECUSCFFNO-OPRDCNLKSA-N 2 0 211.309 -0.053 20 0 BBADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CC[NH2+]1 ZINC000384832002 350589843 /nfs/dbraw/zinc/58/98/43/350589843.db2.gz KWIBDAOHYUIHBU-SNVBAGLBSA-N 2 0 211.309 -0.050 20 0 BBADRP O=C(NCC[NH+]1CCCCC1)[C@H]1CC[NH2+]1 ZINC000384833683 350593200 /nfs/dbraw/zinc/59/32/00/350593200.db2.gz MJDBFMQUEBKFPV-SNVBAGLBSA-N 2 0 211.309 -0.050 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000384834915 367739707 /nfs/dbraw/zinc/73/97/07/367739707.db2.gz NSDMKTOXDULYGK-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000384834918 367740400 /nfs/dbraw/zinc/74/04/00/367740400.db2.gz NSDMKTOXDULYGK-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH2+]1)C1CC1 ZINC000384837387 367740497 /nfs/dbraw/zinc/74/04/97/367740497.db2.gz QDRYHXCBOIGSBV-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]1 ZINC000384838530 367739861 /nfs/dbraw/zinc/73/98/61/367739861.db2.gz RENOPUVRGKFEDT-GXSJLCMTSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]1 ZINC000384838534 367739827 /nfs/dbraw/zinc/73/98/27/367739827.db2.gz RENOPUVRGKFEDT-MWLCHTKSSA-N 2 0 223.320 -0.051 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384842010 367741362 /nfs/dbraw/zinc/74/13/62/367741362.db2.gz UWDIELDISBWSRW-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384842012 350595391 /nfs/dbraw/zinc/59/53/91/350595391.db2.gz UWDIELDISBWSRW-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384842029 367741627 /nfs/dbraw/zinc/74/16/27/367741627.db2.gz UYPGUEXTNVLPGD-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384842031 367741877 /nfs/dbraw/zinc/74/18/77/367741877.db2.gz UYPGUEXTNVLPGD-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@H+](CCN1CCOCC1)C1CC([NH3+])C1 ZINC000384896767 367754060 /nfs/dbraw/zinc/75/40/60/367754060.db2.gz VKKMDFSMSVUFBV-UHFFFAOYSA-N 2 0 213.325 -0.260 20 0 BBADRP COCC(COC)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000384912163 712704743 /nfs/dbraw/zinc/70/47/43/712704743.db2.gz DQNFQFNHJJDBSY-AOOOYVTPSA-N 2 0 214.309 -0.201 20 0 BBADRP CN(C[C@@H](O)C[NH+]1CCCC1)C1CC([NH3+])C1 ZINC000384954492 711001271 /nfs/dbraw/zinc/00/12/71/711001271.db2.gz GPNOQYNBOYFBEF-HTAVTVPLSA-N 2 0 227.352 -0.135 20 0 BBADRP CN(C[C@H](O)C[NH+]1CCCC1)C1CC([NH3+])C1 ZINC000384954519 711001426 /nfs/dbraw/zinc/00/14/26/711001426.db2.gz GPNOQYNBOYFBEF-MCIGGMRASA-N 2 0 227.352 -0.135 20 0 BBADRP COCC(COC)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000384959392 712707495 /nfs/dbraw/zinc/70/74/95/712707495.db2.gz NDWYNJSYQBCIOC-UHFFFAOYSA-N 2 0 245.367 -0.515 20 0 BBADRP COCC(COC)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000385002556 711002399 /nfs/dbraw/zinc/00/23/99/711002399.db2.gz VXHFITQEZRFBDU-SECBINFHSA-N 2 0 202.298 -0.072 20 0 BBADRP COCC(COC)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000385002558 711003206 /nfs/dbraw/zinc/00/32/06/711003206.db2.gz VXHFITQEZRFBDU-VIFPVBQESA-N 2 0 202.298 -0.072 20 0 BBADRP COCC(COC)[N@H+](C)CCOCC[NH3+] ZINC000385035833 712708031 /nfs/dbraw/zinc/70/80/31/712708031.db2.gz MCOVMJOCXIPTHY-UHFFFAOYSA-N 2 0 220.313 -0.445 20 0 BBADRP COCCOC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385060062 711004169 /nfs/dbraw/zinc/00/41/69/711004169.db2.gz UQGOQCVABIBCRR-ILDUYXDCSA-N 2 0 232.324 -0.568 20 0 BBADRP COCCOC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385060063 711004521 /nfs/dbraw/zinc/00/45/21/711004521.db2.gz UQGOQCVABIBCRR-VQXHTEKXSA-N 2 0 232.324 -0.568 20 0 BBADRP C[NH+](C)[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC000385072219 711004612 /nfs/dbraw/zinc/00/46/12/711004612.db2.gz DQXNHWQUTQEJEV-URLYPYJESA-N 2 0 214.309 -0.513 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385091634 711005449 /nfs/dbraw/zinc/00/54/49/711005449.db2.gz GHFWDKYHMPIOGG-NDBYEHHHSA-N 2 0 241.379 -0.209 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385091639 711005946 /nfs/dbraw/zinc/00/59/46/711005946.db2.gz GHFWDKYHMPIOGG-WUHRBBMRSA-N 2 0 241.379 -0.209 20 0 BBADRP CNC(=O)NC(=O)CC[N@H+](C)C1CC([NH3+])C1 ZINC000385102455 367791356 /nfs/dbraw/zinc/79/13/56/367791356.db2.gz ZYYRINIANHJDKH-UHFFFAOYSA-N 2 0 228.296 -0.746 20 0 BBADRP COC[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385136616 711005545 /nfs/dbraw/zinc/00/55/45/711005545.db2.gz LMZUQGVHJIXYHK-UKKRHICBSA-N 2 0 214.309 -0.515 20 0 BBADRP COC[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385136619 711006224 /nfs/dbraw/zinc/00/62/24/711006224.db2.gz LMZUQGVHJIXYHK-ZNSHCXBVSA-N 2 0 214.309 -0.515 20 0 BBADRP COC[C@@H](C)OC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385163744 711007059 /nfs/dbraw/zinc/00/70/59/711007059.db2.gz LNOKEYKLWPFVOL-HBIQZDMRSA-N 2 0 246.351 -0.180 20 0 BBADRP COC[C@H](C)OC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385163753 711006712 /nfs/dbraw/zinc/00/67/12/711006712.db2.gz LNOKEYKLWPFVOL-WNYYMSAVSA-N 2 0 246.351 -0.180 20 0 BBADRP COC[C@H](C)OC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385163754 711672419 /nfs/dbraw/zinc/67/24/19/711672419.db2.gz LNOKEYKLWPFVOL-XKGSQUFQSA-N 2 0 246.351 -0.180 20 0 BBADRP COC[C@@H](C)OC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385163755 711672388 /nfs/dbraw/zinc/67/23/88/711672388.db2.gz LNOKEYKLWPFVOL-YYJSSNLHSA-N 2 0 246.351 -0.180 20 0 BBADRP CCCNC(=O)NC(=O)CN(C)C1CC([NH3+])C1 ZINC000385208388 342687253 /nfs/dbraw/zinc/68/72/53/342687253.db2.gz QATGOXAXWRFIBH-UHFFFAOYSA-N 2 0 242.323 -0.356 20 0 BBADRP OCCCN(CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000385332056 711012079 /nfs/dbraw/zinc/01/20/79/711012079.db2.gz SBGMKJBXIRUSMR-GFCCVEGCSA-N 2 0 246.351 -0.880 20 0 BBADRP OCCCN(CCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000385332057 711011041 /nfs/dbraw/zinc/01/10/41/711011041.db2.gz SBGMKJBXIRUSMR-LBPRGKRZSA-N 2 0 246.351 -0.880 20 0 BBADRP O[C@H](CN1CC[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCCC1 ZINC000385404972 711013192 /nfs/dbraw/zinc/01/31/92/711013192.db2.gz XIXDEESXLDNDAL-AGIUHOORSA-N 2 0 239.363 -0.263 20 0 BBADRP O[C@@H](CN1CC[C@@H]2C[NH2+]C[C@@H]21)C[NH+]1CCCC1 ZINC000385404973 711013802 /nfs/dbraw/zinc/01/38/02/711013802.db2.gz XIXDEESXLDNDAL-UPJWGTAASA-N 2 0 239.363 -0.263 20 0 BBADRP CN1CCC[NH+]=C1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000386601770 711033990 /nfs/dbraw/zinc/03/39/90/711033990.db2.gz UZDPXPKVMRXTIN-LLVKDONJSA-N 2 0 239.367 -0.487 20 0 BBADRP CN1CCC[NH+]=C1NC[C@H]1C[N@@H+](C)CCN1C ZINC000386601775 711033516 /nfs/dbraw/zinc/03/35/16/711033516.db2.gz UZDPXPKVMRXTIN-NSHDSACASA-N 2 0 239.367 -0.487 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC(=O)N1 ZINC000386925825 711037556 /nfs/dbraw/zinc/03/75/56/711037556.db2.gz QHNQQDLPFLTLQW-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](O)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000386945354 363073751 /nfs/dbraw/zinc/07/37/51/363073751.db2.gz VJRFKDXDUMOJRN-DCAQKATOSA-N 2 0 216.325 -0.198 20 0 BBADRP C[C@H](O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000386945355 363073893 /nfs/dbraw/zinc/07/38/93/363073893.db2.gz VJRFKDXDUMOJRN-GARJFASQSA-N 2 0 216.325 -0.198 20 0 BBADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](C)O ZINC000386945356 363073803 /nfs/dbraw/zinc/07/38/03/363073803.db2.gz VJRFKDXDUMOJRN-OUAUKWLOSA-N 2 0 216.325 -0.198 20 0 BBADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H](C)O ZINC000386945357 363074214 /nfs/dbraw/zinc/07/42/14/363074214.db2.gz VJRFKDXDUMOJRN-VWYCJHECSA-N 2 0 216.325 -0.198 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)[C@H](C)C[NH3+] ZINC000389582329 356993432 /nfs/dbraw/zinc/99/34/32/356993432.db2.gz HPJFXLZYJPFGKE-HTQZYQBOSA-N 2 0 203.286 -0.844 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000389582330 356993640 /nfs/dbraw/zinc/99/36/40/356993640.db2.gz HPJFXLZYJPFGKE-JGVFFNPUSA-N 2 0 203.286 -0.844 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@H](C)C[NH3+] ZINC000389582332 358428223 /nfs/dbraw/zinc/42/82/23/358428223.db2.gz HPJFXLZYJPFGKE-SFYZADRCSA-N 2 0 203.286 -0.844 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000389582334 356993413 /nfs/dbraw/zinc/99/34/13/356993413.db2.gz HPJFXLZYJPFGKE-YUMQZZPRSA-N 2 0 203.286 -0.844 20 0 BBADRP C[NH2+]CCCN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000389586230 398114693 /nfs/dbraw/zinc/11/46/93/398114693.db2.gz JLOXYVKEDMKZBT-NXEZZACHSA-N 2 0 201.314 -0.356 20 0 BBADRP C[NH2+]CCCN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000389586233 398114900 /nfs/dbraw/zinc/11/49/00/398114900.db2.gz JLOXYVKEDMKZBT-UWVGGRQHSA-N 2 0 201.314 -0.356 20 0 BBADRP C[NH2+]CCCN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000389586234 398114876 /nfs/dbraw/zinc/11/48/76/398114876.db2.gz JLOXYVKEDMKZBT-VHSXEESVSA-N 2 0 201.314 -0.356 20 0 BBADRP C[NH2+]CCCN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000389586235 398114780 /nfs/dbraw/zinc/11/47/80/398114780.db2.gz JLOXYVKEDMKZBT-ZJUUUORDSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@H](O)CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000389598570 711081594 /nfs/dbraw/zinc/08/15/94/711081594.db2.gz RRYHHNISEUSDPE-WDEREUQCSA-N 2 0 216.325 -0.244 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000389601039 357000297 /nfs/dbraw/zinc/00/02/97/357000297.db2.gz UMIOTSHCNMCURZ-HTQZYQBOSA-N 2 0 219.354 -0.222 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000389601043 357000313 /nfs/dbraw/zinc/00/03/13/357000313.db2.gz UMIOTSHCNMCURZ-JGVFFNPUSA-N 2 0 219.354 -0.222 20 0 BBADRP CN1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1=O ZINC000389611920 711082429 /nfs/dbraw/zinc/08/24/29/711082429.db2.gz DSKZNHMFXPNHKI-ZJUUUORDSA-N 2 0 211.309 -0.112 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000389665960 488105674 /nfs/dbraw/zinc/10/56/74/488105674.db2.gz TWLMKTILURZJRY-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000389665962 487831061 /nfs/dbraw/zinc/83/10/61/487831061.db2.gz TWLMKTILURZJRY-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+](C)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000389668618 398118904 /nfs/dbraw/zinc/11/89/04/398118904.db2.gz DQQAGSKDIQWHKM-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH+](C)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000389668621 398118918 /nfs/dbraw/zinc/11/89/18/398118918.db2.gz DQQAGSKDIQWHKM-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)COCC[NH3+])C1 ZINC000389699295 488106842 /nfs/dbraw/zinc/10/68/42/488106842.db2.gz GIEMXTRHNRJZMI-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000389699296 488106675 /nfs/dbraw/zinc/10/66/75/488106675.db2.gz GIEMXTRHNRJZMI-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000389723835 711088263 /nfs/dbraw/zinc/08/82/63/711088263.db2.gz KOCCYRZYGIOMKK-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C[NH3+])OC)C1 ZINC000389723837 711088289 /nfs/dbraw/zinc/08/82/89/711088289.db2.gz KOCCYRZYGIOMKK-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[NH2+]CC(=O)NC(C)(C)C[NH3+] ZINC000389746814 357022031 /nfs/dbraw/zinc/02/20/31/357022031.db2.gz XTYQCVYSBMWWAA-UHFFFAOYSA-N 2 0 203.286 -0.924 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])COC ZINC000389749466 357025333 /nfs/dbraw/zinc/02/53/33/357025333.db2.gz YKIKXZQFAAAJGQ-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000389814555 488113084 /nfs/dbraw/zinc/11/30/84/488113084.db2.gz RLZOQRSDOMEHDG-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000389814556 488113141 /nfs/dbraw/zinc/11/31/41/488113141.db2.gz RLZOQRSDOMEHDG-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000389814557 488113277 /nfs/dbraw/zinc/11/32/77/488113277.db2.gz RLZOQRSDOMEHDG-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000389814558 488113164 /nfs/dbraw/zinc/11/31/64/488113164.db2.gz RLZOQRSDOMEHDG-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP [NH3+]CCOCC[N@H+](CCCO)C1CC1 ZINC000389857908 397997422 /nfs/dbraw/zinc/99/74/22/397997422.db2.gz BTBUOAQXWUPENB-UHFFFAOYSA-N 2 0 202.298 -0.192 20 0 BBADRP [NH3+]CCOCCN1CCCC[C@H]1C[NH3+] ZINC000389875448 357058198 /nfs/dbraw/zinc/05/81/98/357058198.db2.gz LKOBZNKHSGDSHL-JTQLQIEISA-N 3 0 201.314 -0.225 20 0 BBADRP [NH3+]CCOCCN1CCCC[C@@H]1C[NH3+] ZINC000389875449 357058217 /nfs/dbraw/zinc/05/82/17/357058217.db2.gz LKOBZNKHSGDSHL-SNVBAGLBSA-N 3 0 201.314 -0.225 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000389876682 357058294 /nfs/dbraw/zinc/05/82/94/357058294.db2.gz MEFPTURJLJFSTK-JTQLQIEISA-N 3 0 201.314 -0.368 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000389876684 357058156 /nfs/dbraw/zinc/05/81/56/357058156.db2.gz MEFPTURJLJFSTK-SNVBAGLBSA-N 3 0 201.314 -0.368 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]CCOC)C1 ZINC000389884600 487844674 /nfs/dbraw/zinc/84/46/74/487844674.db2.gz LHFIAZRGIRSIMQ-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]CCOC)C1 ZINC000389884708 488121858 /nfs/dbraw/zinc/12/18/58/488121858.db2.gz LHFIAZRGIRSIMQ-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCC[NH3+] ZINC000389893958 357061531 /nfs/dbraw/zinc/06/15/31/357061531.db2.gz XQFHUOBZUNDDOV-NXEZZACHSA-N 3 0 201.314 -0.369 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCC[NH3+] ZINC000389893959 357060899 /nfs/dbraw/zinc/06/08/99/357060899.db2.gz XQFHUOBZUNDDOV-UWVGGRQHSA-N 3 0 201.314 -0.369 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCC[NH3+] ZINC000389893960 357061468 /nfs/dbraw/zinc/06/14/68/357061468.db2.gz XQFHUOBZUNDDOV-VHSXEESVSA-N 3 0 201.314 -0.369 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCC[NH3+] ZINC000389893961 357060976 /nfs/dbraw/zinc/06/09/76/357060976.db2.gz XQFHUOBZUNDDOV-ZJUUUORDSA-N 3 0 201.314 -0.369 20 0 BBADRP C[C@@H](CCO)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000389904607 711097651 /nfs/dbraw/zinc/09/76/51/711097651.db2.gz GIHLNEJNLXJUQC-JTQLQIEISA-N 2 0 216.325 -0.196 20 0 BBADRP C[C@H](CCO)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000389904608 711097120 /nfs/dbraw/zinc/09/71/20/711097120.db2.gz GIHLNEJNLXJUQC-SNVBAGLBSA-N 2 0 216.325 -0.196 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC(C)(C)[NH3+] ZINC000389933970 357069395 /nfs/dbraw/zinc/06/93/95/357069395.db2.gz MISSRVXJHGXLJN-SSDOTTSWSA-N 2 0 203.286 -0.796 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC(C)(C)[NH3+] ZINC000389933971 357069826 /nfs/dbraw/zinc/06/98/26/357069826.db2.gz MISSRVXJHGXLJN-ZETCQYMHSA-N 2 0 203.286 -0.796 20 0 BBADRP C[C@@]1(C[NH3+])CC[N@H+](CCOCC[NH3+])C1 ZINC000389958475 357073277 /nfs/dbraw/zinc/07/32/77/357073277.db2.gz VDHIRDVJVVENAT-JTQLQIEISA-N 3 0 201.314 -0.368 20 0 BBADRP C[C@]1(C[NH3+])CC[N@H+](CCOCC[NH3+])C1 ZINC000389958476 357073064 /nfs/dbraw/zinc/07/30/64/357073064.db2.gz VDHIRDVJVVENAT-SNVBAGLBSA-N 3 0 201.314 -0.368 20 0 BBADRP CO[C@@H]1CCN(C[C@H](C)[NH3+])[C@@H](C[NH3+])C1 ZINC000389963430 357075159 /nfs/dbraw/zinc/07/51/59/357075159.db2.gz WODCSQRRHCYXOS-IVZWLZJFSA-N 2 0 201.314 -0.228 20 0 BBADRP CO[C@@H]1CCN(C[C@@H](C)[NH3+])[C@H](C[NH3+])C1 ZINC000389963431 357075139 /nfs/dbraw/zinc/07/51/39/357075139.db2.gz WODCSQRRHCYXOS-KXUCPTDWSA-N 2 0 201.314 -0.228 20 0 BBADRP CO[C@@H]1CCN(C[C@H](C)[NH3+])[C@H](C[NH3+])C1 ZINC000389963432 357075361 /nfs/dbraw/zinc/07/53/61/357075361.db2.gz WODCSQRRHCYXOS-LPEHRKFASA-N 2 0 201.314 -0.228 20 0 BBADRP CO[C@@H]1CCN(C[C@@H](C)[NH3+])[C@@H](C[NH3+])C1 ZINC000389963433 357075175 /nfs/dbraw/zinc/07/51/75/357075175.db2.gz WODCSQRRHCYXOS-OPRDCNLKSA-N 2 0 201.314 -0.228 20 0 BBADRP C[NH+](C)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000390125385 357083197 /nfs/dbraw/zinc/08/31/97/357083197.db2.gz GEUCTGDBZHIUMY-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH+](C)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000390125386 357082924 /nfs/dbraw/zinc/08/29/24/357082924.db2.gz GEUCTGDBZHIUMY-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP CC(C)(C[NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000390222141 357087097 /nfs/dbraw/zinc/08/70/97/357087097.db2.gz ZKNWEELFEUVVOY-MRVPVSSYSA-N 2 0 215.297 -0.843 20 0 BBADRP CC(C)(C[NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000390222143 357087084 /nfs/dbraw/zinc/08/70/84/357087084.db2.gz ZKNWEELFEUVVOY-QMMMGPOBSA-N 2 0 215.297 -0.843 20 0 BBADRP N#Cc1ccc(CNC(C[NH3+])C[NH3+])cc1 ZINC000390248880 711109944 /nfs/dbraw/zinc/10/99/44/711109944.db2.gz JXYRSYQLSCHKLP-UHFFFAOYSA-N 2 0 204.277 -0.066 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)COCC[NH3+] ZINC000390261287 398169008 /nfs/dbraw/zinc/16/90/08/398169008.db2.gz NZIORTCNDMXMDV-JTQLQIEISA-N 2 0 217.313 -0.549 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)COCC[NH3+] ZINC000390261288 398169131 /nfs/dbraw/zinc/16/91/31/398169131.db2.gz NZIORTCNDMXMDV-SNVBAGLBSA-N 2 0 217.313 -0.549 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000390262041 397884448 /nfs/dbraw/zinc/88/44/48/397884448.db2.gz OGDIOAIPISBSOY-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390262042 398169058 /nfs/dbraw/zinc/16/90/58/398169058.db2.gz OGDIOAIPISBSOY-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000390262043 397884402 /nfs/dbraw/zinc/88/44/02/397884402.db2.gz OGDIOAIPISBSOY-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390262044 397884413 /nfs/dbraw/zinc/88/44/13/397884413.db2.gz OGDIOAIPISBSOY-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP CC(C)([NH3+])CNC(=O)CCOC1C[NH2+]C1 ZINC000390277130 357088071 /nfs/dbraw/zinc/08/80/71/357088071.db2.gz UAWLFBDQRLSXEW-UHFFFAOYSA-N 2 0 215.297 -0.782 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000390280704 488145850 /nfs/dbraw/zinc/14/58/50/488145850.db2.gz VBHWTPNGFWAPEL-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C1(C[NH2+]CCN2CCOC2=O)CCC1 ZINC000390289149 711111076 /nfs/dbraw/zinc/11/10/76/711111076.db2.gz XZCBMVIEFMAVFF-UHFFFAOYSA-N 2 0 213.281 -0.090 20 0 BBADRP [NH3+]CCCCNC(=O)CCOC1C[NH2+]C1 ZINC000390298144 371194069 /nfs/dbraw/zinc/19/40/69/371194069.db2.gz BLCYZSASMIPTIT-UHFFFAOYSA-N 2 0 215.297 -0.780 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000390302028 357086254 /nfs/dbraw/zinc/08/62/54/357086254.db2.gz CSEICSLPRCMFFU-BDAKNGLRSA-N 2 0 209.293 -0.169 20 0 BBADRP [NH3+]CCOCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000390373355 357091108 /nfs/dbraw/zinc/09/11/08/357091108.db2.gz WQWBYRKFTSSUTP-GHMZBOCLSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]CCOCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000390373357 357090881 /nfs/dbraw/zinc/09/08/81/357090881.db2.gz WQWBYRKFTSSUTP-MNOVXSKESA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]CCOCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000390373358 357091079 /nfs/dbraw/zinc/09/10/79/357091079.db2.gz WQWBYRKFTSSUTP-QWRGUYRKSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]CCOCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000390373359 357091278 /nfs/dbraw/zinc/09/12/78/357091278.db2.gz WQWBYRKFTSSUTP-WDEREUQCSA-N 2 0 213.325 -0.355 20 0 BBADRP CC[NH2+]CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000390409166 711115131 /nfs/dbraw/zinc/11/51/31/711115131.db2.gz CXVQGHUWOOZCOI-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[NH2+]CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000390409167 711114993 /nfs/dbraw/zinc/11/49/93/711114993.db2.gz CXVQGHUWOOZCOI-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[NH2+]CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000390409168 711114968 /nfs/dbraw/zinc/11/49/68/711114968.db2.gz CXVQGHUWOOZCOI-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[NH2+]CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000390409170 711114890 /nfs/dbraw/zinc/11/48/90/711114890.db2.gz CXVQGHUWOOZCOI-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP CN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H]1CC[NH2+]C1 ZINC000390410483 371200350 /nfs/dbraw/zinc/20/03/50/371200350.db2.gz DQUPMECOTKEULO-BQBZGAKWSA-N 2 0 221.251 -0.211 20 0 BBADRP CN(C(=O)[C@H]([NH3+])CC(F)F)[C@H]1CC[NH2+]C1 ZINC000390410484 371200438 /nfs/dbraw/zinc/20/04/38/371200438.db2.gz DQUPMECOTKEULO-NKWVEPMBSA-N 2 0 221.251 -0.211 20 0 BBADRP CN(C(=O)[C@H]([NH3+])CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000390410487 371200047 /nfs/dbraw/zinc/20/00/47/371200047.db2.gz DQUPMECOTKEULO-RNFRBKRXSA-N 2 0 221.251 -0.211 20 0 BBADRP CN(C(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000390410488 371200035 /nfs/dbraw/zinc/20/00/35/371200035.db2.gz DQUPMECOTKEULO-RQJHMYQMSA-N 2 0 221.251 -0.211 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000390418743 356511856 /nfs/dbraw/zinc/51/18/56/356511856.db2.gz IRLXBVRWOGEKGH-BDAKNGLRSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000390418744 356512025 /nfs/dbraw/zinc/51/20/25/356512025.db2.gz IRLXBVRWOGEKGH-DTWKUNHWSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000390418745 356511823 /nfs/dbraw/zinc/51/18/23/356511823.db2.gz IRLXBVRWOGEKGH-IUCAKERBSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000390418746 356511829 /nfs/dbraw/zinc/51/18/29/356511829.db2.gz IRLXBVRWOGEKGH-RKDXNWHRSA-N 2 0 215.297 -0.700 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000390434883 371201085 /nfs/dbraw/zinc/20/10/85/371201085.db2.gz BLYJNKMTLPDXRF-QMMMGPOBSA-N 2 0 215.297 -0.652 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](C[NH3+])OC ZINC000390463411 357094945 /nfs/dbraw/zinc/09/49/45/357094945.db2.gz GUQMTFPAGIGHOP-MRVPVSSYSA-N 2 0 217.313 -0.406 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C[NH3+])OC ZINC000390463412 357094434 /nfs/dbraw/zinc/09/44/34/357094434.db2.gz GUQMTFPAGIGHOP-QMMMGPOBSA-N 2 0 217.313 -0.406 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000390466387 398172900 /nfs/dbraw/zinc/17/29/00/398172900.db2.gz HWQNJHNFFQNREV-BDAKNGLRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000390466390 398172896 /nfs/dbraw/zinc/17/28/96/398172896.db2.gz HWQNJHNFFQNREV-DTWKUNHWSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000390466393 398172904 /nfs/dbraw/zinc/17/29/04/398172904.db2.gz HWQNJHNFFQNREV-IUCAKERBSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000390466395 398172950 /nfs/dbraw/zinc/17/29/50/398172950.db2.gz HWQNJHNFFQNREV-RKDXNWHRSA-N 2 0 211.309 -0.161 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000390482779 357095542 /nfs/dbraw/zinc/09/55/42/357095542.db2.gz NKOSSTVINOWDRJ-CIUDSAMLSA-N 2 0 215.297 -0.831 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000390482783 357095930 /nfs/dbraw/zinc/09/59/30/357095930.db2.gz NKOSSTVINOWDRJ-HLTSFMKQSA-N 2 0 215.297 -0.831 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000390482794 357095610 /nfs/dbraw/zinc/09/56/10/357095610.db2.gz NKOSSTVINOWDRJ-YIZRAAEISA-N 2 0 215.297 -0.831 20 0 BBADRP CCN(CC)CC[NH2+]CCC(=O)NC(N)=O ZINC000390482805 259390464 /nfs/dbraw/zinc/39/04/64/259390464.db2.gz NKTRWOGYYXOEIU-UHFFFAOYSA-N 2 0 230.312 -0.497 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)CCOC1C[NH2+]C1 ZINC000390493009 356771919 /nfs/dbraw/zinc/77/19/19/356771919.db2.gz QZPAFTFFUBOESK-MRVPVSSYSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)CCOC1C[NH2+]C1 ZINC000390493013 356772146 /nfs/dbraw/zinc/77/21/46/356772146.db2.gz QZPAFTFFUBOESK-QMMMGPOBSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000390502388 357098680 /nfs/dbraw/zinc/09/86/80/357098680.db2.gz VHPMAWJBOUCNSP-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000390502389 357098743 /nfs/dbraw/zinc/09/87/43/357098743.db2.gz VHPMAWJBOUCNSP-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000390502390 357098747 /nfs/dbraw/zinc/09/87/47/357098747.db2.gz VHPMAWJBOUCNSP-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000390502391 357098771 /nfs/dbraw/zinc/09/87/71/357098771.db2.gz VHPMAWJBOUCNSP-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000390503532 357098641 /nfs/dbraw/zinc/09/86/41/357098641.db2.gz VYANFAHHUNXLIU-BDAKNGLRSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000390503535 357098606 /nfs/dbraw/zinc/09/86/06/357098606.db2.gz VYANFAHHUNXLIU-DTWKUNHWSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000390503536 357098850 /nfs/dbraw/zinc/09/88/50/357098850.db2.gz VYANFAHHUNXLIU-IUCAKERBSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000390503539 357098800 /nfs/dbraw/zinc/09/88/00/357098800.db2.gz VYANFAHHUNXLIU-RKDXNWHRSA-N 2 0 215.297 -0.924 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])COC ZINC000390504664 371209436 /nfs/dbraw/zinc/20/94/36/371209436.db2.gz WKVFBBLUKTZWRF-BDAKNGLRSA-N 2 0 217.313 -0.406 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])COC ZINC000390504667 371209523 /nfs/dbraw/zinc/20/95/23/371209523.db2.gz WKVFBBLUKTZWRF-IUCAKERBSA-N 2 0 217.313 -0.406 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000390506735 398176146 /nfs/dbraw/zinc/17/61/46/398176146.db2.gz XLTBNNDKOYTNMA-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000390506736 357098877 /nfs/dbraw/zinc/09/88/77/357098877.db2.gz XLTBNNDKOYTNMA-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000390506737 398176594 /nfs/dbraw/zinc/17/65/94/398176594.db2.gz XLTBNNDKOYTNMA-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000390506738 357098754 /nfs/dbraw/zinc/09/87/54/357098754.db2.gz XLTBNNDKOYTNMA-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC000390509487 397893633 /nfs/dbraw/zinc/89/36/33/397893633.db2.gz YVOGIVNXDVVYMJ-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC000390509488 398176108 /nfs/dbraw/zinc/17/61/08/398176108.db2.gz YVOGIVNXDVVYMJ-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000390509898 323084586 /nfs/dbraw/zinc/08/45/86/323084586.db2.gz ZAURFNAAGWCAOY-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000390509900 323084610 /nfs/dbraw/zinc/08/46/10/323084610.db2.gz ZAURFNAAGWCAOY-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000390509901 323084571 /nfs/dbraw/zinc/08/45/71/323084571.db2.gz ZAURFNAAGWCAOY-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C[NH3+])OC)C1 ZINC000390509903 323084588 /nfs/dbraw/zinc/08/45/88/323084588.db2.gz ZAURFNAAGWCAOY-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000390516014 259391918 /nfs/dbraw/zinc/39/19/18/259391918.db2.gz CWESFTIMFLRMPO-LLVKDONJSA-N 2 0 229.324 -0.710 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000390516017 259392046 /nfs/dbraw/zinc/39/20/46/259392046.db2.gz CWESFTIMFLRMPO-NSHDSACASA-N 2 0 229.324 -0.710 20 0 BBADRP [NH3+]C[C@H](NC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000390525435 387307652 /nfs/dbraw/zinc/30/76/52/387307652.db2.gz GOUZSDIZPRYLRS-JTQLQIEISA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000390525436 387307704 /nfs/dbraw/zinc/30/77/04/387307704.db2.gz GOUZSDIZPRYLRS-SNVBAGLBSA-N 2 0 211.309 -0.161 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000390537295 357101332 /nfs/dbraw/zinc/10/13/32/357101332.db2.gz KKWNJTWFDWWBIN-DJLDLDEBSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000390537298 347382832 /nfs/dbraw/zinc/38/28/32/347382832.db2.gz KKWNJTWFDWWBIN-HRDYMLBCSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000390537300 357101551 /nfs/dbraw/zinc/10/15/51/357101551.db2.gz KKWNJTWFDWWBIN-IWSPIJDZSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000390537301 357101770 /nfs/dbraw/zinc/10/17/70/357101770.db2.gz KKWNJTWFDWWBIN-XHNCKOQMSA-N 2 0 215.297 -0.831 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000390546439 397895632 /nfs/dbraw/zinc/89/56/32/397895632.db2.gz MYZDTOHIBLEZIC-BDAKNGLRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000390546442 491122222 /nfs/dbraw/zinc/12/22/22/491122222.db2.gz MYZDTOHIBLEZIC-DTWKUNHWSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000390546444 397895627 /nfs/dbraw/zinc/89/56/27/397895627.db2.gz MYZDTOHIBLEZIC-IUCAKERBSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000390546446 397895670 /nfs/dbraw/zinc/89/56/70/397895670.db2.gz MYZDTOHIBLEZIC-RKDXNWHRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000390549273 371215287 /nfs/dbraw/zinc/21/52/87/371215287.db2.gz OATJSFYRRPZJEQ-BQBZGAKWSA-N 2 0 223.267 -0.059 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])CC(F)F ZINC000390549274 371216030 /nfs/dbraw/zinc/21/60/30/371216030.db2.gz OATJSFYRRPZJEQ-NKWVEPMBSA-N 2 0 223.267 -0.059 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])CC(F)F ZINC000390549276 371215631 /nfs/dbraw/zinc/21/56/31/371215631.db2.gz OATJSFYRRPZJEQ-RNFRBKRXSA-N 2 0 223.267 -0.059 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000390549277 371215338 /nfs/dbraw/zinc/21/53/38/371215338.db2.gz OATJSFYRRPZJEQ-RQJHMYQMSA-N 2 0 223.267 -0.059 20 0 BBADRP [NH3+]CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000390555918 488166358 /nfs/dbraw/zinc/16/63/58/488166358.db2.gz QIGIJQAFJVGQCH-ONGXEEELSA-N 2 0 211.309 -0.077 20 0 BBADRP C[NH2+]CCCN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000390556982 711124958 /nfs/dbraw/zinc/12/49/58/711124958.db2.gz ITQQLESFVPKENP-GFCCVEGCSA-N 2 0 229.368 -0.016 20 0 BBADRP C[NH2+]CCCN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000390556983 711124973 /nfs/dbraw/zinc/12/49/73/711124973.db2.gz ITQQLESFVPKENP-LBPRGKRZSA-N 2 0 229.368 -0.016 20 0 BBADRP C[NH2+]C[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000390564224 357105111 /nfs/dbraw/zinc/10/51/11/357105111.db2.gz SRQHSPAGTLYRNN-LLVKDONJSA-N 3 0 215.341 -0.107 20 0 BBADRP C[NH2+]C[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000390564226 357105010 /nfs/dbraw/zinc/10/50/10/357105010.db2.gz SRQHSPAGTLYRNN-NSHDSACASA-N 3 0 215.341 -0.107 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000390566495 259393617 /nfs/dbraw/zinc/39/36/17/259393617.db2.gz TWSPLSOYLDLALQ-BDAKNGLRSA-N 2 0 215.297 -0.700 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000390566497 259393578 /nfs/dbraw/zinc/39/35/78/259393578.db2.gz TWSPLSOYLDLALQ-DTWKUNHWSA-N 2 0 215.297 -0.700 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000390566499 259393560 /nfs/dbraw/zinc/39/35/60/259393560.db2.gz TWSPLSOYLDLALQ-IUCAKERBSA-N 2 0 215.297 -0.700 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000390566501 259393569 /nfs/dbraw/zinc/39/35/69/259393569.db2.gz TWSPLSOYLDLALQ-RKDXNWHRSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)[NH3+])CCO1 ZINC000390569958 397896127 /nfs/dbraw/zinc/89/61/27/397896127.db2.gz UVGSXUUCSOEBEY-HTQZYQBOSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)[NH3+])CCO1 ZINC000390569959 397896103 /nfs/dbraw/zinc/89/61/03/397896103.db2.gz UVGSXUUCSOEBEY-JGVFFNPUSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)[NH3+])CCO1 ZINC000390569960 398174706 /nfs/dbraw/zinc/17/47/06/398174706.db2.gz UVGSXUUCSOEBEY-SFYZADRCSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)[NH3+])CCO1 ZINC000390569961 398174545 /nfs/dbraw/zinc/17/45/45/398174545.db2.gz UVGSXUUCSOEBEY-YUMQZZPRSA-N 2 0 215.297 -0.702 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC1([NH3+])CCC1 ZINC000390584887 357102202 /nfs/dbraw/zinc/10/22/02/357102202.db2.gz XXTFMDSYNRJZFP-MRVPVSSYSA-N 2 0 215.297 -0.652 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC1([NH3+])CCC1 ZINC000390584890 357102180 /nfs/dbraw/zinc/10/21/80/357102180.db2.gz XXTFMDSYNRJZFP-QMMMGPOBSA-N 2 0 215.297 -0.652 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000390602510 357111973 /nfs/dbraw/zinc/11/19/73/357111973.db2.gz BNMJYJCJUOYXAT-WCBMZHEXSA-N 2 0 215.297 -0.796 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000390602511 357112132 /nfs/dbraw/zinc/11/21/32/357112132.db2.gz BNMJYJCJUOYXAT-WPRPVWTQSA-N 2 0 215.297 -0.796 20 0 BBADRP CN(CCN1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000390606320 398175384 /nfs/dbraw/zinc/17/53/84/398175384.db2.gz CTKMVKLZFDUQNM-UHFFFAOYSA-N 2 0 214.357 -0.439 20 0 BBADRP COCCN(C)C[C@H](O)C[N@H+](C)CCCO ZINC000390614669 357107591 /nfs/dbraw/zinc/10/75/91/357107591.db2.gz CLQPZLLKIDIXFB-LLVKDONJSA-N 2 0 234.340 -0.760 20 0 BBADRP COCCN(C)C[C@@H](O)C[N@H+](C)CCCO ZINC000390614670 357107510 /nfs/dbraw/zinc/10/75/10/357107510.db2.gz CLQPZLLKIDIXFB-NSHDSACASA-N 2 0 234.340 -0.760 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000390615273 371219209 /nfs/dbraw/zinc/21/92/09/371219209.db2.gz GQMFGWYGJYOTCS-PSASIEDQSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000390615274 371219509 /nfs/dbraw/zinc/21/95/09/371219509.db2.gz GQMFGWYGJYOTCS-SCZZXKLOSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000390615275 371219579 /nfs/dbraw/zinc/21/95/79/371219579.db2.gz GQMFGWYGJYOTCS-WCBMZHEXSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000390615276 371218356 /nfs/dbraw/zinc/21/83/56/371218356.db2.gz GQMFGWYGJYOTCS-WPRPVWTQSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000390619952 347406417 /nfs/dbraw/zinc/40/64/17/347406417.db2.gz IDZFLVROBIJFOX-BDAKNGLRSA-N 2 0 215.297 -0.700 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000390619956 357108228 /nfs/dbraw/zinc/10/82/28/357108228.db2.gz IDZFLVROBIJFOX-RKDXNWHRSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000390628418 347409123 /nfs/dbraw/zinc/40/91/23/347409123.db2.gz KMFXAHFSQZRNPD-FXBDTBDDSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000390628419 347409118 /nfs/dbraw/zinc/40/91/18/347409118.db2.gz KMFXAHFSQZRNPD-HGNGGELXSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000390628420 357108287 /nfs/dbraw/zinc/10/82/87/357108287.db2.gz KMFXAHFSQZRNPD-SFGNSQDASA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000390628421 357108302 /nfs/dbraw/zinc/10/83/02/357108302.db2.gz KMFXAHFSQZRNPD-UJNFCWOMSA-N 2 0 211.309 -0.162 20 0 BBADRP CC(C)[C@H]1CN(C(=O)C2([NH3+])CC2)CC[NH2+]1 ZINC000390637706 488171785 /nfs/dbraw/zinc/17/17/85/488171785.db2.gz MEXLBXXNBXUYGZ-SECBINFHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN1CCC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000390651424 488171576 /nfs/dbraw/zinc/17/15/76/488171576.db2.gz PGZALGNWBZKOTJ-AXFHLTTASA-N 2 0 223.320 -0.242 20 0 BBADRP CN1CCC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000390651426 539026730 /nfs/dbraw/zinc/02/67/30/539026730.db2.gz PGZALGNWBZKOTJ-DCAQKATOSA-N 2 0 223.320 -0.242 20 0 BBADRP CN1CCC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000390651428 539026571 /nfs/dbraw/zinc/02/65/71/539026571.db2.gz PGZALGNWBZKOTJ-MXWKQRLJSA-N 2 0 223.320 -0.242 20 0 BBADRP CN1CCC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000390651430 487759811 /nfs/dbraw/zinc/75/98/11/487759811.db2.gz PGZALGNWBZKOTJ-OUAUKWLOSA-N 2 0 223.320 -0.242 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)COCC[NH3+] ZINC000390654895 642504456 /nfs/dbraw/zinc/50/44/56/642504456.db2.gz QHPQDNASZOONIZ-SECBINFHSA-N 2 0 217.313 -0.405 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)COCC[NH3+] ZINC000390654897 642504561 /nfs/dbraw/zinc/50/45/61/642504561.db2.gz QHPQDNASZOONIZ-VIFPVBQESA-N 2 0 217.313 -0.405 20 0 BBADRP C[C@@H](C[NH+](C)C)Nc1cc[nH+]cc1C(N)=O ZINC000390655945 357110089 /nfs/dbraw/zinc/11/00/89/357110089.db2.gz QRONPYQBEFYKML-QMMMGPOBSA-N 2 0 222.292 -0.036 20 0 BBADRP C[NH+]1CCC(O)(C[NH2+]Cc2cn[nH]c2)CC1 ZINC000390661713 371225446 /nfs/dbraw/zinc/22/54/46/371225446.db2.gz SKQMZJQTLUEYBS-UHFFFAOYSA-N 2 0 224.308 -0.044 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C[C@@H](C)[NH3+] ZINC000390662421 711130801 /nfs/dbraw/zinc/13/08/01/711130801.db2.gz QOATUBBLGAHCAX-GHMZBOCLSA-N 2 0 233.356 -0.796 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)C[C@@H](C)[NH3+] ZINC000390662425 711130454 /nfs/dbraw/zinc/13/04/54/711130454.db2.gz QOATUBBLGAHCAX-MNOVXSKESA-N 2 0 233.356 -0.796 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)C[C@H](C)[NH3+] ZINC000390662426 711130961 /nfs/dbraw/zinc/13/09/61/711130961.db2.gz QOATUBBLGAHCAX-QWRGUYRKSA-N 2 0 233.356 -0.796 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C[C@H](C)[NH3+] ZINC000390662428 711131103 /nfs/dbraw/zinc/13/11/03/711131103.db2.gz QOATUBBLGAHCAX-WDEREUQCSA-N 2 0 233.356 -0.796 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000390672514 357110661 /nfs/dbraw/zinc/11/06/61/357110661.db2.gz WABNFHSASBCATC-BDAKNGLRSA-N 2 0 231.365 -0.080 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000390672515 357110887 /nfs/dbraw/zinc/11/08/87/357110887.db2.gz WABNFHSASBCATC-RKDXNWHRSA-N 2 0 231.365 -0.080 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH2+]CC1 ZINC000390750509 347452568 /nfs/dbraw/zinc/45/25/68/347452568.db2.gz CIQBIUOASZYLBT-SECBINFHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C1CC[NH2+]CC1 ZINC000390750510 357114886 /nfs/dbraw/zinc/11/48/86/357114886.db2.gz CIQBIUOASZYLBT-VIFPVBQESA-N 2 0 213.325 -0.042 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000390750697 347452397 /nfs/dbraw/zinc/45/23/97/347452397.db2.gz CXZGOUAOUWEWSM-AEJSXWLSSA-N 2 0 211.309 -0.147 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000390750699 398247416 /nfs/dbraw/zinc/24/74/16/398247416.db2.gz CXZGOUAOUWEWSM-BBBLOLIVSA-N 2 0 211.309 -0.147 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000390750700 357114922 /nfs/dbraw/zinc/11/49/22/357114922.db2.gz CXZGOUAOUWEWSM-GUBZILKMSA-N 2 0 211.309 -0.147 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000390750702 398247158 /nfs/dbraw/zinc/24/71/58/398247158.db2.gz CXZGOUAOUWEWSM-UTLUCORTSA-N 2 0 211.309 -0.147 20 0 BBADRP CCC[NH2+]CCNC(=O)COC1C[NH2+]C1 ZINC000390753712 347457903 /nfs/dbraw/zinc/45/79/03/347457903.db2.gz FPSWWJNYISWKNE-UHFFFAOYSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CC(=O)NCCNc1cc[nH+]cc1 ZINC000390756582 357115288 /nfs/dbraw/zinc/11/52/88/357115288.db2.gz IBWBYRMDUJWEPM-UHFFFAOYSA-N 2 0 208.265 -0.749 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000390770832 487839375 /nfs/dbraw/zinc/83/93/75/487839375.db2.gz VYDAAJCINDVCQR-SECBINFHSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000390770833 487839508 /nfs/dbraw/zinc/83/95/08/487839508.db2.gz VYDAAJCINDVCQR-VIFPVBQESA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(NC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000390773719 398246285 /nfs/dbraw/zinc/24/62/85/398246285.db2.gz YNLPRMYKZFVTLA-SECBINFHSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000390780737 357116534 /nfs/dbraw/zinc/11/65/34/357116534.db2.gz JPJKYJRSWISMAL-AEJSXWLSSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000390780738 357116351 /nfs/dbraw/zinc/11/63/51/357116351.db2.gz JPJKYJRSWISMAL-GUBZILKMSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000390781349 398248340 /nfs/dbraw/zinc/24/83/40/398248340.db2.gz KEKLSZOPDJOQTO-IVZWLZJFSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1C ZINC000390781351 398248155 /nfs/dbraw/zinc/24/81/55/398248155.db2.gz KEKLSZOPDJOQTO-KXUCPTDWSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1C ZINC000390781352 398248294 /nfs/dbraw/zinc/24/82/94/398248294.db2.gz KEKLSZOPDJOQTO-LPEHRKFASA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1C ZINC000390781354 398248153 /nfs/dbraw/zinc/24/81/53/398248153.db2.gz KEKLSZOPDJOQTO-OPRDCNLKSA-N 2 0 211.309 -0.053 20 0 BBADRP CC[NH2+]CCCNC(=O)C[NH2+]CCOC ZINC000390782124 357116484 /nfs/dbraw/zinc/11/64/84/357116484.db2.gz KWLYJKFAGGBWAH-UHFFFAOYSA-N 2 0 217.313 -0.662 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000390797172 357116612 /nfs/dbraw/zinc/11/66/12/357116612.db2.gz SZJCERPKHJJGPA-AEJSXWLSSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000390797173 357116652 /nfs/dbraw/zinc/11/66/52/357116652.db2.gz SZJCERPKHJJGPA-GUBZILKMSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000390797174 357116563 /nfs/dbraw/zinc/11/65/63/357116563.db2.gz SZJCERPKHJJGPA-IVZWLZJFSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000390797175 357116406 /nfs/dbraw/zinc/11/64/06/357116406.db2.gz SZJCERPKHJJGPA-LPEHRKFASA-N 2 0 211.309 -0.195 20 0 BBADRP O=C(C[NH2+]C1CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000390798549 488179880 /nfs/dbraw/zinc/17/98/80/488179880.db2.gz VINLVXKRIDFTKC-JTQLQIEISA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[NH2+]C1CC1)NC[C@H]1CCCC[NH2+]1 ZINC000390798550 488179904 /nfs/dbraw/zinc/17/99/04/488179904.db2.gz VINLVXKRIDFTKC-SNVBAGLBSA-N 2 0 211.309 -0.003 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000390798752 411311055 /nfs/dbraw/zinc/31/10/55/411311055.db2.gz VQHDLGHVHDVFLU-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCCN(C)CCN1CC[NH2+]CC1 ZINC000390814173 357926168 /nfs/dbraw/zinc/92/61/68/357926168.db2.gz GEDGMQDWZFRMIO-UHFFFAOYSA-N 2 0 214.357 -0.567 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000390817360 398250024 /nfs/dbraw/zinc/25/00/24/398250024.db2.gz OBWNJGJMCXIDBM-BBBLOLIVSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000390817361 398250760 /nfs/dbraw/zinc/25/07/60/398250760.db2.gz OBWNJGJMCXIDBM-OPRDCNLKSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(NC(=O)C[NH2+]C2CC2)CC[NH2+]CC1 ZINC000390819649 357117389 /nfs/dbraw/zinc/11/73/89/357117389.db2.gz ULLCTEMAIBKWBO-UHFFFAOYSA-N 2 0 211.309 -0.003 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000390820500 491125645 /nfs/dbraw/zinc/12/56/45/491125645.db2.gz WIVSSOMNDCLASW-BDAKNGLRSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000390820501 491125671 /nfs/dbraw/zinc/12/56/71/491125671.db2.gz WIVSSOMNDCLASW-DTWKUNHWSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000390820502 491125640 /nfs/dbraw/zinc/12/56/40/491125640.db2.gz WIVSSOMNDCLASW-IUCAKERBSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000390820503 398252625 /nfs/dbraw/zinc/25/26/25/398252625.db2.gz WIVSSOMNDCLASW-RKDXNWHRSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000390821345 259416133 /nfs/dbraw/zinc/41/61/33/259416133.db2.gz YKAPQWOEPIZMAC-KXUCPTDWSA-N 2 0 209.293 -0.299 20 0 BBADRP O=C(NCC[N@H+]1CC=CCC1)[C@H]1C[NH2+]CCO1 ZINC000392816861 398335419 /nfs/dbraw/zinc/33/54/19/398335419.db2.gz MNTUZENLUKHLJF-LLVKDONJSA-N 2 0 239.319 -0.647 20 0 BBADRP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1C[NH2+]CCO1 ZINC000392816862 398335431 /nfs/dbraw/zinc/33/54/31/398335431.db2.gz MNTUZENLUKHLJF-NSHDSACASA-N 2 0 239.319 -0.647 20 0 BBADRP [NH3+]CCOCC(=O)NCC[N@H+]1CC=CCC1 ZINC000392832962 398335661 /nfs/dbraw/zinc/33/56/61/398335661.db2.gz GHIPIZAMMZAJLF-UHFFFAOYSA-N 2 0 227.308 -0.660 20 0 BBADRP C[NH2+]CCC(=O)NCC[N@H+]1CC=CCC1 ZINC000392848139 387293814 /nfs/dbraw/zinc/29/38/14/387293814.db2.gz DGOUXRMZXDWGCN-UHFFFAOYSA-N 2 0 211.309 -0.026 20 0 BBADRP COCC[NH2+]CC(=O)NCC[N@H+]1CC=CCC1 ZINC000392861308 357260197 /nfs/dbraw/zinc/26/01/97/357260197.db2.gz KJQMXAIFXVETOJ-UHFFFAOYSA-N 2 0 241.335 -0.400 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392863228 357260037 /nfs/dbraw/zinc/26/00/37/357260037.db2.gz QNOICRJEAAGCKT-JTQLQIEISA-N 2 0 227.308 -0.662 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392863229 357259590 /nfs/dbraw/zinc/25/95/90/357259590.db2.gz QNOICRJEAAGCKT-SNVBAGLBSA-N 2 0 227.308 -0.662 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392873712 357261164 /nfs/dbraw/zinc/26/11/64/357261164.db2.gz KYJMTMAEIGAAPB-JTQLQIEISA-N 2 0 211.309 -0.041 20 0 BBADRP C[C@H](C[NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392873714 357260778 /nfs/dbraw/zinc/26/07/78/357260778.db2.gz KYJMTMAEIGAAPB-SNVBAGLBSA-N 2 0 211.309 -0.041 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CC=CCC1 ZINC000392906383 357263413 /nfs/dbraw/zinc/26/34/13/357263413.db2.gz UCISUVHGBYTHBB-LLVKDONJSA-N 2 0 241.335 -0.272 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CC=CCC1 ZINC000392906386 357263006 /nfs/dbraw/zinc/26/30/06/357263006.db2.gz UCISUVHGBYTHBB-NSHDSACASA-N 2 0 241.335 -0.272 20 0 BBADRP Cc1nc(N)nc(NCC2=CC[N@H+](C)CC2)n1 ZINC000392927247 411945358 /nfs/dbraw/zinc/94/53/58/411945358.db2.gz RETPIFLROROTBP-UHFFFAOYSA-N 2 0 234.307 -0.142 20 0 BBADRP O=C(CN[C@H]1CCC[NH2+]C1)NCC1CC1 ZINC000392983233 357267687 /nfs/dbraw/zinc/26/76/87/357267687.db2.gz GPYMNQVTQXFDTP-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000393225511 357279498 /nfs/dbraw/zinc/27/94/98/357279498.db2.gz SLTFMFSXZIHKIX-YIZRAAEISA-N 2 0 215.297 -0.796 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CCOCC[NH3+] ZINC000393232746 488088945 /nfs/dbraw/zinc/08/89/45/488088945.db2.gz HIMTWXOLTSXMCQ-UWVGGRQHSA-N 2 0 219.304 -0.407 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@H]1NCCO[C@@H]1C ZINC000393264850 387900322 /nfs/dbraw/zinc/90/03/22/387900322.db2.gz NPKSPKLZIYUJCU-ZJUUUORDSA-N 2 0 229.324 -0.569 20 0 BBADRP CC[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000393442367 711159534 /nfs/dbraw/zinc/15/95/34/711159534.db2.gz OPHJPLCTBWGZHM-YUMQZZPRSA-N 2 0 203.261 -0.588 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000393528125 410747199 /nfs/dbraw/zinc/74/71/99/410747199.db2.gz UKZRZVOPAMXULT-IVZWLZJFSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000393528126 487575753 /nfs/dbraw/zinc/57/57/53/487575753.db2.gz UKZRZVOPAMXULT-LPEHRKFASA-N 2 0 211.309 -0.018 20 0 BBADRP Cn1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000393604251 711165427 /nfs/dbraw/zinc/16/54/27/711165427.db2.gz BVTKSFQVONIZPN-SECBINFHSA-N 2 0 209.297 -0.014 20 0 BBADRP Cn1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000393604252 711165861 /nfs/dbraw/zinc/16/58/61/711165861.db2.gz BVTKSFQVONIZPN-VIFPVBQESA-N 2 0 209.297 -0.014 20 0 BBADRP Cc1ncc(CNC(C[NH3+])C[NH3+])s1 ZINC000393617528 711166837 /nfs/dbraw/zinc/16/68/37/711166837.db2.gz COLPBPNVYYTVJY-UHFFFAOYSA-N 2 0 200.311 -0.173 20 0 BBADRP CCN1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000393635459 388436597 /nfs/dbraw/zinc/43/65/97/388436597.db2.gz VVJFOIJGYGALIO-GMTAPVOTSA-N 2 0 216.325 -0.077 20 0 BBADRP CCN1C[C@@H](C)[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000393635712 388435972 /nfs/dbraw/zinc/43/59/72/388435972.db2.gz VVJFOIJGYGALIO-MXWKQRLJSA-N 2 0 216.325 -0.077 20 0 BBADRP CN(CC[NH3+])C[C@@H](O)C[NH+]1CCCC1 ZINC000393670602 711169960 /nfs/dbraw/zinc/16/99/60/711169960.db2.gz UXNWQLCTFHWKEY-SNVBAGLBSA-N 2 0 201.314 -0.666 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000393741501 410757277 /nfs/dbraw/zinc/75/72/77/410757277.db2.gz FSWQOSSFWODXKY-IVZWLZJFSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000393741502 410757408 /nfs/dbraw/zinc/75/74/08/410757408.db2.gz FSWQOSSFWODXKY-LPEHRKFASA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCC[NH3+])CCO1 ZINC000393742888 410756855 /nfs/dbraw/zinc/75/68/55/410756855.db2.gz CYLNOEKSHBTMBR-BDAKNGLRSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CCC[NH3+])CCO1 ZINC000393742889 410757698 /nfs/dbraw/zinc/75/76/98/410757698.db2.gz CYLNOEKSHBTMBR-DTWKUNHWSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CCC[NH3+])CCO1 ZINC000393742890 410756728 /nfs/dbraw/zinc/75/67/28/410756728.db2.gz CYLNOEKSHBTMBR-IUCAKERBSA-N 2 0 215.297 -0.700 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CCC[NH3+])CCO1 ZINC000393742891 410757824 /nfs/dbraw/zinc/75/78/24/410757824.db2.gz CYLNOEKSHBTMBR-RKDXNWHRSA-N 2 0 215.297 -0.700 20 0 BBADRP COC[C@@]1(C(=O)NCCCC[NH3+])CC[NH2+]C1 ZINC000393743334 343922665 /nfs/dbraw/zinc/92/26/65/343922665.db2.gz DCAFZFFNIKEOMW-LLVKDONJSA-N 2 0 229.324 -0.532 20 0 BBADRP COC[C@]1(C(=O)NCCCC[NH3+])CC[NH2+]C1 ZINC000393743335 343922532 /nfs/dbraw/zinc/92/25/32/343922532.db2.gz DCAFZFFNIKEOMW-NSHDSACASA-N 2 0 229.324 -0.532 20 0 BBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000393748418 357405777 /nfs/dbraw/zinc/40/57/77/357405777.db2.gz MFQGDPUOCUNCKE-BQBZGAKWSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000393748419 357295346 /nfs/dbraw/zinc/29/53/46/357295346.db2.gz MFQGDPUOCUNCKE-NKWVEPMBSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000393748420 357295245 /nfs/dbraw/zinc/29/52/45/357295245.db2.gz MFQGDPUOCUNCKE-RNFRBKRXSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000393748421 357295220 /nfs/dbraw/zinc/29/52/20/357295220.db2.gz MFQGDPUOCUNCKE-RQJHMYQMSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000393749658 410755525 /nfs/dbraw/zinc/75/55/25/410755525.db2.gz BBRIYZKZJGYYOA-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000393749664 410754456 /nfs/dbraw/zinc/75/44/56/410754456.db2.gz BBRIYZKZJGYYOA-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000393749669 410755503 /nfs/dbraw/zinc/75/55/03/410755503.db2.gz BBRIYZKZJGYYOA-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000393749671 410755697 /nfs/dbraw/zinc/75/56/97/410755697.db2.gz BBRIYZKZJGYYOA-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP CN(C[C@H](O)C[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000393754059 711172948 /nfs/dbraw/zinc/17/29/48/711172948.db2.gz RCYNDBFOYVSKMB-NEPJUHHUSA-N 2 0 227.352 -0.263 20 0 BBADRP CN(C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000393754061 711172860 /nfs/dbraw/zinc/17/28/60/711172860.db2.gz RCYNDBFOYVSKMB-NWDGAFQWSA-N 2 0 227.352 -0.263 20 0 BBADRP CN(C[C@H](O)C[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000393754063 711172331 /nfs/dbraw/zinc/17/23/31/711172331.db2.gz RCYNDBFOYVSKMB-RYUDHWBXSA-N 2 0 227.352 -0.263 20 0 BBADRP CN(C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000393754065 711172319 /nfs/dbraw/zinc/17/23/19/711172319.db2.gz RCYNDBFOYVSKMB-VXGBXAGGSA-N 2 0 227.352 -0.263 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C[NH3+])OC ZINC000393754220 259710894 /nfs/dbraw/zinc/71/08/94/259710894.db2.gz VPTZFJFOGGBNHX-BDAKNGLRSA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H](C[NH3+])OC ZINC000393754221 388441051 /nfs/dbraw/zinc/44/10/51/388441051.db2.gz VPTZFJFOGGBNHX-DTWKUNHWSA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H](C[NH3+])OC ZINC000393754222 388441012 /nfs/dbraw/zinc/44/10/12/388441012.db2.gz VPTZFJFOGGBNHX-IUCAKERBSA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@H](C[NH3+])OC ZINC000393754223 259710963 /nfs/dbraw/zinc/71/09/63/259710963.db2.gz VPTZFJFOGGBNHX-RKDXNWHRSA-N 2 0 217.313 -0.678 20 0 BBADRP [NH3+]C1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCC1 ZINC000393768607 710673683 /nfs/dbraw/zinc/67/36/83/710673683.db2.gz RLYZBXCJIMFQEZ-JTQLQIEISA-N 2 0 215.272 -0.314 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCC1 ZINC000393768610 710673317 /nfs/dbraw/zinc/67/33/17/710673317.db2.gz RLYZBXCJIMFQEZ-SNVBAGLBSA-N 2 0 215.272 -0.314 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000393770027 357297153 /nfs/dbraw/zinc/29/71/53/357297153.db2.gz SCAPDDXHCIERDR-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000393770028 357297466 /nfs/dbraw/zinc/29/74/66/357297466.db2.gz SCAPDDXHCIERDR-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)COCC[NH3+])C1CC1 ZINC000393772816 490689352 /nfs/dbraw/zinc/68/93/52/490689352.db2.gz IDDLKBAFKKFHJA-JTQLQIEISA-N 2 0 215.297 -0.795 20 0 BBADRP C[C@](C[NH3+])(NC(=O)COCC[NH3+])C1CC1 ZINC000393772817 490689413 /nfs/dbraw/zinc/68/94/13/490689413.db2.gz IDDLKBAFKKFHJA-SNVBAGLBSA-N 2 0 215.297 -0.795 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000393778989 388441884 /nfs/dbraw/zinc/44/18/84/388441884.db2.gz IDFINBWVPLAABA-BDAKNGLRSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000393778990 388442090 /nfs/dbraw/zinc/44/20/90/388442090.db2.gz IDFINBWVPLAABA-DTWKUNHWSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000393778992 259712393 /nfs/dbraw/zinc/71/23/93/259712393.db2.gz IDFINBWVPLAABA-IUCAKERBSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000393778994 388441850 /nfs/dbraw/zinc/44/18/50/388441850.db2.gz IDFINBWVPLAABA-RKDXNWHRSA-N 2 0 215.297 -0.796 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000393781453 487687385 /nfs/dbraw/zinc/68/73/85/487687385.db2.gz PMFLKIHTYTVECU-KOLCDFICSA-N 2 0 209.293 -0.440 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000393781455 487688098 /nfs/dbraw/zinc/68/80/98/487688098.db2.gz PMFLKIHTYTVECU-MWLCHTKSSA-N 2 0 209.293 -0.440 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000393788787 357299125 /nfs/dbraw/zinc/29/91/25/357299125.db2.gz BZIJMLISQPHQPL-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000393788790 357299601 /nfs/dbraw/zinc/29/96/01/357299601.db2.gz BZIJMLISQPHQPL-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(CCC[NH3+])C(=O)c1c[nH+]ccc1N ZINC000393793082 410759826 /nfs/dbraw/zinc/75/98/26/410759826.db2.gz IDDZTONBLZBLAK-UHFFFAOYSA-N 2 0 208.265 -0.085 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000393800585 410760063 /nfs/dbraw/zinc/76/00/63/410760063.db2.gz LMEGBNSXZBBRQR-BDAKNGLRSA-N 2 0 215.297 -0.652 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000393800586 410759997 /nfs/dbraw/zinc/75/99/97/410759997.db2.gz LMEGBNSXZBBRQR-DTWKUNHWSA-N 2 0 215.297 -0.652 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000393800588 410760090 /nfs/dbraw/zinc/76/00/90/410760090.db2.gz LMEGBNSXZBBRQR-IUCAKERBSA-N 2 0 215.297 -0.652 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393800590 410760210 /nfs/dbraw/zinc/76/02/10/410760210.db2.gz LMEGBNSXZBBRQR-RKDXNWHRSA-N 2 0 215.297 -0.652 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)COCC[NH3+] ZINC000393809750 410761372 /nfs/dbraw/zinc/76/13/72/410761372.db2.gz RRVZKFGYIQHDDD-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP [NH3+]CCOc1cccc(NC(=O)C[NH3+])c1 ZINC000393809751 711175961 /nfs/dbraw/zinc/17/59/61/711175961.db2.gz SRFKSMXKWDSZHN-UHFFFAOYSA-N 2 0 209.249 -0.079 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000393810490 357301144 /nfs/dbraw/zinc/30/11/44/357301144.db2.gz UNIJJAZSQGAHNV-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000393810491 357300957 /nfs/dbraw/zinc/30/09/57/357300957.db2.gz UNIJJAZSQGAHNV-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)C[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000393810492 357301093 /nfs/dbraw/zinc/30/10/93/357301093.db2.gz UNIJJAZSQGAHNV-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)C[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000393810493 357301223 /nfs/dbraw/zinc/30/12/23/357301223.db2.gz UNIJJAZSQGAHNV-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000393810741 357301180 /nfs/dbraw/zinc/30/11/80/357301180.db2.gz UXYAAULBJPZAMX-ULKQDVFKSA-N 2 0 211.309 -0.053 20 0 BBADRP COC[C@@]1(C(=O)NCc2c[nH]cn2)CC[NH2+]C1 ZINC000393833181 410759484 /nfs/dbraw/zinc/75/94/84/410759484.db2.gz LRIMMEKYDPFFGN-LLVKDONJSA-N 2 0 238.291 -0.348 20 0 BBADRP COC[C@]1(C(=O)NCc2c[nH]cn2)CC[NH2+]C1 ZINC000393833184 410759841 /nfs/dbraw/zinc/75/98/41/410759841.db2.gz LRIMMEKYDPFFGN-NSHDSACASA-N 2 0 238.291 -0.348 20 0 BBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000393843138 487764466 /nfs/dbraw/zinc/76/44/66/487764466.db2.gz XVAZNEAUPFHOJM-LLVKDONJSA-N 2 0 240.351 -0.993 20 0 BBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]C1 ZINC000393843139 487764150 /nfs/dbraw/zinc/76/41/50/487764150.db2.gz XVAZNEAUPFHOJM-NSHDSACASA-N 2 0 240.351 -0.993 20 0 BBADRP CN(CCOCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000393921807 711179452 /nfs/dbraw/zinc/17/94/52/711179452.db2.gz BTXNMACQUORGSO-GFCCVEGCSA-N 2 0 246.351 -0.616 20 0 BBADRP CN(CCOCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000393921808 711179345 /nfs/dbraw/zinc/17/93/45/711179345.db2.gz BTXNMACQUORGSO-LBPRGKRZSA-N 2 0 246.351 -0.616 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000393941107 357320996 /nfs/dbraw/zinc/32/09/96/357320996.db2.gz IHZHRWNVQIRAKA-YIZRAAEISA-N 2 0 215.297 -0.654 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000393972392 410768960 /nfs/dbraw/zinc/76/89/60/410768960.db2.gz RUKGIQOSQMSIRE-LRPJSKTQSA-N 2 0 209.293 -0.315 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000393978019 357313183 /nfs/dbraw/zinc/31/31/83/357313183.db2.gz YCDPLDQMURANOG-YIZRAAEISA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394378642 487661352 /nfs/dbraw/zinc/66/13/52/487661352.db2.gz ALAATNBJGXJJQC-GHMZBOCLSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394378643 490480001 /nfs/dbraw/zinc/48/00/01/490480001.db2.gz ALAATNBJGXJJQC-MNOVXSKESA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394378644 358040402 /nfs/dbraw/zinc/04/04/02/358040402.db2.gz ALAATNBJGXJJQC-QWRGUYRKSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394378645 358040247 /nfs/dbraw/zinc/04/02/47/358040247.db2.gz ALAATNBJGXJJQC-WDEREUQCSA-N 2 0 240.351 -0.770 20 0 BBADRP CC(C)([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394379082 487661461 /nfs/dbraw/zinc/66/14/61/487661461.db2.gz BOOCTJXJOGUFPV-JTQLQIEISA-N 2 0 240.351 -0.770 20 0 BBADRP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394379085 487661550 /nfs/dbraw/zinc/66/15/50/487661550.db2.gz BOOCTJXJOGUFPV-SNVBAGLBSA-N 2 0 240.351 -0.770 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394380450 487669278 /nfs/dbraw/zinc/66/92/78/487669278.db2.gz HPRZDTAJTVXNOW-QWRGUYRKSA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394380452 487669531 /nfs/dbraw/zinc/66/95/31/487669531.db2.gz HPRZDTAJTVXNOW-WDEREUQCSA-N 2 0 240.351 -0.900 20 0 BBADRP [NH3+]CCCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394381346 487669817 /nfs/dbraw/zinc/66/98/17/487669817.db2.gz LERQBOQAWJWVNY-LLVKDONJSA-N 2 0 240.351 -0.769 20 0 BBADRP [NH3+]CCCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394381347 487669570 /nfs/dbraw/zinc/66/95/70/487669570.db2.gz LERQBOQAWJWVNY-NSHDSACASA-N 2 0 240.351 -0.769 20 0 BBADRP C[NH2+]CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394381979 487669399 /nfs/dbraw/zinc/66/93/99/487669399.db2.gz OLLHUJFIUPLHRE-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP C[NH2+]CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394381980 487669630 /nfs/dbraw/zinc/66/96/30/487669630.db2.gz OLLHUJFIUPLHRE-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382171 487669290 /nfs/dbraw/zinc/66/92/90/487669290.db2.gz PUYRXSDOFABUMD-GHMZBOCLSA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394382172 487669388 /nfs/dbraw/zinc/66/93/88/487669388.db2.gz PUYRXSDOFABUMD-MNOVXSKESA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394382175 487669739 /nfs/dbraw/zinc/66/97/39/487669739.db2.gz PUYRXSDOFABUMD-QWRGUYRKSA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382176 487669306 /nfs/dbraw/zinc/66/93/06/487669306.db2.gz PUYRXSDOFABUMD-WDEREUQCSA-N 2 0 240.351 -0.913 20 0 BBADRP CC[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382753 711189731 /nfs/dbraw/zinc/18/97/31/711189731.db2.gz SYVRNHSDLSFDJJ-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP CC[NH2+]CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394382754 711190404 /nfs/dbraw/zinc/19/04/04/711190404.db2.gz SYVRNHSDLSFDJJ-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382784 487669425 /nfs/dbraw/zinc/66/94/25/487669425.db2.gz UKZWYJIIAQRANW-GHMZBOCLSA-N 2 0 240.351 -0.770 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382785 487669267 /nfs/dbraw/zinc/66/92/67/487669267.db2.gz UKZWYJIIAQRANW-MNOVXSKESA-N 2 0 240.351 -0.770 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394382786 487669255 /nfs/dbraw/zinc/66/92/55/487669255.db2.gz UKZWYJIIAQRANW-QWRGUYRKSA-N 2 0 240.351 -0.770 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394382787 487670400 /nfs/dbraw/zinc/67/04/00/487670400.db2.gz UKZWYJIIAQRANW-WDEREUQCSA-N 2 0 240.351 -0.770 20 0 BBADRP CCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000394711873 711196756 /nfs/dbraw/zinc/19/67/56/711196756.db2.gz QJWKSYYTMNSMTE-SECBINFHSA-N 2 0 211.313 -0.880 20 0 BBADRP CCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000394711876 711196342 /nfs/dbraw/zinc/19/63/42/711196342.db2.gz QJWKSYYTMNSMTE-VIFPVBQESA-N 2 0 211.313 -0.880 20 0 BBADRP CN1CCC[NH+]=C1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000394724704 711196143 /nfs/dbraw/zinc/19/61/43/711196143.db2.gz YFMXFZABFCBLEU-LLVKDONJSA-N 2 0 237.351 -0.733 20 0 BBADRP CN1CCC[NH+]=C1NC[C@H]1C[NH+]2CCN1CC2 ZINC000394724719 711196700 /nfs/dbraw/zinc/19/67/00/711196700.db2.gz YFMXFZABFCBLEU-NSHDSACASA-N 2 0 237.351 -0.733 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000394818579 386477110 /nfs/dbraw/zinc/47/71/10/386477110.db2.gz BLLDTPIZWMCMDS-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000394818582 386477795 /nfs/dbraw/zinc/47/77/95/386477795.db2.gz BLLDTPIZWMCMDS-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP Cn1nncc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000394909663 323155355 /nfs/dbraw/zinc/15/53/55/323155355.db2.gz TZVUPWSKRGLSLE-GXSJLCMTSA-N 2 0 221.308 -0.001 20 0 BBADRP Cn1nncc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000394909665 323155406 /nfs/dbraw/zinc/15/54/06/323155406.db2.gz TZVUPWSKRGLSLE-KOLCDFICSA-N 2 0 221.308 -0.001 20 0 BBADRP Cn1nncc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000394909667 323155422 /nfs/dbraw/zinc/15/54/22/323155422.db2.gz TZVUPWSKRGLSLE-MWLCHTKSSA-N 2 0 221.308 -0.001 20 0 BBADRP Cn1nncc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000394909670 323155453 /nfs/dbraw/zinc/15/54/53/323155453.db2.gz TZVUPWSKRGLSLE-ONGXEEELSA-N 2 0 221.308 -0.001 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN(C)C1CC([NH3+])C1 ZINC000395329007 711209050 /nfs/dbraw/zinc/20/90/50/711209050.db2.gz FAACHPYJAMNZSA-HTAVTVPLSA-N 2 0 245.367 -0.653 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN(C)C1CC([NH3+])C1 ZINC000395329008 711208380 /nfs/dbraw/zinc/20/83/80/711208380.db2.gz FAACHPYJAMNZSA-MCIGGMRASA-N 2 0 245.367 -0.653 20 0 BBADRP O=C1NCC[C@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000395844155 487877330 /nfs/dbraw/zinc/87/73/30/487877330.db2.gz JKEYJSXWTPIGKW-GARJFASQSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C1NCC[C@@H]1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000395844156 487877379 /nfs/dbraw/zinc/87/73/79/487877379.db2.gz JKEYJSXWTPIGKW-GMTAPVOTSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C1NCC[C@@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000395844157 487877361 /nfs/dbraw/zinc/87/73/61/487877361.db2.gz JKEYJSXWTPIGKW-MXWKQRLJSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C1NCC[C@@H]1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000395844159 487877675 /nfs/dbraw/zinc/87/76/75/487877675.db2.gz JKEYJSXWTPIGKW-VWYCJHECSA-N 2 0 223.320 -0.336 20 0 BBADRP C[C@H](NC(=O)COCC[NH3+])C1CC[NH+](C)CC1 ZINC000396466645 410885336 /nfs/dbraw/zinc/88/53/36/410885336.db2.gz PNZRHIGRPCOLPC-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@@H](NC(=O)COCC[NH3+])C1CC[NH+](C)CC1 ZINC000396466647 410886573 /nfs/dbraw/zinc/88/65/73/410886573.db2.gz PNZRHIGRPCOLPC-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396475125 410879777 /nfs/dbraw/zinc/87/97/77/410879777.db2.gz WGYOYWFPNXPOJP-GXSJLCMTSA-N 2 0 243.351 -0.193 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396475127 410880125 /nfs/dbraw/zinc/88/01/25/410880125.db2.gz WGYOYWFPNXPOJP-KOLCDFICSA-N 2 0 243.351 -0.193 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396475129 410880502 /nfs/dbraw/zinc/88/05/02/410880502.db2.gz WGYOYWFPNXPOJP-MWLCHTKSSA-N 2 0 243.351 -0.193 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396475130 410879910 /nfs/dbraw/zinc/87/99/10/410879910.db2.gz WGYOYWFPNXPOJP-ONGXEEELSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1C[N@H+](C)CCN1C ZINC000396592987 711359335 /nfs/dbraw/zinc/35/93/35/711359335.db2.gz KKCNBKQBWFCQCZ-AVGNSLFASA-N 2 0 240.395 -0.038 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1C[N@H+](C)CCN1C ZINC000396592988 711359119 /nfs/dbraw/zinc/35/91/19/711359119.db2.gz KKCNBKQBWFCQCZ-RWMBFGLXSA-N 2 0 240.395 -0.038 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1C[N@H+](C)CCN1C ZINC000396592989 711359832 /nfs/dbraw/zinc/35/98/32/711359832.db2.gz KKCNBKQBWFCQCZ-XQQFMLRXSA-N 2 0 240.395 -0.038 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1C[N@H+](C)CCN1C ZINC000396592990 711358622 /nfs/dbraw/zinc/35/86/22/711358622.db2.gz KKCNBKQBWFCQCZ-YNEHKIRRSA-N 2 0 240.395 -0.038 20 0 BBADRP CON(C)C(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000397535193 711385171 /nfs/dbraw/zinc/38/51/71/711385171.db2.gz OSQJZBIUVOIEGM-UHFFFAOYSA-N 2 0 229.324 -0.062 20 0 BBADRP Cn1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)n1 ZINC000397560884 350916577 /nfs/dbraw/zinc/91/65/77/350916577.db2.gz WFFXQZHNAMGIHF-UHFFFAOYSA-N 2 0 238.335 -0.034 20 0 BBADRP Cc1cnccc1CC[NH2+]C(CO)CO ZINC000397646334 357916776 /nfs/dbraw/zinc/91/67/76/357916776.db2.gz VBDSPSSJVCBZJW-UHFFFAOYSA-N 2 0 210.277 -0.125 20 0 BBADRP C[NH+](C)CCOCCNC(=O)CC1([NH3+])CC1 ZINC000398075511 488207396 /nfs/dbraw/zinc/20/73/96/488207396.db2.gz IMDVYYRZEMBSNK-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP [NH3+]C1(CC(=O)NCCN2CCOCC2)CC1 ZINC000398083124 487602872 /nfs/dbraw/zinc/60/28/72/487602872.db2.gz KTYJYFPFIYWUIF-UHFFFAOYSA-N 2 0 227.308 -0.684 20 0 BBADRP COCC[N@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000398103042 487604441 /nfs/dbraw/zinc/60/44/41/487604441.db2.gz UOJQCHREJDILKE-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP COC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000398111718 384809125 /nfs/dbraw/zinc/80/91/25/384809125.db2.gz OCXJSCXDEABTCY-GFCCVEGCSA-N 2 0 227.352 -0.094 20 0 BBADRP COC[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000398111719 322864671 /nfs/dbraw/zinc/86/46/71/322864671.db2.gz OCXJSCXDEABTCY-LBPRGKRZSA-N 2 0 227.352 -0.094 20 0 BBADRP [NH3+]C1(CC(=O)NCCn2ccnc2)CC1 ZINC000398153336 488212930 /nfs/dbraw/zinc/21/29/30/488212930.db2.gz HJMNZFKEUVZBKP-UHFFFAOYSA-N 2 0 208.265 -0.119 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398186161 488214266 /nfs/dbraw/zinc/21/42/66/488214266.db2.gz ZBTLNBQJACFTQZ-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398186164 488213952 /nfs/dbraw/zinc/21/39/52/488213952.db2.gz ZBTLNBQJACFTQZ-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP O=C1C[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CN1 ZINC000398323923 711607902 /nfs/dbraw/zinc/60/79/02/711607902.db2.gz DMPDGCMPKMKBLR-FABMZRAQSA-N 2 0 235.331 -0.292 20 0 BBADRP O=C1C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CN1 ZINC000398323926 711607880 /nfs/dbraw/zinc/60/78/80/711607880.db2.gz DMPDGCMPKMKBLR-OPPOILRSSA-N 2 0 235.331 -0.292 20 0 BBADRP O=C1C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CN1 ZINC000398323931 711407921 /nfs/dbraw/zinc/40/79/21/711407921.db2.gz DMPDGCMPKMKBLR-TZSFNEBQSA-N 2 0 235.331 -0.292 20 0 BBADRP CNC(=O)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398336277 345221941 /nfs/dbraw/zinc/22/19/41/345221941.db2.gz KNUYTHQGGGAKGS-LLVKDONJSA-N 2 0 243.351 -0.441 20 0 BBADRP CNC(=O)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398336280 345222329 /nfs/dbraw/zinc/22/23/29/345222329.db2.gz KNUYTHQGGGAKGS-NSHDSACASA-N 2 0 243.351 -0.441 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000399145527 411019304 /nfs/dbraw/zinc/01/93/04/411019304.db2.gz DJAQEGNPTSCPNA-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000399145529 411018546 /nfs/dbraw/zinc/01/85/46/411018546.db2.gz DJAQEGNPTSCPNA-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399160698 398303800 /nfs/dbraw/zinc/30/38/00/398303800.db2.gz FCIDPHATIHABMG-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399160703 398304024 /nfs/dbraw/zinc/30/40/24/398304024.db2.gz FCIDPHATIHABMG-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C1(C)C[NH2+]C1 ZINC000399165263 386429676 /nfs/dbraw/zinc/42/96/76/386429676.db2.gz DXXXOPZZTAVXAX-UHFFFAOYSA-N 2 0 229.324 -0.710 20 0 BBADRP CC1(C(=O)NCC[NH+]2CCCC2)C[NH2+]C1 ZINC000399166130 386431752 /nfs/dbraw/zinc/43/17/52/386431752.db2.gz MMPWVPDJMYHQKD-UHFFFAOYSA-N 2 0 211.309 -0.192 20 0 BBADRP C[N@H+](CCNC(=O)C1(C)C[NH2+]C1)C1CC1 ZINC000399192558 386449003 /nfs/dbraw/zinc/44/90/03/386449003.db2.gz ZERBECXOAOPMEQ-UHFFFAOYSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399199588 357898370 /nfs/dbraw/zinc/89/83/70/357898370.db2.gz SZSSMEWAHPRIQV-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399199590 357898791 /nfs/dbraw/zinc/89/87/91/357898791.db2.gz SZSSMEWAHPRIQV-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399214486 386458806 /nfs/dbraw/zinc/45/88/06/386458806.db2.gz SQBCCTMNPKJETP-UHFFFAOYSA-N 2 0 229.324 -0.710 20 0 BBADRP C[NH2+]C[C@@H](C)CNc1cc[nH+]cc1C(N)=O ZINC000399252790 357899259 /nfs/dbraw/zinc/89/92/59/357899259.db2.gz YIXDSDUKBYNPTL-MRVPVSSYSA-N 2 0 222.292 -0.130 20 0 BBADRP C[NH2+]C[C@H](C)CNc1cc[nH+]cc1C(N)=O ZINC000399252792 357899693 /nfs/dbraw/zinc/89/96/93/357899693.db2.gz YIXDSDUKBYNPTL-QMMMGPOBSA-N 2 0 222.292 -0.130 20 0 BBADRP C[C@@H]1COCC[N@H+](CCOCC[NH3+])C1 ZINC000399273762 711781978 /nfs/dbraw/zinc/78/19/78/711781978.db2.gz RDLVLLUFWKMLDD-JTQLQIEISA-N 2 0 202.298 -0.070 20 0 BBADRP C[C@H]1COCC[N@H+](CCOCC[NH3+])C1 ZINC000399273764 711425949 /nfs/dbraw/zinc/42/59/49/711425949.db2.gz RDLVLLUFWKMLDD-SNVBAGLBSA-N 2 0 202.298 -0.070 20 0 BBADRP C[C@H]1COCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000399310131 711426762 /nfs/dbraw/zinc/42/67/62/711426762.db2.gz LTOWKWBUIVMDFS-GFCCVEGCSA-N 2 0 227.352 -0.140 20 0 BBADRP C[C@@H]1COCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000399310135 711427190 /nfs/dbraw/zinc/42/71/90/711427190.db2.gz LTOWKWBUIVMDFS-LBPRGKRZSA-N 2 0 227.352 -0.140 20 0 BBADRP CC1(C(=O)NCC[N@H+]2CC=CCC2)C[NH2+]C1 ZINC000399320841 357903133 /nfs/dbraw/zinc/90/31/33/357903133.db2.gz IJWFFPMZVFXHKQ-UHFFFAOYSA-N 2 0 223.320 -0.026 20 0 BBADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400198285 344424372 /nfs/dbraw/zinc/42/43/72/344424372.db2.gz NBCYCBHEPXTMGZ-NXEZZACHSA-N 2 0 249.380 -0.263 20 0 BBADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400198287 344424353 /nfs/dbraw/zinc/42/43/53/344424353.db2.gz NBCYCBHEPXTMGZ-UWVGGRQHSA-N 2 0 249.380 -0.263 20 0 BBADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400198288 362941756 /nfs/dbraw/zinc/94/17/56/362941756.db2.gz NBCYCBHEPXTMGZ-VHSXEESVSA-N 2 0 249.380 -0.263 20 0 BBADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400198289 344424438 /nfs/dbraw/zinc/42/44/38/344424438.db2.gz NBCYCBHEPXTMGZ-ZJUUUORDSA-N 2 0 249.380 -0.263 20 0 BBADRP CN1CCN(CC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000400659905 345383217 /nfs/dbraw/zinc/38/32/17/345383217.db2.gz YEPGIIHHWRIZKO-NEPJUHHUSA-N 2 0 227.352 -0.012 20 0 BBADRP CN1CCN(CC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000400659908 345383151 /nfs/dbraw/zinc/38/31/51/345383151.db2.gz YEPGIIHHWRIZKO-NWDGAFQWSA-N 2 0 227.352 -0.012 20 0 BBADRP CN1CCN(CC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000400659911 345383210 /nfs/dbraw/zinc/38/32/10/345383210.db2.gz YEPGIIHHWRIZKO-RYUDHWBXSA-N 2 0 227.352 -0.012 20 0 BBADRP CN1CCN(CC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000400659912 345383012 /nfs/dbraw/zinc/38/30/12/345383012.db2.gz YEPGIIHHWRIZKO-VXGBXAGGSA-N 2 0 227.352 -0.012 20 0 BBADRP OCCC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000401007859 411168362 /nfs/dbraw/zinc/16/83/62/411168362.db2.gz FJSIINYXXRCUEB-UHFFFAOYSA-N 2 0 241.379 -0.014 20 0 BBADRP O[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401016881 411172240 /nfs/dbraw/zinc/17/22/40/411172240.db2.gz AUGSSFQAIQSBRP-IYKVGLELSA-N 2 0 226.320 -0.276 20 0 BBADRP O[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401016886 411172076 /nfs/dbraw/zinc/17/20/76/411172076.db2.gz AUGSSFQAIQSBRP-LZQZFOIKSA-N 2 0 226.320 -0.276 20 0 BBADRP O[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401016894 411172105 /nfs/dbraw/zinc/17/21/05/411172105.db2.gz AUGSSFQAIQSBRP-PREPNJAASA-N 2 0 226.320 -0.276 20 0 BBADRP O[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401016902 411172396 /nfs/dbraw/zinc/17/23/96/411172396.db2.gz AUGSSFQAIQSBRP-VSSNEEPJSA-N 2 0 226.320 -0.276 20 0 BBADRP OCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401046091 411174881 /nfs/dbraw/zinc/17/48/81/411174881.db2.gz GQPCZEBKLPQRSY-GRYCIOLGSA-N 2 0 228.336 -0.027 20 0 BBADRP OCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401046094 411174072 /nfs/dbraw/zinc/17/40/72/411174072.db2.gz GQPCZEBKLPQRSY-IJLUTSLNSA-N 2 0 228.336 -0.027 20 0 BBADRP OCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401046095 411174443 /nfs/dbraw/zinc/17/44/43/411174443.db2.gz GQPCZEBKLPQRSY-QJPTWQEYSA-N 2 0 228.336 -0.027 20 0 BBADRP OCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401046098 411174943 /nfs/dbraw/zinc/17/49/43/411174943.db2.gz GQPCZEBKLPQRSY-SDDRHHMPSA-N 2 0 228.336 -0.027 20 0 BBADRP COC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401069715 488025022 /nfs/dbraw/zinc/02/50/22/488025022.db2.gz MPKUVRLCPYYHRQ-DDHJBXDOSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401069716 488025068 /nfs/dbraw/zinc/02/50/68/488025068.db2.gz MPKUVRLCPYYHRQ-IRCOFANPSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401069717 488025302 /nfs/dbraw/zinc/02/53/02/488025302.db2.gz MPKUVRLCPYYHRQ-NNYUYHANSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401069719 488025459 /nfs/dbraw/zinc/02/54/59/488025459.db2.gz MPKUVRLCPYYHRQ-WRWGMCAJSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401094118 411178396 /nfs/dbraw/zinc/17/83/96/411178396.db2.gz ZFZWTDUJMTXYEC-KKOKHZNYSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401094119 411178329 /nfs/dbraw/zinc/17/83/29/411178329.db2.gz ZFZWTDUJMTXYEC-KXNHARMFSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401094120 411178356 /nfs/dbraw/zinc/17/83/56/411178356.db2.gz ZFZWTDUJMTXYEC-QCNOEVLYSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401094121 411177867 /nfs/dbraw/zinc/17/78/67/411177867.db2.gz ZFZWTDUJMTXYEC-YFKTTZPYSA-N 2 0 228.336 -0.029 20 0 BBADRP C[N@H+](CCOCC[NH3+])CCc1cnccn1 ZINC000402596520 411270774 /nfs/dbraw/zinc/27/07/74/411270774.db2.gz ORVGESFNKXUCCC-UHFFFAOYSA-N 2 0 224.308 -0.074 20 0 BBADRP C[N@@H+](CCc1cnccn1)CCN1CC[NH2+]CC1 ZINC000402897635 324187278 /nfs/dbraw/zinc/18/72/78/324187278.db2.gz FSQXVGIEOWQYEQ-UHFFFAOYSA-N 2 0 249.362 -0.144 20 0 BBADRP COC1(CO)CC[NH+](CCC[NH3+])CC1 ZINC000402898324 488105990 /nfs/dbraw/zinc/10/59/90/488105990.db2.gz DLDAKEQRZJWLPL-UHFFFAOYSA-N 2 0 202.298 -0.192 20 0 BBADRP CN(CCc1cnccn1)C[C@H]1C[NH2+]CCO1 ZINC000402912770 488107450 /nfs/dbraw/zinc/10/74/50/488107450.db2.gz NQYWKPWRLQFHHJ-GFCCVEGCSA-N 2 0 236.319 -0.061 20 0 BBADRP CN(CCc1cnccn1)C[C@@H]1C[NH2+]CCO1 ZINC000402912774 488107399 /nfs/dbraw/zinc/10/73/99/488107399.db2.gz NQYWKPWRLQFHHJ-LBPRGKRZSA-N 2 0 236.319 -0.061 20 0 BBADRP CN(Cc1ccns1)C[C@H](O)C[NH3+] ZINC000404470969 385016245 /nfs/dbraw/zinc/01/62/45/385016245.db2.gz ZOSUSHSFKDIWOK-SSDOTTSWSA-N 2 0 201.295 -0.106 20 0 BBADRP CN(Cc1ccns1)C[C@@H](O)C[NH3+] ZINC000404470970 385016289 /nfs/dbraw/zinc/01/62/89/385016289.db2.gz ZOSUSHSFKDIWOK-ZETCQYMHSA-N 2 0 201.295 -0.106 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000404730829 385047838 /nfs/dbraw/zinc/04/78/38/385047838.db2.gz BQOJWRZWPKSPQF-HTQZYQBOSA-N 2 0 235.353 -0.749 20 0 BBADRP CC1(C)[C@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1[NH3+] ZINC000404730831 385049155 /nfs/dbraw/zinc/04/91/55/385049155.db2.gz BQOJWRZWPKSPQF-JGVFFNPUSA-N 2 0 235.353 -0.749 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000404730833 385048031 /nfs/dbraw/zinc/04/80/31/385048031.db2.gz BQOJWRZWPKSPQF-SFYZADRCSA-N 2 0 235.353 -0.749 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000404730835 385047672 /nfs/dbraw/zinc/04/76/72/385047672.db2.gz BQOJWRZWPKSPQF-YUMQZZPRSA-N 2 0 235.353 -0.749 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCn1cncn1 ZINC000404826251 385085295 /nfs/dbraw/zinc/08/52/95/385085295.db2.gz GPBFZVUEPLYZRC-BDAKNGLRSA-N 2 0 209.297 -0.007 20 0 BBADRP CC1(C)[C@H]([NH2+]CCn2cncn2)C[C@@H]1[NH3+] ZINC000404826253 385084696 /nfs/dbraw/zinc/08/46/96/385084696.db2.gz GPBFZVUEPLYZRC-DTWKUNHWSA-N 2 0 209.297 -0.007 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCn1cncn1 ZINC000404826255 385084980 /nfs/dbraw/zinc/08/49/80/385084980.db2.gz GPBFZVUEPLYZRC-IUCAKERBSA-N 2 0 209.297 -0.007 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCn1cncn1 ZINC000404826256 385084742 /nfs/dbraw/zinc/08/47/42/385084742.db2.gz GPBFZVUEPLYZRC-RKDXNWHRSA-N 2 0 209.297 -0.007 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404880336 369438293 /nfs/dbraw/zinc/43/82/93/369438293.db2.gz IWTRGXKVOKTLBT-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404880337 369438453 /nfs/dbraw/zinc/43/84/53/369438453.db2.gz IWTRGXKVOKTLBT-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404880338 369438338 /nfs/dbraw/zinc/43/83/38/369438338.db2.gz IWTRGXKVOKTLBT-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404880339 369438986 /nfs/dbraw/zinc/43/89/86/369438986.db2.gz IWTRGXKVOKTLBT-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP C[NH+](C)C[C@H]1CCCCN1C(=O)COCC[NH3+] ZINC000404895754 385142922 /nfs/dbraw/zinc/14/29/22/385142922.db2.gz TVVXSWVVSQSHAB-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)COCC[NH3+] ZINC000404895755 385142132 /nfs/dbraw/zinc/14/21/32/385142132.db2.gz TVVXSWVVSQSHAB-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP CCO[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000405164316 487942625 /nfs/dbraw/zinc/94/26/25/487942625.db2.gz HPWZTBHNBPMLFA-NXEZZACHSA-N 2 0 229.324 -0.630 20 0 BBADRP O[C@@H]1C[C@H]2CN(C[C@@H]3CCC[NH2+]C3)CC[N@@H+]2C1 ZINC000405278564 487479771 /nfs/dbraw/zinc/47/97/71/487479771.db2.gz UAEZXESPXRCYHO-FRRDWIJNSA-N 2 0 239.363 -0.263 20 0 BBADRP O[C@@H]1C[C@H]2CN(C[C@H]3CCC[NH2+]C3)CC[N@@H+]2C1 ZINC000405278566 487479755 /nfs/dbraw/zinc/47/97/55/487479755.db2.gz UAEZXESPXRCYHO-RWMBFGLXSA-N 2 0 239.363 -0.263 20 0 BBADRP O[C@@H]1C[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1 ZINC000405278634 487480049 /nfs/dbraw/zinc/48/00/49/487480049.db2.gz UDSJLBIGQUKBKQ-QWHCGFSZSA-N 2 0 239.363 -0.263 20 0 BBADRP C[NH2+]CCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405320384 487480997 /nfs/dbraw/zinc/48/09/97/487480997.db2.gz UKFYIAWZJGWQHM-WDEREUQCSA-N 2 0 213.325 -0.653 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000405321147 411425151 /nfs/dbraw/zinc/42/51/51/411425151.db2.gz RMDMOSGWPDXQRS-FRRDWIJNSA-N 2 0 239.363 -0.169 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000405438220 384335480 /nfs/dbraw/zinc/33/54/80/384335480.db2.gz OCCXVZLUUFISHH-BDAKNGLRSA-N 2 0 239.319 -0.149 20 0 BBADRP CC1(C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C[C@@H]1[NH3+] ZINC000405438223 384334400 /nfs/dbraw/zinc/33/44/00/384334400.db2.gz OCCXVZLUUFISHH-DTWKUNHWSA-N 2 0 239.319 -0.149 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000405438226 384334329 /nfs/dbraw/zinc/33/43/29/384334329.db2.gz OCCXVZLUUFISHH-IUCAKERBSA-N 2 0 239.319 -0.149 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000405438229 384336069 /nfs/dbraw/zinc/33/60/69/384336069.db2.gz OCCXVZLUUFISHH-RKDXNWHRSA-N 2 0 239.319 -0.149 20 0 BBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405477432 384369919 /nfs/dbraw/zinc/36/99/19/384369919.db2.gz MJRNCARDJWMFAQ-BDAKNGLRSA-N 2 0 249.380 -0.359 20 0 BBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405477435 384369797 /nfs/dbraw/zinc/36/97/97/384369797.db2.gz MJRNCARDJWMFAQ-DTWKUNHWSA-N 2 0 249.380 -0.359 20 0 BBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405477436 384370372 /nfs/dbraw/zinc/37/03/72/384370372.db2.gz MJRNCARDJWMFAQ-IUCAKERBSA-N 2 0 249.380 -0.359 20 0 BBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405477438 384368881 /nfs/dbraw/zinc/36/88/81/384368881.db2.gz MJRNCARDJWMFAQ-RKDXNWHRSA-N 2 0 249.380 -0.359 20 0 BBADRP CCO[C@@H]1C[N@H+](CCOCCOC)C[C@H]1C[NH3+] ZINC000405482528 411432067 /nfs/dbraw/zinc/43/20/67/411432067.db2.gz XNHDLHFHCDUNDA-VXGBXAGGSA-N 2 0 246.351 -0.055 20 0 BBADRP CCO[C@@H]1C[N@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405523251 411433260 /nfs/dbraw/zinc/43/32/60/411433260.db2.gz JUYLTPSNDPCATR-GHMZBOCLSA-N 2 0 243.351 -0.240 20 0 BBADRP CCO[C@@H]1C[N@H+](CCOC)C[C@H]1C[NH3+] ZINC000405581249 491095841 /nfs/dbraw/zinc/09/58/41/491095841.db2.gz KGHFWPIHKPMRHS-NXEZZACHSA-N 2 0 202.298 -0.072 20 0 BBADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH2+]CC1 ZINC000407217757 411474426 /nfs/dbraw/zinc/47/44/26/411474426.db2.gz KLHQAWKXURHHSZ-GHMZBOCLSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH2+]CC1 ZINC000407217758 411474984 /nfs/dbraw/zinc/47/49/84/411474984.db2.gz KLHQAWKXURHHSZ-MNOVXSKESA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH2+]CC1 ZINC000407217760 409980659 /nfs/dbraw/zinc/98/06/59/409980659.db2.gz KLHQAWKXURHHSZ-QWRGUYRKSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH2+]CC1 ZINC000407217762 411474566 /nfs/dbraw/zinc/47/45/66/411474566.db2.gz KLHQAWKXURHHSZ-WDEREUQCSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+]CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407246990 411475909 /nfs/dbraw/zinc/47/59/09/411475909.db2.gz FDGWJORVZXNXBQ-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407246991 411476360 /nfs/dbraw/zinc/47/63/60/411476360.db2.gz FDGWJORVZXNXBQ-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407246992 411475991 /nfs/dbraw/zinc/47/59/91/411475991.db2.gz FDGWJORVZXNXBQ-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407246993 411476129 /nfs/dbraw/zinc/47/61/29/411476129.db2.gz FDGWJORVZXNXBQ-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP C[NH+](C)CC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000408016791 385409714 /nfs/dbraw/zinc/40/97/14/385409714.db2.gz MZDGKUJGONJCJL-UHFFFAOYSA-N 2 0 242.323 -0.545 20 0 BBADRP C[C@H](CN1CCOCC1)[N@H+](C)CCC[NH3+] ZINC000414737214 386307178 /nfs/dbraw/zinc/30/71/78/386307178.db2.gz AFDDHUKNEGCVQV-LLVKDONJSA-N 2 0 215.341 -0.012 20 0 BBADRP C[C@@H](CN1CCOCC1)[N@H+](C)CCC[NH3+] ZINC000414737215 386308088 /nfs/dbraw/zinc/30/80/88/386308088.db2.gz AFDDHUKNEGCVQV-NSHDSACASA-N 2 0 215.341 -0.012 20 0 BBADRP COC(=O)[C@]12C[N@H+](CCC[NH3+])C[C@H]1COCC2 ZINC000414753810 644870764 /nfs/dbraw/zinc/87/07/64/644870764.db2.gz FESJYIMBODMWSE-CMPLNLGQSA-N 2 0 242.319 -0.153 20 0 BBADRP C[C@]1(C[NH2+]CCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000414775995 386479097 /nfs/dbraw/zinc/47/90/97/386479097.db2.gz DWQAARXCSJJUNV-CYBMUJFWSA-N 3 0 240.395 -0.129 20 0 BBADRP C[C@@]1(C[NH2+]CCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000414776000 386479981 /nfs/dbraw/zinc/47/99/81/386479981.db2.gz DWQAARXCSJJUNV-ZDUSSCGKSA-N 3 0 240.395 -0.129 20 0 BBADRP C(C[NH2+]C[C@@H]1CCC[NH2+]C1)CN1CC[NH2+]CC1 ZINC000414786630 200764135 /nfs/dbraw/zinc/76/41/35/200764135.db2.gz XLPVWRRNCQMNGV-CYBMUJFWSA-N 3 0 240.395 -0.129 20 0 BBADRP C(C[NH2+]C[C@H]1CCC[NH2+]C1)CN1CC[NH2+]CC1 ZINC000414786632 386526733 /nfs/dbraw/zinc/52/67/33/386526733.db2.gz XLPVWRRNCQMNGV-ZDUSSCGKSA-N 3 0 240.395 -0.129 20 0 BBADRP CC[C@H](COC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414868137 351970315 /nfs/dbraw/zinc/97/03/15/351970315.db2.gz HMILTTOSQXCFQM-LLVKDONJSA-N 2 0 215.341 -0.094 20 0 BBADRP CC[C@@H](COC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414868142 351969932 /nfs/dbraw/zinc/96/99/32/351969932.db2.gz HMILTTOSQXCFQM-NSHDSACASA-N 2 0 215.341 -0.094 20 0 BBADRP CCOC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000414873099 191608754 /nfs/dbraw/zinc/60/87/54/191608754.db2.gz XCWJPCLQWMRBHG-LLVKDONJSA-N 2 0 215.341 -0.094 20 0 BBADRP CCOC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000414873102 385873839 /nfs/dbraw/zinc/87/38/39/385873839.db2.gz XCWJPCLQWMRBHG-NSHDSACASA-N 2 0 215.341 -0.094 20 0 BBADRP CC(C)(C)[NH2+]CCNCCN1CC[NH2+]CC1 ZINC000414892251 386151099 /nfs/dbraw/zinc/15/10/99/386151099.db2.gz XQXFJJGBDIULJE-UHFFFAOYSA-N 2 0 228.384 -0.131 20 0 BBADRP CC(C)C[C@H]([NH3+])CN(CC[NH3+])CCO ZINC000414913248 191622890 /nfs/dbraw/zinc/62/28/90/191622890.db2.gz MDVSKEPDGTXQHH-JTQLQIEISA-N 2 0 203.330 -0.387 20 0 BBADRP CC(C)C[C@@H]([NH3+])CN(CC[NH3+])CCO ZINC000414913254 386483881 /nfs/dbraw/zinc/48/38/81/386483881.db2.gz MDVSKEPDGTXQHH-SNVBAGLBSA-N 2 0 203.330 -0.387 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNCC[NH2+]C(C)(C)C ZINC000414967292 385926900 /nfs/dbraw/zinc/92/69/00/385926900.db2.gz AVWZJKZQJPPALY-LLVKDONJSA-N 2 0 228.384 -0.132 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNCC[NH2+]C(C)(C)C ZINC000414967293 385928464 /nfs/dbraw/zinc/92/84/64/385928464.db2.gz AVWZJKZQJPPALY-NSHDSACASA-N 2 0 228.384 -0.132 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH+](C)C)[C@H](C)CN1CCO ZINC000416293617 386261698 /nfs/dbraw/zinc/26/16/98/386261698.db2.gz JYIDCKHBDNFNFC-GHMZBOCLSA-N 2 0 243.351 -0.539 20 0 BBADRP C[C@@H]1CN(C(=O)C[NH+](C)C)[C@@H](C)CN1CCO ZINC000416293628 386261049 /nfs/dbraw/zinc/26/10/49/386261049.db2.gz JYIDCKHBDNFNFC-MNOVXSKESA-N 2 0 243.351 -0.539 20 0 BBADRP CC[NH+](CC)CCNC(=O)NCCC[NH3+] ZINC000416785448 386380760 /nfs/dbraw/zinc/38/07/60/386380760.db2.gz BCWPFOHUQLNDQW-UHFFFAOYSA-N 2 0 216.329 -0.024 20 0 BBADRP CC[NH+](CC)CCNC(=O)NCC[NH2+]C ZINC000416787268 191758692 /nfs/dbraw/zinc/75/86/92/191758692.db2.gz FVABZRFWNUSZKB-UHFFFAOYSA-N 2 0 216.329 -0.153 20 0 BBADRP CC[NH+](CC)CCNC(=O)NCC[NH3+] ZINC000416787790 386383982 /nfs/dbraw/zinc/38/39/82/386383982.db2.gz HFBYDMJTJLOIAF-UHFFFAOYSA-N 2 0 202.302 -0.414 20 0 BBADRP CC[NH+](CC)CCNC(=O)N(C)CC[NH3+] ZINC000416788075 386383639 /nfs/dbraw/zinc/38/36/39/386383639.db2.gz HUHUFFKGCIZINZ-UHFFFAOYSA-N 2 0 216.329 -0.072 20 0 BBADRP CC[NH+](CC)CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000416788382 386383828 /nfs/dbraw/zinc/38/38/28/386383828.db2.gz INQIFLXJYKUCHL-URLYPYJESA-N 2 0 240.351 -0.155 20 0 BBADRP CC[NH+](CC)CCNC(=O)N[C@H](C)C[NH3+] ZINC000416799936 386390385 /nfs/dbraw/zinc/39/03/85/386390385.db2.gz QFJVQVXDMXFGTA-SECBINFHSA-N 2 0 216.329 -0.025 20 0 BBADRP CC[NH+](CC)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000416799939 191761552 /nfs/dbraw/zinc/76/15/52/191761552.db2.gz QFJVQVXDMXFGTA-VIFPVBQESA-N 2 0 216.329 -0.025 20 0 BBADRP CC[NH+](CC)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000416802302 386390004 /nfs/dbraw/zinc/39/00/04/386390004.db2.gz UBKNLKJSTYSFJD-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH+](CC)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000416802303 191761195 /nfs/dbraw/zinc/76/11/95/191761195.db2.gz UBKNLKJSTYSFJD-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH+](CC)CCCNC(=O)NCC[NH3+] ZINC000416807235 386397117 /nfs/dbraw/zinc/39/71/17/386397117.db2.gz FINOYIQDBMOFMH-UHFFFAOYSA-N 2 0 216.329 -0.024 20 0 BBADRP CC1CC[NH+](CCNC(=O)NCC[NH3+])CC1 ZINC000417009023 191773108 /nfs/dbraw/zinc/77/31/08/191773108.db2.gz JSOSUACALQDMIY-UHFFFAOYSA-N 2 0 228.340 -0.024 20 0 BBADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC[NH3+] ZINC000417010749 191773617 /nfs/dbraw/zinc/77/36/17/191773617.db2.gz QFAGORLFIBYBSF-SECBINFHSA-N 2 0 216.329 -0.025 20 0 BBADRP C[C@@H](CNC(=O)NCC[NH3+])C[NH+]1CCCC1 ZINC000417165137 386457473 /nfs/dbraw/zinc/45/74/73/386457473.db2.gz VQRPFKFDDYLOPQ-JTQLQIEISA-N 2 0 228.340 -0.024 20 0 BBADRP C[C@H](CNC(=O)NCC[NH3+])C[NH+]1CCCC1 ZINC000417165139 386457267 /nfs/dbraw/zinc/45/72/67/386457267.db2.gz VQRPFKFDDYLOPQ-SNVBAGLBSA-N 2 0 228.340 -0.024 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417276294 386468752 /nfs/dbraw/zinc/46/87/52/386468752.db2.gz DKBWUUJDLQEFDH-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417276295 386468999 /nfs/dbraw/zinc/46/89/99/386468999.db2.gz DKBWUUJDLQEFDH-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417276296 386468947 /nfs/dbraw/zinc/46/89/47/386468947.db2.gz DKBWUUJDLQEFDH-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417276297 386468788 /nfs/dbraw/zinc/46/87/88/386468788.db2.gz DKBWUUJDLQEFDH-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417277014 386471142 /nfs/dbraw/zinc/47/11/42/386471142.db2.gz FTXYMEZFJJAZOJ-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH2+]CCCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417277015 386471188 /nfs/dbraw/zinc/47/11/88/386471188.db2.gz FTXYMEZFJJAZOJ-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000417287115 386476165 /nfs/dbraw/zinc/47/61/65/386476165.db2.gz OAMXYZHZCDVISP-JTQLQIEISA-N 2 0 226.324 -0.305 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000417287120 386474914 /nfs/dbraw/zinc/47/49/14/386474914.db2.gz OAMXYZHZCDVISP-SNVBAGLBSA-N 2 0 226.324 -0.305 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417288442 386474746 /nfs/dbraw/zinc/47/47/46/386474746.db2.gz RGDDKMAHWOQSMN-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417288443 386475291 /nfs/dbraw/zinc/47/52/91/386475291.db2.gz RGDDKMAHWOQSMN-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[NH3+] ZINC000417299400 487923693 /nfs/dbraw/zinc/92/36/93/487923693.db2.gz MULQMOPPNKGXQZ-SECBINFHSA-N 2 0 216.329 -0.025 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC[NH3+] ZINC000417299401 487923534 /nfs/dbraw/zinc/92/35/34/487923534.db2.gz MULQMOPPNKGXQZ-VIFPVBQESA-N 2 0 216.329 -0.025 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417305411 191787161 /nfs/dbraw/zinc/78/71/61/191787161.db2.gz AUOBCOXUSJLHTG-UKKRHICBSA-N 2 0 240.351 -0.156 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417305413 191786889 /nfs/dbraw/zinc/78/68/89/191786889.db2.gz AUOBCOXUSJLHTG-ZNSHCXBVSA-N 2 0 240.351 -0.156 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NCC[N@H+](C)CCOC ZINC000417438436 387120583 /nfs/dbraw/zinc/12/05/83/387120583.db2.gz JKOWPNPOXQMPCF-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+](C)CCOC ZINC000417438437 387120682 /nfs/dbraw/zinc/12/06/82/387120682.db2.gz JKOWPNPOXQMPCF-SNVBAGLBSA-N 2 0 246.355 -0.399 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417439983 387124983 /nfs/dbraw/zinc/12/49/83/387124983.db2.gz NGPISELUTYLOAN-NXEZZACHSA-N 2 0 246.355 -0.401 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417439985 387124274 /nfs/dbraw/zinc/12/42/74/387124274.db2.gz NGPISELUTYLOAN-UWVGGRQHSA-N 2 0 246.355 -0.401 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417439987 387124412 /nfs/dbraw/zinc/12/44/12/387124412.db2.gz NGPISELUTYLOAN-VHSXEESVSA-N 2 0 246.355 -0.401 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417439988 387124438 /nfs/dbraw/zinc/12/44/38/387124438.db2.gz NGPISELUTYLOAN-ZJUUUORDSA-N 2 0 246.355 -0.401 20 0 BBADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417442496 385926777 /nfs/dbraw/zinc/92/67/77/385926777.db2.gz UVJDSCGDIZBXIN-JTQLQIEISA-N 2 0 246.355 -0.541 20 0 BBADRP COCC[N@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417442498 385927692 /nfs/dbraw/zinc/92/76/92/385927692.db2.gz UVJDSCGDIZBXIN-SNVBAGLBSA-N 2 0 246.355 -0.541 20 0 BBADRP COCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417443052 385930097 /nfs/dbraw/zinc/93/00/97/385930097.db2.gz WUXXVLGPTDCMPT-UHFFFAOYSA-N 2 0 246.355 -0.399 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH3+] ZINC000417444503 385935526 /nfs/dbraw/zinc/93/55/26/385935526.db2.gz CXCHRDMFFKKPLR-SECBINFHSA-N 2 0 216.329 -0.025 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH3+] ZINC000417444505 385935029 /nfs/dbraw/zinc/93/50/29/385935029.db2.gz CXCHRDMFFKKPLR-VIFPVBQESA-N 2 0 216.329 -0.025 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417445461 385937184 /nfs/dbraw/zinc/93/71/84/385937184.db2.gz HBQTUDGLTJQVMV-UHFFFAOYSA-N 2 0 244.339 -0.821 20 0 BBADRP CC[NH2+]CCNC(=O)NCC[N@H+](C)CCOC ZINC000417446057 385955577 /nfs/dbraw/zinc/95/55/77/385955577.db2.gz JKHJJURECPBELB-UHFFFAOYSA-N 2 0 246.355 -0.527 20 0 BBADRP COCC[N@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417448040 385962873 /nfs/dbraw/zinc/96/28/73/385962873.db2.gz SPQNJJBBRZYBFI-UHFFFAOYSA-N 2 0 246.355 -0.399 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417450008 385976798 /nfs/dbraw/zinc/97/67/98/385976798.db2.gz ZIBODMRJEXUEIV-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417450009 385976438 /nfs/dbraw/zinc/97/64/38/385976438.db2.gz ZIBODMRJEXUEIV-SNVBAGLBSA-N 2 0 246.355 -0.399 20 0 BBADRP CC[N@H+](CCNC(=O)NCC[NH3+])C(C)C ZINC000417459212 386010566 /nfs/dbraw/zinc/01/05/66/386010566.db2.gz IUBCMKBOIJRWKS-UHFFFAOYSA-N 2 0 216.329 -0.025 20 0 BBADRP CC[N@H+](CCNC(=O)NCC[NH2+]C)C1CC1 ZINC000417478352 386114509 /nfs/dbraw/zinc/11/45/09/386114509.db2.gz DHQNTIIGSUOQJY-UHFFFAOYSA-N 2 0 228.340 -0.011 20 0 BBADRP CC[N@H+](CCNC(=O)NCC[NH3+])C1CC1 ZINC000417487384 386140473 /nfs/dbraw/zinc/14/04/73/386140473.db2.gz NPBQWHSRXOUKAQ-UHFFFAOYSA-N 2 0 214.313 -0.271 20 0 BBADRP C[NH2+]CCNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000417551831 386354580 /nfs/dbraw/zinc/35/45/80/386354580.db2.gz OWSLEAFAVVVGFX-SECBINFHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417551832 386356181 /nfs/dbraw/zinc/35/61/81/386356181.db2.gz OWSLEAFAVVVGFX-VIFPVBQESA-N 2 0 228.340 -0.012 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)NCC[NH3+] ZINC000417616733 386445461 /nfs/dbraw/zinc/44/54/61/386445461.db2.gz ZFCOQALZGVEFPL-UHFFFAOYSA-N 2 0 216.329 -0.024 20 0 BBADRP C[N@H+](CCNC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000417623366 386470837 /nfs/dbraw/zinc/47/08/37/386470837.db2.gz ISJOHRAODKZENG-UHFFFAOYSA-N 2 0 226.324 -0.305 20 0 BBADRP C[NH2+]CCCNC(=O)NCC[N@H+](C)C1CC1 ZINC000417623852 386472639 /nfs/dbraw/zinc/47/26/39/386472639.db2.gz JNEHCWFKBBIDAV-UHFFFAOYSA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH2+]CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000417625809 386463289 /nfs/dbraw/zinc/46/32/89/386463289.db2.gz MWZFZUIWNHMNHJ-UHFFFAOYSA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH2+]CCN(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000417627447 487989690 /nfs/dbraw/zinc/98/96/90/487989690.db2.gz PKURSLMUYGZDFP-UHFFFAOYSA-N 2 0 228.340 -0.059 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)NCC[N@H+](C)C1CC1 ZINC000417634026 191909853 /nfs/dbraw/zinc/90/98/53/191909853.db2.gz YQGINQOESOGJBB-SECBINFHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)NCC[N@H+](C)C1CC1 ZINC000417634028 386478408 /nfs/dbraw/zinc/47/84/08/386478408.db2.gz YQGINQOESOGJBB-VIFPVBQESA-N 2 0 228.340 -0.025 20 0 BBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000417691010 386559089 /nfs/dbraw/zinc/55/90/89/386559089.db2.gz WHRNZSHVHZJHDU-JTQLQIEISA-N 2 0 238.335 -0.162 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1 ZINC000417691011 386558805 /nfs/dbraw/zinc/55/88/05/386558805.db2.gz WHRNZSHVHZJHDU-SNVBAGLBSA-N 2 0 238.335 -0.162 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417753628 488013452 /nfs/dbraw/zinc/01/34/52/488013452.db2.gz OXMVINQBQUUPKH-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417753629 488012911 /nfs/dbraw/zinc/01/29/11/488012911.db2.gz OXMVINQBQUUPKH-SNVBAGLBSA-N 2 0 246.355 -0.399 20 0 BBADRP COC[C@@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000417794716 386736736 /nfs/dbraw/zinc/73/67/36/386736736.db2.gz MCBPUEQKUONJCF-CMPLNLGQSA-N 2 0 241.335 -0.567 20 0 BBADRP COC[C@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000417794718 386735095 /nfs/dbraw/zinc/73/50/95/386735095.db2.gz MCBPUEQKUONJCF-JQWIXIFHSA-N 2 0 241.335 -0.567 20 0 BBADRP COC[C@]1(C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000417794720 386736771 /nfs/dbraw/zinc/73/67/71/386736771.db2.gz MCBPUEQKUONJCF-PWSUYJOCSA-N 2 0 241.335 -0.567 20 0 BBADRP COC[C@@]1(C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000417794722 386736723 /nfs/dbraw/zinc/73/67/23/386736723.db2.gz MCBPUEQKUONJCF-ZYHUDNBSSA-N 2 0 241.335 -0.567 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000417808530 386788099 /nfs/dbraw/zinc/78/80/99/386788099.db2.gz FPASWYFMTKNMJZ-GFCCVEGCSA-N 2 0 243.351 -0.272 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000417808531 386787599 /nfs/dbraw/zinc/78/75/99/386787599.db2.gz FPASWYFMTKNMJZ-LBPRGKRZSA-N 2 0 243.351 -0.272 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)NCC[NH3+] ZINC000417809846 386787913 /nfs/dbraw/zinc/78/79/13/386787913.db2.gz HRXRJEUYZNDRMA-UHFFFAOYSA-N 2 0 216.329 -0.024 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417819095 191930090 /nfs/dbraw/zinc/93/00/90/191930090.db2.gz XFWGNGCAZJGDMZ-GHMZBOCLSA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417819096 398293693 /nfs/dbraw/zinc/29/36/93/398293693.db2.gz XFWGNGCAZJGDMZ-MNOVXSKESA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417819097 398293667 /nfs/dbraw/zinc/29/36/67/398293667.db2.gz XFWGNGCAZJGDMZ-QWRGUYRKSA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417819098 398293770 /nfs/dbraw/zinc/29/37/70/398293770.db2.gz XFWGNGCAZJGDMZ-WDEREUQCSA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417823936 398294417 /nfs/dbraw/zinc/29/44/17/398294417.db2.gz AWWMZNWIEPSRTD-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP CC1(C)CN(C(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000417824234 386784966 /nfs/dbraw/zinc/78/49/66/386784966.db2.gz BAKYADYITSSHED-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP CC1(C)CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000417824235 386785601 /nfs/dbraw/zinc/78/56/01/386785601.db2.gz BAKYADYITSSHED-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417835309 386793416 /nfs/dbraw/zinc/79/34/16/386793416.db2.gz NRAWZVTZMDMOGE-LLVKDONJSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417835310 386792498 /nfs/dbraw/zinc/79/24/98/386792498.db2.gz NRAWZVTZMDMOGE-NSHDSACASA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H](C)[NH2+]1 ZINC000417851912 386801667 /nfs/dbraw/zinc/80/16/67/386801667.db2.gz YXLHTLVHQYKQQF-BFLSOPEQSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H](C)[NH2+]1 ZINC000417851913 386803295 /nfs/dbraw/zinc/80/32/95/386803295.db2.gz YXLHTLVHQYKQQF-GUDRVLHUSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H](C)[NH2+]1 ZINC000417851914 386802800 /nfs/dbraw/zinc/80/28/00/386802800.db2.gz YXLHTLVHQYKQQF-KLBPJQLPSA-N 2 0 223.320 -0.053 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000417877357 386832067 /nfs/dbraw/zinc/83/20/67/386832067.db2.gz PRIBLOCKTUFKEN-GXSJLCMTSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000417877358 386831632 /nfs/dbraw/zinc/83/16/32/386831632.db2.gz PRIBLOCKTUFKEN-KOLCDFICSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000417877359 386831792 /nfs/dbraw/zinc/83/17/92/386831792.db2.gz PRIBLOCKTUFKEN-MWLCHTKSSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000417877360 386832047 /nfs/dbraw/zinc/83/20/47/386832047.db2.gz PRIBLOCKTUFKEN-ONGXEEELSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000417999518 386812527 /nfs/dbraw/zinc/81/25/27/386812527.db2.gz IJKZJXYCKOPXOY-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000417999520 386813714 /nfs/dbraw/zinc/81/37/14/386813714.db2.gz IJKZJXYCKOPXOY-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000417999522 191950676 /nfs/dbraw/zinc/95/06/76/191950676.db2.gz IJKZJXYCKOPXOY-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000417999524 386813459 /nfs/dbraw/zinc/81/34/59/386813459.db2.gz IJKZJXYCKOPXOY-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP CC1=CC[N@H+](CCNC(=O)NCC[NH3+])CC1 ZINC000418027599 387037491 /nfs/dbraw/zinc/03/74/91/387037491.db2.gz PMCGWVVXMBJKFJ-UHFFFAOYSA-N 2 0 226.324 -0.104 20 0 BBADRP CC[NH+](CC)CCOCCNC(=O)NCC[NH3+] ZINC000418028654 387038379 /nfs/dbraw/zinc/03/83/79/387038379.db2.gz YIXBFTNFQBOFOZ-UHFFFAOYSA-N 2 0 246.355 -0.397 20 0 BBADRP C[NH2+]CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418063066 387080867 /nfs/dbraw/zinc/08/08/67/387080867.db2.gz RILDMWCNBOFBGF-UHFFFAOYSA-N 2 0 228.340 -0.011 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418179346 387191418 /nfs/dbraw/zinc/19/14/18/387191418.db2.gz AKUROMLRYIUVAT-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418179347 191992275 /nfs/dbraw/zinc/99/22/75/191992275.db2.gz AKUROMLRYIUVAT-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418180207 387192936 /nfs/dbraw/zinc/19/29/36/387192936.db2.gz BLXQPJDURFNJAS-VIFPVBQESA-N 2 0 216.329 -0.155 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418193193 191994670 /nfs/dbraw/zinc/99/46/70/191994670.db2.gz CXKVCHIFTQTZEP-WCBMZHEXSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418193194 387213820 /nfs/dbraw/zinc/21/38/20/387213820.db2.gz CXKVCHIFTQTZEP-WPRPVWTQSA-N 2 0 228.340 -0.027 20 0 BBADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[NH3+] ZINC000418195520 387214528 /nfs/dbraw/zinc/21/45/28/387214528.db2.gz GEZULAIJCYPEIV-VIFPVBQESA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NC(C)(C)C[NH3+] ZINC000418202676 397991943 /nfs/dbraw/zinc/99/19/43/397991943.db2.gz JEDMXCMKRHYBNK-QMMMGPOBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418203207 387217824 /nfs/dbraw/zinc/21/78/24/387217824.db2.gz KBDKLXWNBVLYLG-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418203208 191995326 /nfs/dbraw/zinc/99/53/26/191995326.db2.gz KBDKLXWNBVLYLG-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418210167 387222503 /nfs/dbraw/zinc/22/25/03/387222503.db2.gz SKPWLQCMYXKSJD-AXFHLTTASA-N 2 0 240.351 -0.060 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418211704 387222063 /nfs/dbraw/zinc/22/20/63/387222063.db2.gz UIFIMPCJANIUTH-DTWKUNHWSA-N 2 0 216.329 -0.027 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418211707 387221907 /nfs/dbraw/zinc/22/19/07/387221907.db2.gz UIFIMPCJANIUTH-IUCAKERBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)[NH3+] ZINC000418211709 387222206 /nfs/dbraw/zinc/22/22/06/387222206.db2.gz UIFQMNVYKCPRMC-QMMMGPOBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418213278 387223587 /nfs/dbraw/zinc/22/35/87/387223587.db2.gz VXBNLIYPTCMEIC-WCBMZHEXSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418213279 387223878 /nfs/dbraw/zinc/22/38/78/387223878.db2.gz VXBNLIYPTCMEIC-WPRPVWTQSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418216773 387225880 /nfs/dbraw/zinc/22/58/80/387225880.db2.gz ZULKIXRDYBAXOW-BDAKNGLRSA-N 2 0 216.329 -0.170 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418216776 387225756 /nfs/dbraw/zinc/22/57/56/387225756.db2.gz ZULKIXRDYBAXOW-IUCAKERBSA-N 2 0 216.329 -0.170 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418243437 192005044 /nfs/dbraw/zinc/00/50/44/192005044.db2.gz AFSSTDDYCWREFI-BDAKNGLRSA-N 2 0 216.329 -0.170 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418243439 192004404 /nfs/dbraw/zinc/00/44/04/192004404.db2.gz AFSSTDDYCWREFI-IUCAKERBSA-N 2 0 216.329 -0.170 20 0 BBADRP C[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)[NH+](C)C ZINC000418249529 387234545 /nfs/dbraw/zinc/23/45/45/387234545.db2.gz GGVUWXCDAUHJGI-WCBMZHEXSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)[NH+](C)C ZINC000418249532 192007524 /nfs/dbraw/zinc/00/75/24/192007524.db2.gz GGVUWXCDAUHJGI-WPRPVWTQSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000418251893 387233580 /nfs/dbraw/zinc/23/35/80/387233580.db2.gz IOJZGXMLQCVMCS-AXFHLTTASA-N 2 0 240.351 -0.060 20 0 BBADRP C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000418253490 192008668 /nfs/dbraw/zinc/00/86/68/192008668.db2.gz JTYFUXBJAVOTRT-WCBMZHEXSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000418253491 192008233 /nfs/dbraw/zinc/00/82/33/192008233.db2.gz JTYFUXBJAVOTRT-WPRPVWTQSA-N 2 0 228.340 -0.027 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418256276 192005271 /nfs/dbraw/zinc/00/52/71/192005271.db2.gz MHCVITUTLHOVLR-DTWKUNHWSA-N 2 0 216.329 -0.027 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418256278 192005244 /nfs/dbraw/zinc/00/52/44/192005244.db2.gz MHCVITUTLHOVLR-IUCAKERBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000418262254 192008892 /nfs/dbraw/zinc/00/88/92/192008892.db2.gz QJXHPHPEYBNGJK-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000418262256 192009637 /nfs/dbraw/zinc/00/96/37/192009637.db2.gz QJXHPHPEYBNGJK-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](CNC(=O)NC(C)(C)C[NH3+])[NH+](C)C ZINC000418264026 192009440 /nfs/dbraw/zinc/00/94/40/192009440.db2.gz SEVXHIYMFPOHEP-QMMMGPOBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H](CNC(=O)NCC(C)(C)[NH3+])[NH+](C)C ZINC000418266764 387237360 /nfs/dbraw/zinc/23/73/60/387237360.db2.gz VQMLSNVRTOMTPP-QMMMGPOBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418266783 387237515 /nfs/dbraw/zinc/23/75/15/387237515.db2.gz VRGWBKQUINVNMS-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418266784 387237624 /nfs/dbraw/zinc/23/76/24/387237624.db2.gz VRGWBKQUINVNMS-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000418266832 192010489 /nfs/dbraw/zinc/01/04/89/192010489.db2.gz VXMAVJDACQQDHT-VIFPVBQESA-N 2 0 216.329 -0.155 20 0 BBADRP CC(C)C[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000418292267 192017091 /nfs/dbraw/zinc/01/70/91/192017091.db2.gz CVDJNEVVUNMVOF-UHFFFAOYSA-N 2 0 228.340 -0.072 20 0 BBADRP [NH3+]CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418292362 192017132 /nfs/dbraw/zinc/01/71/32/192017132.db2.gz BVWXQBBVPYOJOJ-NWDGAFQWSA-N 2 0 248.330 0.000 20 0 BBADRP C[NH+](C)CCNC(=O)NCCC[NH2+]C1CC1 ZINC000418293624 192018686 /nfs/dbraw/zinc/01/86/86/192018686.db2.gz BQGNNSVZIJPZNG-UHFFFAOYSA-N 2 0 228.340 -0.011 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)NCC[NH3+] ZINC000418297816 192020146 /nfs/dbraw/zinc/02/01/46/192020146.db2.gz ORJGELRXWHGFNE-MRVPVSSYSA-N 2 0 202.302 -0.238 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)NCC[NH3+] ZINC000418297821 192020307 /nfs/dbraw/zinc/02/03/07/192020307.db2.gz ORJGELRXWHGFNE-QMMMGPOBSA-N 2 0 202.302 -0.238 20 0 BBADRP [NH3+]CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000418299071 387796501 /nfs/dbraw/zinc/79/65/01/387796501.db2.gz RRZYOJGMLUMDMT-UHFFFAOYSA-N 2 0 214.313 -0.094 20 0 BBADRP [NH3+]CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418299665 192020735 /nfs/dbraw/zinc/02/07/35/192020735.db2.gz UCHBDBVFERFUNI-SECBINFHSA-N 2 0 214.313 -0.238 20 0 BBADRP [NH3+]CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418299666 192020593 /nfs/dbraw/zinc/02/05/93/192020593.db2.gz UCHBDBVFERFUNI-VIFPVBQESA-N 2 0 214.313 -0.238 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[NH3+] ZINC000418299957 192020688 /nfs/dbraw/zinc/02/06/88/192020688.db2.gz UPUFPTXDRUBDDL-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[NH3+] ZINC000418299958 192020597 /nfs/dbraw/zinc/02/05/97/192020597.db2.gz UPUFPTXDRUBDDL-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP C[NH2+]CCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418301811 387803773 /nfs/dbraw/zinc/80/37/73/387803773.db2.gz AARJZRSGTKGIPK-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418301813 387804392 /nfs/dbraw/zinc/80/43/92/387804392.db2.gz AARJZRSGTKGIPK-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418301815 387804858 /nfs/dbraw/zinc/80/48/58/387804858.db2.gz AARJZRSGTKGIPK-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418301816 387804482 /nfs/dbraw/zinc/80/44/82/387804482.db2.gz AARJZRSGTKGIPK-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418302477 387803834 /nfs/dbraw/zinc/80/38/34/387803834.db2.gz BDDQXVDRYHLAKL-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418302478 387804285 /nfs/dbraw/zinc/80/42/85/387804285.db2.gz BDDQXVDRYHLAKL-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418302479 387804643 /nfs/dbraw/zinc/80/46/43/387804643.db2.gz BDDQXVDRYHLAKL-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418302480 387805095 /nfs/dbraw/zinc/80/50/95/387805095.db2.gz BDDQXVDRYHLAKL-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418302914 387804190 /nfs/dbraw/zinc/80/41/90/387804190.db2.gz CDCAKVKMLZULHZ-UHFFFAOYSA-N 2 0 228.340 -0.011 20 0 BBADRP [NH3+]CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000418306354 192021250 /nfs/dbraw/zinc/02/12/50/192021250.db2.gz AVVZRFUWTFCIOX-UHFFFAOYSA-N 2 0 237.307 -0.437 20 0 BBADRP CCC[NH2+]CCNC(=O)NCCC[NH2+]C ZINC000418306969 192021316 /nfs/dbraw/zinc/02/13/16/192021316.db2.gz KYMJJPZGNVMEFX-UHFFFAOYSA-N 2 0 216.329 -0.105 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418307480 192020803 /nfs/dbraw/zinc/02/08/03/192020803.db2.gz LOPQEVKMGHPWLR-NXEZZACHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418307481 192021431 /nfs/dbraw/zinc/02/14/31/192021431.db2.gz LOPQEVKMGHPWLR-UWVGGRQHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418307482 192021568 /nfs/dbraw/zinc/02/15/68/192021568.db2.gz LOPQEVKMGHPWLR-VHSXEESVSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418307483 192021282 /nfs/dbraw/zinc/02/12/82/192021282.db2.gz LOPQEVKMGHPWLR-ZJUUUORDSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000418313120 192022319 /nfs/dbraw/zinc/02/23/19/192022319.db2.gz BKCUYLXCJBMPDT-UHFFFAOYSA-N 2 0 216.329 -0.155 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000418313136 192021630 /nfs/dbraw/zinc/02/16/30/192021630.db2.gz BMIKUTFCXBPURG-UHFFFAOYSA-N 2 0 228.340 -0.059 20 0 BBADRP CC[NH2+]CCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000418314731 192022763 /nfs/dbraw/zinc/02/27/63/192022763.db2.gz FXGXSQYWBRKTST-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH2+]CCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000418314732 192022666 /nfs/dbraw/zinc/02/26/66/192022666.db2.gz FXGXSQYWBRKTST-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418314777 192022458 /nfs/dbraw/zinc/02/24/58/192022458.db2.gz GBKGQSJSIDQIAF-SECBINFHSA-N 2 0 216.329 -0.122 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418314779 192021703 /nfs/dbraw/zinc/02/17/03/192021703.db2.gz GBKGQSJSIDQIAF-VIFPVBQESA-N 2 0 216.329 -0.122 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000418315040 192022154 /nfs/dbraw/zinc/02/21/54/192022154.db2.gz GEDGMTHVSULFQY-WDEREUQCSA-N 2 0 240.351 -0.059 20 0 BBADRP CCC[NH2+]CCNC(=O)NCC[NH2+]CC ZINC000418315062 192021791 /nfs/dbraw/zinc/02/17/91/192021791.db2.gz GFBBQKROYBCGKP-UHFFFAOYSA-N 2 0 216.329 -0.105 20 0 BBADRP C[NH2+]CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000418315096 192022755 /nfs/dbraw/zinc/02/27/55/192022755.db2.gz GHRWJHGIUJBVLN-UHFFFAOYSA-N 2 0 228.340 -0.057 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000418315160 192023217 /nfs/dbraw/zinc/02/32/17/192023217.db2.gz GUKGMYOIOPBMPR-SECBINFHSA-N 2 0 216.329 -0.107 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418315795 583117235 /nfs/dbraw/zinc/11/72/35/583117235.db2.gz IRPAVTSBOXGWQT-SECBINFHSA-N 2 0 216.329 -0.122 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418315796 583117160 /nfs/dbraw/zinc/11/71/60/583117160.db2.gz IRPAVTSBOXGWQT-VIFPVBQESA-N 2 0 216.329 -0.122 20 0 BBADRP C[NH+](C)CC(C)(C)NC(=O)NCCC[NH3+] ZINC000418315945 487910153 /nfs/dbraw/zinc/91/01/53/487910153.db2.gz WDPMOIWHZAKUPP-UHFFFAOYSA-N 2 0 216.329 -0.025 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418316296 634249822 /nfs/dbraw/zinc/24/98/22/634249822.db2.gz JOQYKYOMNZPCOM-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418316297 411377271 /nfs/dbraw/zinc/37/72/71/411377271.db2.gz JOQYKYOMNZPCOM-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418316299 411377246 /nfs/dbraw/zinc/37/72/46/411377246.db2.gz JOQYKYOMNZPCOM-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418316300 411377267 /nfs/dbraw/zinc/37/72/67/411377267.db2.gz JOQYKYOMNZPCOM-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418316333 411377252 /nfs/dbraw/zinc/37/72/52/411377252.db2.gz JRWXQKAZSCGSOT-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418316336 411377229 /nfs/dbraw/zinc/37/72/29/411377229.db2.gz JRWXQKAZSCGSOT-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418316338 411377212 /nfs/dbraw/zinc/37/72/12/411377212.db2.gz JRWXQKAZSCGSOT-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418316340 411377250 /nfs/dbraw/zinc/37/72/50/411377250.db2.gz JRWXQKAZSCGSOT-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418317354 491066223 /nfs/dbraw/zinc/06/62/23/491066223.db2.gz MNSCKFAMZBSFQL-NXEZZACHSA-N 2 0 228.340 -0.107 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418317355 583116954 /nfs/dbraw/zinc/11/69/54/583116954.db2.gz MNSCKFAMZBSFQL-UWVGGRQHSA-N 2 0 228.340 -0.107 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418317356 583116750 /nfs/dbraw/zinc/11/67/50/583116750.db2.gz MNSCKFAMZBSFQL-VHSXEESVSA-N 2 0 228.340 -0.107 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418317357 583116694 /nfs/dbraw/zinc/11/66/94/583116694.db2.gz MNSCKFAMZBSFQL-ZJUUUORDSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000418317800 387819618 /nfs/dbraw/zinc/81/96/18/387819618.db2.gz BDAZAWQAUUSEBL-UHFFFAOYSA-N 2 0 237.307 -0.566 20 0 BBADRP CC[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418317907 387819865 /nfs/dbraw/zinc/81/98/65/387819865.db2.gz NSFWDCPYLWJLFC-SECBINFHSA-N 2 0 214.313 -0.401 20 0 BBADRP CC[NH2+]CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418317908 387819672 /nfs/dbraw/zinc/81/96/72/387819672.db2.gz NSFWDCPYLWJLFC-VIFPVBQESA-N 2 0 214.313 -0.401 20 0 BBADRP C[NH2+]CCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418318868 192023505 /nfs/dbraw/zinc/02/35/05/192023505.db2.gz CGECMHSNXZOPHS-UHFFFAOYSA-N 2 0 228.340 -0.059 20 0 BBADRP CC[NH2+]CCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000418319010 566420514 /nfs/dbraw/zinc/42/05/14/566420514.db2.gz QKYYGEGLUORNJN-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH2+]CCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000418319012 566420524 /nfs/dbraw/zinc/42/05/24/566420524.db2.gz QKYYGEGLUORNJN-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[NH2+]C ZINC000418319731 192023933 /nfs/dbraw/zinc/02/39/33/192023933.db2.gz RMGXWFNSCGTJTQ-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[NH2+]C ZINC000418319732 192024049 /nfs/dbraw/zinc/02/40/49/192024049.db2.gz RMGXWFNSCGTJTQ-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418320684 192024019 /nfs/dbraw/zinc/02/40/19/192024019.db2.gz WEGFIPBASLGKFE-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+]CCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418320685 192024290 /nfs/dbraw/zinc/02/42/90/192024290.db2.gz WEGFIPBASLGKFE-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+]CCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418320686 192024352 /nfs/dbraw/zinc/02/43/52/192024352.db2.gz WEGFIPBASLGKFE-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418320687 192023985 /nfs/dbraw/zinc/02/39/85/192023985.db2.gz WEGFIPBASLGKFE-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+]CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418321253 387821401 /nfs/dbraw/zinc/82/14/01/387821401.db2.gz YDSCBVJWCJPYJN-UHFFFAOYSA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH2+]CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000418321482 192024232 /nfs/dbraw/zinc/02/42/32/192024232.db2.gz ZEWIUCHGGTWFHI-UHFFFAOYSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000418323288 387828576 /nfs/dbraw/zinc/82/85/76/387828576.db2.gz GCVAWHYIAJPRIL-UHFFFAOYSA-N 2 0 240.351 -0.057 20 0 BBADRP CC[NH2+]CCNC(=O)N1CCN(C)CC1 ZINC000418324624 387831048 /nfs/dbraw/zinc/83/10/48/387831048.db2.gz KEXHGKROXWUQMF-UHFFFAOYSA-N 2 0 214.313 -0.447 20 0 BBADRP C[NH2+]CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418325607 387828896 /nfs/dbraw/zinc/82/88/96/387828896.db2.gz JGEXHEMGJDOENO-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP C[NH2+]CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418325610 387828926 /nfs/dbraw/zinc/82/89/26/387828926.db2.gz JGEXHEMGJDOENO-SNVBAGLBSA-N 2 0 228.340 -0.059 20 0 BBADRP CC[NH2+]CCNC(=O)NCC[N@H+](CC)CCO ZINC000418331584 192025524 /nfs/dbraw/zinc/02/55/24/192025524.db2.gz XQYDRUOUERKMKR-UHFFFAOYSA-N 2 0 246.355 -0.791 20 0 BBADRP CC[N@@H+]1CCCN(C(=O)NCC[NH2+]C)CC1 ZINC000418333046 192025482 /nfs/dbraw/zinc/02/54/82/192025482.db2.gz RJLLESOXDHSNOW-UHFFFAOYSA-N 2 0 228.340 -0.057 20 0 BBADRP C[NH2+]CCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000418338753 192026278 /nfs/dbraw/zinc/02/62/78/192026278.db2.gz ZZEUTRKKZVCWBU-UHFFFAOYSA-N 2 0 226.324 -0.233 20 0 BBADRP [NH3+]CCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000418355057 206012169 /nfs/dbraw/zinc/01/21/69/206012169.db2.gz OVLDZXADMAMIMX-UHFFFAOYSA-N 2 0 226.324 -0.104 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418361183 387122740 /nfs/dbraw/zinc/12/27/40/387122740.db2.gz AKXZWUMYUDFUKZ-NXEZZACHSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418361184 387121093 /nfs/dbraw/zinc/12/10/93/387121093.db2.gz AKXZWUMYUDFUKZ-UWVGGRQHSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418361185 387122529 /nfs/dbraw/zinc/12/25/29/387122529.db2.gz AKXZWUMYUDFUKZ-VHSXEESVSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418361186 387121878 /nfs/dbraw/zinc/12/18/78/387121878.db2.gz AKXZWUMYUDFUKZ-ZJUUUORDSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418362620 192028054 /nfs/dbraw/zinc/02/80/54/192028054.db2.gz HVUOUIZVKHJJOH-NXEZZACHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418362621 192028295 /nfs/dbraw/zinc/02/82/95/192028295.db2.gz HVUOUIZVKHJJOH-UWVGGRQHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418362623 192028099 /nfs/dbraw/zinc/02/80/99/192028099.db2.gz HVUOUIZVKHJJOH-VHSXEESVSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418362624 192027992 /nfs/dbraw/zinc/02/79/92/192027992.db2.gz HVUOUIZVKHJJOH-ZJUUUORDSA-N 2 0 228.340 -0.107 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CCCC[NH2+]C1 ZINC000418364911 192028373 /nfs/dbraw/zinc/02/83/73/192028373.db2.gz HKUZQZYYSYWNQA-UKKRHICBSA-N 2 0 238.335 -0.355 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CCCC[NH2+]C1 ZINC000418364914 192028433 /nfs/dbraw/zinc/02/84/33/192028433.db2.gz HKUZQZYYSYWNQA-ZNSHCXBVSA-N 2 0 238.335 -0.355 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418365090 192027995 /nfs/dbraw/zinc/02/79/95/192027995.db2.gz DLUMNZQUBMUCKW-NXEZZACHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418365092 192028512 /nfs/dbraw/zinc/02/85/12/192028512.db2.gz DLUMNZQUBMUCKW-UWVGGRQHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418365093 192028479 /nfs/dbraw/zinc/02/84/79/192028479.db2.gz DLUMNZQUBMUCKW-VHSXEESVSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418365094 192028265 /nfs/dbraw/zinc/02/82/65/192028265.db2.gz DLUMNZQUBMUCKW-ZJUUUORDSA-N 2 0 228.340 -0.107 20 0 BBADRP [NH3+]C1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCC1 ZINC000418367886 192029064 /nfs/dbraw/zinc/02/90/64/192029064.db2.gz LVJHYDXUHAGFMJ-SECBINFHSA-N 2 0 226.324 -0.081 20 0 BBADRP [NH3+]C1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCC1 ZINC000418367888 192028722 /nfs/dbraw/zinc/02/87/22/192028722.db2.gz LVJHYDXUHAGFMJ-VIFPVBQESA-N 2 0 226.324 -0.081 20 0 BBADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000418376334 206014622 /nfs/dbraw/zinc/01/46/22/206014622.db2.gz IJRDSQCYDLJZTN-GMTAPVOTSA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000418376337 206014557 /nfs/dbraw/zinc/01/45/57/206014557.db2.gz IJRDSQCYDLJZTN-MXWKQRLJSA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000418376338 206014633 /nfs/dbraw/zinc/01/46/33/206014633.db2.gz IJRDSQCYDLJZTN-OUAUKWLOSA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000418376340 206015011 /nfs/dbraw/zinc/01/50/11/206015011.db2.gz IJRDSQCYDLJZTN-VWYCJHECSA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000418376895 387287382 /nfs/dbraw/zinc/28/73/82/387287382.db2.gz IUDXDIGEQIZLRK-JFGNBEQYSA-N 2 0 240.351 -0.025 20 0 BBADRP NCC(F)(F)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418379782 206016303 /nfs/dbraw/zinc/01/63/03/206016303.db2.gz WIHAJWFMOBKBPT-SSDOTTSWSA-N 2 0 236.266 -0.368 20 0 BBADRP NCC(F)(F)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418379792 206015554 /nfs/dbraw/zinc/01/55/54/206015554.db2.gz WIHAJWFMOBKBPT-ZETCQYMHSA-N 2 0 236.266 -0.368 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000418380051 192030497 /nfs/dbraw/zinc/03/04/97/192030497.db2.gz LATAPNPPJRJHEH-AEJSXWLSSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H]1C ZINC000418380055 192030757 /nfs/dbraw/zinc/03/07/57/192030757.db2.gz LATAPNPPJRJHEH-GUBZILKMSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418380057 192030736 /nfs/dbraw/zinc/03/07/36/192030736.db2.gz LATAPNPPJRJHEH-IVZWLZJFSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000418380060 192030371 /nfs/dbraw/zinc/03/03/71/192030371.db2.gz LATAPNPPJRJHEH-LPEHRKFASA-N 2 0 226.324 -0.260 20 0 BBADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418382736 192030417 /nfs/dbraw/zinc/03/04/17/192030417.db2.gz YXZDHPVDIHOPBC-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418382738 192030682 /nfs/dbraw/zinc/03/06/82/192030682.db2.gz YXZDHPVDIHOPBC-SNVBAGLBSA-N 2 0 228.340 -0.059 20 0 BBADRP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[NH2+]C1 ZINC000418382793 192030436 /nfs/dbraw/zinc/03/04/36/192030436.db2.gz MYOIWALMSOVQOT-LLVKDONJSA-N 2 0 249.318 -0.424 20 0 BBADRP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[NH2+]C1 ZINC000418382794 192030337 /nfs/dbraw/zinc/03/03/37/192030337.db2.gz MYOIWALMSOVQOT-NSHDSACASA-N 2 0 249.318 -0.424 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000418385282 192031342 /nfs/dbraw/zinc/03/13/42/192031342.db2.gz PDMXFGPBXKLQSY-BBBLOLIVSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000418385283 192031624 /nfs/dbraw/zinc/03/16/24/192031624.db2.gz PDMXFGPBXKLQSY-KXUCPTDWSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000418385285 192031532 /nfs/dbraw/zinc/03/15/32/192031532.db2.gz PDMXFGPBXKLQSY-OPRDCNLKSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000418385286 192031578 /nfs/dbraw/zinc/03/15/78/192031578.db2.gz PDMXFGPBXKLQSY-UTLUCORTSA-N 2 0 226.324 -0.260 20 0 BBADRP CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418385571 192031462 /nfs/dbraw/zinc/03/14/62/192031462.db2.gz QFZYSLNICPRRIE-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418385572 192031605 /nfs/dbraw/zinc/03/16/05/192031605.db2.gz QFZYSLNICPRRIE-SNVBAGLBSA-N 2 0 228.340 -0.059 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH2+]C[C@H]1C ZINC000418386835 192031851 /nfs/dbraw/zinc/03/18/51/192031851.db2.gz LYWRNQNTJODXPX-NXEZZACHSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+]C[C@@H]1C ZINC000418386837 192031760 /nfs/dbraw/zinc/03/17/60/192031760.db2.gz LYWRNQNTJODXPX-UWVGGRQHSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+]C[C@H]1C ZINC000418386839 192031737 /nfs/dbraw/zinc/03/17/37/192031737.db2.gz LYWRNQNTJODXPX-VHSXEESVSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH2+]C[C@@H]1C ZINC000418386841 192031908 /nfs/dbraw/zinc/03/19/08/192031908.db2.gz LYWRNQNTJODXPX-ZJUUUORDSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418391976 192032606 /nfs/dbraw/zinc/03/26/06/192032606.db2.gz VZCXZTKDKDOYCB-SECBINFHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418391977 192032371 /nfs/dbraw/zinc/03/23/71/192032371.db2.gz VZCXZTKDKDOYCB-VIFPVBQESA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)NCC[NH+](C)C ZINC000418392894 192032189 /nfs/dbraw/zinc/03/21/89/192032189.db2.gz QEVXKLQVCUOCFW-SECBINFHSA-N 2 0 216.329 -0.297 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)NCC[NH+](C)C ZINC000418392896 192032337 /nfs/dbraw/zinc/03/23/37/192032337.db2.gz QEVXKLQVCUOCFW-VIFPVBQESA-N 2 0 216.329 -0.297 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)NCC[NH+](C)C ZINC000418393480 192032589 /nfs/dbraw/zinc/03/25/89/192032589.db2.gz XZFUVFVPXKMETP-SECBINFHSA-N 2 0 216.329 -0.170 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC[NH+](C)C ZINC000418393481 192032250 /nfs/dbraw/zinc/03/22/50/192032250.db2.gz XZFUVFVPXKMETP-VIFPVBQESA-N 2 0 216.329 -0.170 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418396690 192032941 /nfs/dbraw/zinc/03/29/41/192032941.db2.gz CVNNIXXYSVUVJL-QCLAVDOMSA-N 2 0 226.324 -0.513 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418396693 192033137 /nfs/dbraw/zinc/03/31/37/192033137.db2.gz CVNNIXXYSVUVJL-RGOKHQFPSA-N 2 0 226.324 -0.513 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H](C)C[NH2+]C ZINC000418396999 192032806 /nfs/dbraw/zinc/03/28/06/192032806.db2.gz UNAKWPNZYFZYGI-AOOOYVTPSA-N 2 0 230.356 -0.003 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](C)C[NH2+]C ZINC000418397005 192032928 /nfs/dbraw/zinc/03/29/28/192032928.db2.gz UNAKWPNZYFZYGI-NXEZZACHSA-N 2 0 230.356 -0.003 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418397007 192032822 /nfs/dbraw/zinc/03/28/22/192032822.db2.gz UNAKWPNZYFZYGI-UWVGGRQHSA-N 2 0 230.356 -0.003 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)N(C)C1CC([NH3+])C1 ZINC000418400571 323391565 /nfs/dbraw/zinc/39/15/65/323391565.db2.gz YBLJLJKOLCGNSU-IDKOKCKLSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)N(C)C1CC([NH3+])C1 ZINC000418400593 323391778 /nfs/dbraw/zinc/39/17/78/323391778.db2.gz YBLJLJKOLCGNSU-XNWIYYODSA-N 2 0 228.340 -0.027 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418400988 387439720 /nfs/dbraw/zinc/43/97/20/387439720.db2.gz GDXOSXFZOUDIPC-FBDQPXRJSA-N 2 0 238.335 -0.369 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418401010 387439591 /nfs/dbraw/zinc/43/95/91/387439591.db2.gz GDXOSXFZOUDIPC-QUARPLMYSA-N 2 0 238.335 -0.369 20 0 BBADRP COCC[NH2+]CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418403333 192033574 /nfs/dbraw/zinc/03/35/74/192033574.db2.gz JIUZMSCUHVCVQL-JTQLQIEISA-N 2 0 246.355 -0.495 20 0 BBADRP COCC[NH2+]CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418403334 192033623 /nfs/dbraw/zinc/03/36/23/192033623.db2.gz JIUZMSCUHVCVQL-SNVBAGLBSA-N 2 0 246.355 -0.495 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](C)C[NH3+] ZINC000418405275 192033309 /nfs/dbraw/zinc/03/33/09/192033309.db2.gz KWLZPCVGZFUIRK-BDAKNGLRSA-N 2 0 216.329 -0.136 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H](C)C[NH3+] ZINC000418405283 192033587 /nfs/dbraw/zinc/03/35/87/192033587.db2.gz KWLZPCVGZFUIRK-DTWKUNHWSA-N 2 0 216.329 -0.136 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](C)C[NH3+] ZINC000418405287 192033777 /nfs/dbraw/zinc/03/37/77/192033777.db2.gz KWLZPCVGZFUIRK-IUCAKERBSA-N 2 0 216.329 -0.136 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](C)C[NH3+] ZINC000418405294 192033938 /nfs/dbraw/zinc/03/39/38/192033938.db2.gz KWLZPCVGZFUIRK-RKDXNWHRSA-N 2 0 216.329 -0.136 20 0 BBADRP CC(C)([NH3+])CNC(=O)NCC(F)(F)CN ZINC000418414472 192034782 /nfs/dbraw/zinc/03/47/82/192034782.db2.gz LQDIWUDQJUKKDN-UHFFFAOYSA-N 2 0 224.255 -0.383 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH2+]CC1 ZINC000418442094 192036808 /nfs/dbraw/zinc/03/68/08/192036808.db2.gz MKFFUYYRUREOGL-JTQLQIEISA-N 2 0 228.340 -0.025 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH2+]CC1 ZINC000418442095 192036262 /nfs/dbraw/zinc/03/62/62/192036262.db2.gz MKFFUYYRUREOGL-SNVBAGLBSA-N 2 0 228.340 -0.025 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418446756 192036732 /nfs/dbraw/zinc/03/67/32/192036732.db2.gz PTSBWMGPAVCKMC-UKKRHICBSA-N 2 0 240.351 -0.123 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418446758 192036336 /nfs/dbraw/zinc/03/63/36/192036336.db2.gz PTSBWMGPAVCKMC-ZNSHCXBVSA-N 2 0 240.351 -0.123 20 0 BBADRP CCC[NH2+]CCNC(=O)NCC[NH+](C)C ZINC000418468241 192038714 /nfs/dbraw/zinc/03/87/14/192038714.db2.gz HAQPWGOHDOWMBF-UHFFFAOYSA-N 2 0 216.329 -0.153 20 0 BBADRP CCC[NH2+]CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418477103 192039768 /nfs/dbraw/zinc/03/97/68/192039768.db2.gz BLGIYVVFPWPKMG-PHIMTYICSA-N 2 0 240.351 -0.153 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418480035 192040421 /nfs/dbraw/zinc/04/04/21/192040421.db2.gz BZZXGCSSJBAHLU-BBBLOLIVSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418480036 192040116 /nfs/dbraw/zinc/04/01/16/192040116.db2.gz BZZXGCSSJBAHLU-KXUCPTDWSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418480037 192040128 /nfs/dbraw/zinc/04/01/28/192040128.db2.gz BZZXGCSSJBAHLU-OPRDCNLKSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418480039 192040504 /nfs/dbraw/zinc/04/05/04/192040504.db2.gz BZZXGCSSJBAHLU-UTLUCORTSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418481362 192040579 /nfs/dbraw/zinc/04/05/79/192040579.db2.gz DETPPJWMOPHEHW-BBBLOLIVSA-N 2 0 228.340 -0.122 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418481363 192040377 /nfs/dbraw/zinc/04/03/77/192040377.db2.gz DETPPJWMOPHEHW-KXUCPTDWSA-N 2 0 228.340 -0.122 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418481364 192040644 /nfs/dbraw/zinc/04/06/44/192040644.db2.gz DETPPJWMOPHEHW-OPRDCNLKSA-N 2 0 228.340 -0.122 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418481365 192040185 /nfs/dbraw/zinc/04/01/85/192040185.db2.gz DETPPJWMOPHEHW-UTLUCORTSA-N 2 0 228.340 -0.122 20 0 BBADRP CCC[NH2+]CCNC(=O)NC[C@H](C)C[NH3+] ZINC000418487992 192041063 /nfs/dbraw/zinc/04/10/63/192041063.db2.gz KAYQZVAHDZQRGB-SECBINFHSA-N 2 0 216.329 -0.120 20 0 BBADRP CCC[NH2+]CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000418487993 192041290 /nfs/dbraw/zinc/04/12/90/192041290.db2.gz KAYQZVAHDZQRGB-VIFPVBQESA-N 2 0 216.329 -0.120 20 0 BBADRP CCC[NH2+]CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418490472 192041824 /nfs/dbraw/zinc/04/18/24/192041824.db2.gz PUSIHBGJRGQRDE-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CCC[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418490476 192041928 /nfs/dbraw/zinc/04/19/28/192041928.db2.gz PUSIHBGJRGQRDE-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418491425 192041698 /nfs/dbraw/zinc/04/16/98/192041698.db2.gz OFMYHSCDEUPDED-BBBLOLIVSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418491427 192041934 /nfs/dbraw/zinc/04/19/34/192041934.db2.gz OFMYHSCDEUPDED-KXUCPTDWSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418491428 192041589 /nfs/dbraw/zinc/04/15/89/192041589.db2.gz OFMYHSCDEUPDED-OPRDCNLKSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418491429 192041460 /nfs/dbraw/zinc/04/14/60/192041460.db2.gz OFMYHSCDEUPDED-UTLUCORTSA-N 2 0 228.340 -0.027 20 0 BBADRP CCC[NH2+]CCNC(=O)N1CC[NH2+]CC1 ZINC000418492644 192041828 /nfs/dbraw/zinc/04/18/28/192041828.db2.gz VTRGPZYSWJKCCA-UHFFFAOYSA-N 2 0 214.313 -0.399 20 0 BBADRP CCC[NH2+]CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418492874 192041791 /nfs/dbraw/zinc/04/17/91/192041791.db2.gz WRUKZZHECHBDDU-MYJAWHEDSA-N 2 0 226.324 -0.497 20 0 BBADRP CCC[NH2+]CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418493530 192042533 /nfs/dbraw/zinc/04/25/33/192042533.db2.gz YMZTVDVXGJBXFQ-MNOVXSKESA-N 2 0 240.351 -0.011 20 0 BBADRP CCC[NH2+]CCNC(=O)N1CCC[NH2+]CC1 ZINC000418494186 192042129 /nfs/dbraw/zinc/04/21/29/192042129.db2.gz ZUXGVVSSGZENCZ-UHFFFAOYSA-N 2 0 228.340 -0.009 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H](C)C[NH3+] ZINC000418494484 192042204 /nfs/dbraw/zinc/04/22/04/192042204.db2.gz SGMODNBUOROESE-DTWKUNHWSA-N 2 0 216.329 -0.122 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H](C)C[NH3+] ZINC000418494485 192042609 /nfs/dbraw/zinc/04/26/09/192042609.db2.gz SGMODNBUOROESE-RKDXNWHRSA-N 2 0 216.329 -0.122 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NCCNc1cc[nH+]cc1 ZINC000418507848 192044452 /nfs/dbraw/zinc/04/44/52/192044452.db2.gz CGJIKRGTWQACQO-SECBINFHSA-N 2 0 237.307 -0.438 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NC(C)(C)C[NH+](C)C ZINC000418509778 192045739 /nfs/dbraw/zinc/04/57/39/192045739.db2.gz GXHUXAOEXWEHGX-MRVPVSSYSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418513411 192045413 /nfs/dbraw/zinc/04/54/13/192045413.db2.gz MYRQELHQKRJUGL-HLTSFMKQSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418513418 192045436 /nfs/dbraw/zinc/04/54/36/192045436.db2.gz MYRQELHQKRJUGL-HRDYMLBCSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418513419 192045676 /nfs/dbraw/zinc/04/56/76/192045676.db2.gz MYRQELHQKRJUGL-IWSPIJDZSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418513420 192045233 /nfs/dbraw/zinc/04/52/33/192045233.db2.gz MYRQELHQKRJUGL-VGMNWLOBSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H](NC(=O)NCC(F)(F)CN)[C@H](C)[NH3+] ZINC000418518245 192046406 /nfs/dbraw/zinc/04/64/06/192046406.db2.gz XAKMYSVENLVTRB-NTSWFWBYSA-N 2 0 224.255 -0.385 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC(F)(F)CN ZINC000418518253 192046304 /nfs/dbraw/zinc/04/63/04/192046304.db2.gz XAKMYSVENLVTRB-PHDIDXHHSA-N 2 0 224.255 -0.385 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC(F)(F)CN ZINC000418518255 192046075 /nfs/dbraw/zinc/04/60/75/192046075.db2.gz XAKMYSVENLVTRB-RITPCOANSA-N 2 0 224.255 -0.385 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCC(F)(F)CN ZINC000418518256 192046140 /nfs/dbraw/zinc/04/61/40/192046140.db2.gz XAKMYSVENLVTRB-WDSKDSINSA-N 2 0 224.255 -0.385 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NCC[N@H+]1CC=CCC1 ZINC000418524712 192047969 /nfs/dbraw/zinc/04/79/69/192047969.db2.gz NNXLQLLVQIDAOO-SNVBAGLBSA-N 2 0 226.324 -0.105 20 0 BBADRP NCC(F)(F)CNC(=O)NCC1([NH3+])CCC1 ZINC000418530803 192048405 /nfs/dbraw/zinc/04/84/05/192048405.db2.gz VSCJWHZEAALAJV-UHFFFAOYSA-N 2 0 236.266 -0.239 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)NCC(F)(F)CN ZINC000418531028 192048198 /nfs/dbraw/zinc/04/81/98/192048198.db2.gz RHIIZOUAGLDOGE-LURJTMIESA-N 2 0 224.255 -0.383 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NCC(F)(F)CN ZINC000418531033 192048181 /nfs/dbraw/zinc/04/81/81/192048181.db2.gz RHIIZOUAGLDOGE-ZCFIWIBFSA-N 2 0 224.255 -0.383 20 0 BBADRP C[C@@]1(CNC(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000418545170 192043653 /nfs/dbraw/zinc/04/36/53/192043653.db2.gz QCZVWYNQLZTXHC-GFCCVEGCSA-N 2 0 240.351 -0.009 20 0 BBADRP C[C@]1(CNC(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000418545171 192043612 /nfs/dbraw/zinc/04/36/12/192043612.db2.gz QCZVWYNQLZTXHC-LBPRGKRZSA-N 2 0 240.351 -0.009 20 0 BBADRP C[NH+](C)CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418545338 192043516 /nfs/dbraw/zinc/04/35/16/192043516.db2.gz FIEMNVYLUGEKSO-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000418555702 192050103 /nfs/dbraw/zinc/05/01/03/192050103.db2.gz DUBOKHGFTBSFRI-AXFHLTTASA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418555705 192050228 /nfs/dbraw/zinc/05/02/28/192050228.db2.gz DUBOKHGFTBSFRI-GMTAPVOTSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000418555708 192050575 /nfs/dbraw/zinc/05/05/75/192050575.db2.gz DUBOKHGFTBSFRI-HBNTYKKESA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418555712 192050306 /nfs/dbraw/zinc/05/03/06/192050306.db2.gz DUBOKHGFTBSFRI-MXWKQRLJSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NCCNc1cc[nH+]cc1 ZINC000418558978 192050132 /nfs/dbraw/zinc/05/01/32/192050132.db2.gz CGJIKRGTWQACQO-VIFPVBQESA-N 2 0 237.307 -0.438 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NC(C)(C)C[NH+](C)C ZINC000418562877 192050885 /nfs/dbraw/zinc/05/08/85/192050885.db2.gz GXHUXAOEXWEHGX-QMMMGPOBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418566418 192051556 /nfs/dbraw/zinc/05/15/56/192051556.db2.gz MYRQELHQKRJUGL-CIUDSAMLSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418566419 192051669 /nfs/dbraw/zinc/05/16/69/192051669.db2.gz MYRQELHQKRJUGL-DJLDLDEBSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418566420 192051416 /nfs/dbraw/zinc/05/14/16/192051416.db2.gz MYRQELHQKRJUGL-XHNCKOQMSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418566421 192051431 /nfs/dbraw/zinc/05/14/31/192051431.db2.gz MYRQELHQKRJUGL-YIZRAAEISA-N 2 0 214.313 -0.275 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000418568356 192051482 /nfs/dbraw/zinc/05/14/82/192051482.db2.gz BLXRGLIWTKPNCD-NXEZZACHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+][C@H]1CCC[C@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000418568357 192051350 /nfs/dbraw/zinc/05/13/50/192051350.db2.gz BLXRGLIWTKPNCD-UWVGGRQHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000418568358 192051715 /nfs/dbraw/zinc/05/17/15/192051715.db2.gz BLXRGLIWTKPNCD-VHSXEESVSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000418568359 192051844 /nfs/dbraw/zinc/05/18/44/192051844.db2.gz BLXRGLIWTKPNCD-ZJUUUORDSA-N 2 0 226.324 -0.129 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418568991 192051382 /nfs/dbraw/zinc/05/13/82/192051382.db2.gz HONZLYUQXFDIKQ-NXEZZACHSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418569002 192051380 /nfs/dbraw/zinc/05/13/80/192051380.db2.gz HONZLYUQXFDIKQ-UWVGGRQHSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418569003 192051693 /nfs/dbraw/zinc/05/16/93/192051693.db2.gz HONZLYUQXFDIKQ-VHSXEESVSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418569004 192051698 /nfs/dbraw/zinc/05/16/98/192051698.db2.gz HONZLYUQXFDIKQ-ZJUUUORDSA-N 2 0 228.340 -0.155 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418571299 192052274 /nfs/dbraw/zinc/05/22/74/192052274.db2.gz RKYWAZQMABLHBR-QMMMGPOBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418575065 192052289 /nfs/dbraw/zinc/05/22/89/192052289.db2.gz WEINRWBMBSSDHE-CIUDSAMLSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418575067 192052342 /nfs/dbraw/zinc/05/23/42/192052342.db2.gz WEINRWBMBSSDHE-DJLDLDEBSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418575068 192052478 /nfs/dbraw/zinc/05/24/78/192052478.db2.gz WEINRWBMBSSDHE-XHNCKOQMSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418575070 192052330 /nfs/dbraw/zinc/05/23/30/192052330.db2.gz WEINRWBMBSSDHE-YIZRAAEISA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH+](C)C ZINC000418575207 192052466 /nfs/dbraw/zinc/05/24/66/192052466.db2.gz MYGLXIONMDIXBK-NXEZZACHSA-N 2 0 228.340 -0.155 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH+](C)C ZINC000418575209 192052075 /nfs/dbraw/zinc/05/20/75/192052075.db2.gz MYGLXIONMDIXBK-UWVGGRQHSA-N 2 0 228.340 -0.155 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH+](C)C ZINC000418575211 192052206 /nfs/dbraw/zinc/05/22/06/192052206.db2.gz MYGLXIONMDIXBK-VHSXEESVSA-N 2 0 228.340 -0.155 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH+](C)C ZINC000418575212 192052549 /nfs/dbraw/zinc/05/25/49/192052549.db2.gz MYGLXIONMDIXBK-ZJUUUORDSA-N 2 0 228.340 -0.155 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)NCC[NH+](C)C ZINC000418595872 192055291 /nfs/dbraw/zinc/05/52/91/192055291.db2.gz XJPUQXZAIXIJKQ-SECBINFHSA-N 2 0 216.329 -0.155 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418604604 192054461 /nfs/dbraw/zinc/05/44/61/192054461.db2.gz ROQGALQIXXTBSA-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418604605 192054913 /nfs/dbraw/zinc/05/49/13/192054913.db2.gz ROQGALQIXXTBSA-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CC=CCC1 ZINC000418618649 192057087 /nfs/dbraw/zinc/05/70/87/192057087.db2.gz NNXLQLLVQIDAOO-JTQLQIEISA-N 2 0 226.324 -0.105 20 0 BBADRP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000418677246 192060088 /nfs/dbraw/zinc/06/00/88/192060088.db2.gz UMSYUKGRZGRMBC-UKKRHICBSA-N 2 0 238.335 -0.450 20 0 BBADRP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000418677248 192059913 /nfs/dbraw/zinc/05/99/13/192059913.db2.gz UMSYUKGRZGRMBC-ZNSHCXBVSA-N 2 0 238.335 -0.450 20 0 BBADRP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418683574 192060475 /nfs/dbraw/zinc/06/04/75/192060475.db2.gz BMPVWCVXLAKXOX-MYJAWHEDSA-N 2 0 240.351 -0.156 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NCC[N@H+](CC)CCO ZINC000418727624 192065321 /nfs/dbraw/zinc/06/53/21/192065321.db2.gz MNHYUTPKAPYKBS-JTQLQIEISA-N 2 0 246.355 -0.663 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+](CC)CCO ZINC000418727625 192065649 /nfs/dbraw/zinc/06/56/49/192065649.db2.gz MNHYUTPKAPYKBS-SNVBAGLBSA-N 2 0 246.355 -0.663 20 0 BBADRP CCCN(CCN1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000420293991 192203920 /nfs/dbraw/zinc/20/39/20/192203920.db2.gz NXQPGUHNPYVNLM-CYBMUJFWSA-N 2 0 240.395 -0.035 20 0 BBADRP CCCN(CCN1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000420293992 192203158 /nfs/dbraw/zinc/20/31/58/192203158.db2.gz NXQPGUHNPYVNLM-ZDUSSCGKSA-N 2 0 240.395 -0.035 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000420295412 192203269 /nfs/dbraw/zinc/20/32/69/192203269.db2.gz VMSZMDGIIQMBOG-UHFFFAOYSA-N 3 0 228.384 -0.192 20 0 BBADRP CCCC[N@H+](CCO)CCN1CC[NH2+]CC1 ZINC000420300505 192207285 /nfs/dbraw/zinc/20/72/85/192207285.db2.gz HUSSHWFXPPOSNN-UHFFFAOYSA-N 2 0 229.368 -0.014 20 0 BBADRP CC[NH+](CC)CCCN(CC[NH3+])CCO ZINC000420304010 192208958 /nfs/dbraw/zinc/20/89/58/192208958.db2.gz IHCAIZSQEVSUCY-UHFFFAOYSA-N 2 0 217.357 -0.029 20 0 BBADRP CC[N@H+](CCCO)CCN1CC[NH2+]CC1 ZINC000420304901 192209063 /nfs/dbraw/zinc/20/90/63/192209063.db2.gz OXAZPJKMWJODCH-UHFFFAOYSA-N 2 0 215.341 -0.404 20 0 BBADRP CN(CCN1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000420306808 192208626 /nfs/dbraw/zinc/20/86/26/192208626.db2.gz BMDSEBXPHMHQMQ-GFCCVEGCSA-N 2 0 226.368 -0.439 20 0 BBADRP CN(CCN1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000420306810 192209021 /nfs/dbraw/zinc/20/90/21/192209021.db2.gz BMDSEBXPHMHQMQ-LBPRGKRZSA-N 2 0 226.368 -0.439 20 0 BBADRP CC(C)OC(=O)CCN(CC[NH3+])CCO ZINC000420308239 192210955 /nfs/dbraw/zinc/21/09/55/192210955.db2.gz NGVXMOCMKYIVQZ-UHFFFAOYSA-N 2 0 218.297 -0.419 20 0 BBADRP C(CN1CC[NH2+]CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420309157 192210247 /nfs/dbraw/zinc/21/02/47/192210247.db2.gz DMTDHEHOJLGZSL-CYBMUJFWSA-N 2 0 238.379 -0.282 20 0 BBADRP C(CN1CC[NH2+]CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000420309162 192210867 /nfs/dbraw/zinc/21/08/67/192210867.db2.gz DMTDHEHOJLGZSL-ZDUSSCGKSA-N 2 0 238.379 -0.282 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000420319919 192195028 /nfs/dbraw/zinc/19/50/28/192195028.db2.gz AYVUZWQMPVJXGM-UHFFFAOYSA-N 2 0 226.368 -0.295 20 0 BBADRP CCS(=O)(=O)NCCC[N@H+](C)C1CC([NH3+])C1 ZINC000420328634 192229865 /nfs/dbraw/zinc/22/98/65/192229865.db2.gz HYGVASROIIVWIM-UHFFFAOYSA-N 2 0 249.380 -0.263 20 0 BBADRP C[N@H+](CCC(=O)N1CCOCC1)C1CC([NH3+])C1 ZINC000420329299 192230290 /nfs/dbraw/zinc/23/02/90/192230290.db2.gz JECQJOGGOJKOBX-UHFFFAOYSA-N 2 0 241.335 -0.343 20 0 BBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000420340805 192215945 /nfs/dbraw/zinc/21/59/45/192215945.db2.gz ULRZMPUSCNHZBT-UHFFFAOYSA-N 3 0 240.351 -0.770 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000420345464 192215456 /nfs/dbraw/zinc/21/54/56/192215456.db2.gz ZNFRVMWOSMCMRM-UHFFFAOYSA-N 3 0 212.341 -0.687 20 0 BBADRP CN(CCC1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000420351411 192217174 /nfs/dbraw/zinc/21/71/74/192217174.db2.gz WYUSGSANFLAIHM-RYUDHWBXSA-N 2 0 227.352 -0.359 20 0 BBADRP COC(=O)[C@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000420353394 192217900 /nfs/dbraw/zinc/21/79/00/192217900.db2.gz BQQDMGVWZBSGHM-SECBINFHSA-N 2 0 218.297 -0.297 20 0 BBADRP COC(=O)[C@@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000420353398 192218312 /nfs/dbraw/zinc/21/83/12/192218312.db2.gz BQQDMGVWZBSGHM-VIFPVBQESA-N 2 0 218.297 -0.297 20 0 BBADRP COC(=O)[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000420353680 192218136 /nfs/dbraw/zinc/21/81/36/192218136.db2.gz BUBXIBWSGVDDKR-JTQLQIEISA-N 2 0 230.308 -0.153 20 0 BBADRP COC(=O)[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000420353681 192217546 /nfs/dbraw/zinc/21/75/46/192217546.db2.gz BUBXIBWSGVDDKR-SNVBAGLBSA-N 2 0 230.308 -0.153 20 0 BBADRP CC[NH+](CC)CCCN(C)C[C@H](O)C[NH3+] ZINC000420361570 192222053 /nfs/dbraw/zinc/22/20/53/192222053.db2.gz YLDBZELDCLPOJD-LLVKDONJSA-N 2 0 217.357 -0.030 20 0 BBADRP CC[NH+](CC)CCCN(C)C[C@@H](O)C[NH3+] ZINC000420361571 192221946 /nfs/dbraw/zinc/22/19/46/192221946.db2.gz YLDBZELDCLPOJD-NSHDSACASA-N 2 0 217.357 -0.030 20 0 BBADRP COC(=O)C[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000420368936 192226275 /nfs/dbraw/zinc/22/62/75/192226275.db2.gz XACFQOCIYZAYBQ-JTQLQIEISA-N 2 0 230.308 -0.011 20 0 BBADRP COC(=O)C[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000420368937 192226052 /nfs/dbraw/zinc/22/60/52/192226052.db2.gz XACFQOCIYZAYBQ-SNVBAGLBSA-N 2 0 230.308 -0.011 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCN1CC[NH2+]CC1 ZINC000420372250 192230070 /nfs/dbraw/zinc/23/00/70/192230070.db2.gz QDTIDIACZDRESE-AGIUHOORSA-N 2 0 240.395 -0.132 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCN1CC[NH2+]CC1 ZINC000420372251 192229180 /nfs/dbraw/zinc/22/91/80/192229180.db2.gz QDTIDIACZDRESE-FRRDWIJNSA-N 2 0 240.395 -0.132 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCN1CC[NH2+]CC1 ZINC000420372252 192230296 /nfs/dbraw/zinc/23/02/96/192230296.db2.gz QDTIDIACZDRESE-JHJVBQTASA-N 2 0 240.395 -0.132 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCN1CC[NH2+]CC1 ZINC000420372253 192229002 /nfs/dbraw/zinc/22/90/02/192229002.db2.gz QDTIDIACZDRESE-UPJWGTAASA-N 2 0 240.395 -0.132 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCOCC[NH3+] ZINC000420374407 192231768 /nfs/dbraw/zinc/23/17/68/192231768.db2.gz RXFSKCNCRBABIS-GMTAPVOTSA-N 2 0 215.341 -0.062 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCOCC[NH3+] ZINC000420374408 192232014 /nfs/dbraw/zinc/23/20/14/192232014.db2.gz RXFSKCNCRBABIS-MXWKQRLJSA-N 2 0 215.341 -0.062 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCOCC[NH3+] ZINC000420374409 192232453 /nfs/dbraw/zinc/23/24/53/192232453.db2.gz RXFSKCNCRBABIS-OUAUKWLOSA-N 2 0 215.341 -0.062 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCOCC[NH3+] ZINC000420374410 192232311 /nfs/dbraw/zinc/23/23/11/192232311.db2.gz RXFSKCNCRBABIS-VWYCJHECSA-N 2 0 215.341 -0.062 20 0 BBADRP [NH3+]CCOCCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420381777 192235819 /nfs/dbraw/zinc/23/58/19/192235819.db2.gz CQRWADQDLYTFJU-PHIMTYICSA-N 2 0 213.325 -0.212 20 0 BBADRP C[C@@H]1CCN(CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000420391789 192236612 /nfs/dbraw/zinc/23/66/12/192236612.db2.gz AZTAOVQYDVVVCP-NXEZZACHSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@H]1CCN(CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000420391791 192237056 /nfs/dbraw/zinc/23/70/56/192237056.db2.gz AZTAOVQYDVVVCP-UWVGGRQHSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@H]1CCN(CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000420391793 192236841 /nfs/dbraw/zinc/23/68/41/192236841.db2.gz AZTAOVQYDVVVCP-VHSXEESVSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@@H]1CCN(CCNS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000420391794 192237317 /nfs/dbraw/zinc/23/73/17/192237317.db2.gz AZTAOVQYDVVVCP-ZJUUUORDSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000420409210 192239897 /nfs/dbraw/zinc/23/98/97/192239897.db2.gz QIKCXPBUTDBAPJ-GHMZBOCLSA-N 3 0 215.341 -0.122 20 0 BBADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000420409213 388000267 /nfs/dbraw/zinc/00/02/67/388000267.db2.gz QIKCXPBUTDBAPJ-MNOVXSKESA-N 3 0 215.341 -0.122 20 0 BBADRP C[C@H]1CC[N@H+](CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000420409216 192239032 /nfs/dbraw/zinc/23/90/32/192239032.db2.gz QIKCXPBUTDBAPJ-QWRGUYRKSA-N 3 0 215.341 -0.122 20 0 BBADRP C[C@H]1CC[N@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000420409218 387998912 /nfs/dbraw/zinc/99/89/12/387998912.db2.gz QIKCXPBUTDBAPJ-WDEREUQCSA-N 3 0 215.341 -0.122 20 0 BBADRP CCCS(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420464239 192243742 /nfs/dbraw/zinc/24/37/42/192243742.db2.gz XHIKMZHXENANPH-UHFFFAOYSA-N 2 0 237.369 -0.274 20 0 BBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)CC1CC1 ZINC000420466131 192243750 /nfs/dbraw/zinc/24/37/50/192243750.db2.gz ZRQZYILSOHTQFQ-UHFFFAOYSA-N 2 0 249.380 -0.274 20 0 BBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000422782840 387681326 /nfs/dbraw/zinc/68/13/26/387681326.db2.gz NJSMMJJHRTUVFM-GHMZBOCLSA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000422782841 387680737 /nfs/dbraw/zinc/68/07/37/387680737.db2.gz NJSMMJJHRTUVFM-MNOVXSKESA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000422782842 387681339 /nfs/dbraw/zinc/68/13/39/387681339.db2.gz NJSMMJJHRTUVFM-QWRGUYRKSA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH3+])C1 ZINC000422782843 192466098 /nfs/dbraw/zinc/46/60/98/192466098.db2.gz NJSMMJJHRTUVFM-WDEREUQCSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000422788776 387732842 /nfs/dbraw/zinc/73/28/42/387732842.db2.gz RLWNBEALYHJXMD-LLVKDONJSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000422788777 387732706 /nfs/dbraw/zinc/73/27/06/387732706.db2.gz RLWNBEALYHJXMD-NSHDSACASA-N 2 0 243.351 -0.179 20 0 BBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000422874245 387751930 /nfs/dbraw/zinc/75/19/30/387751930.db2.gz CKRCAUKOALMWSD-JTQLQIEISA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000422874246 387752730 /nfs/dbraw/zinc/75/27/30/387752730.db2.gz CKRCAUKOALMWSD-SNVBAGLBSA-N 2 0 243.351 -0.051 20 0 BBADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184452 387969834 /nfs/dbraw/zinc/96/98/34/387969834.db2.gz TWMROWZZQPASRS-CHWSQXEVSA-N 2 0 240.395 -0.179 20 0 BBADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184453 387970361 /nfs/dbraw/zinc/97/03/61/387970361.db2.gz TWMROWZZQPASRS-OLZOCXBDSA-N 2 0 240.395 -0.179 20 0 BBADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184454 387969404 /nfs/dbraw/zinc/96/94/04/387969404.db2.gz TWMROWZZQPASRS-QWHCGFSZSA-N 2 0 240.395 -0.179 20 0 BBADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184455 387970063 /nfs/dbraw/zinc/97/00/63/387970063.db2.gz TWMROWZZQPASRS-STQMWFEESA-N 2 0 240.395 -0.179 20 0 BBADRP C[C@@H]1CCNC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423193560 411238267 /nfs/dbraw/zinc/23/82/67/411238267.db2.gz WYQQZALNYRIEBP-CHWSQXEVSA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423193561 411238206 /nfs/dbraw/zinc/23/82/06/411238206.db2.gz WYQQZALNYRIEBP-OLZOCXBDSA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@H]1CCNC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423193562 411237924 /nfs/dbraw/zinc/23/79/24/411237924.db2.gz WYQQZALNYRIEBP-QWHCGFSZSA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@H]1CCNC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423193563 411238283 /nfs/dbraw/zinc/23/82/83/411238283.db2.gz WYQQZALNYRIEBP-STQMWFEESA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCN1CC[NH2+]CC1 ZINC000423200159 387986187 /nfs/dbraw/zinc/98/61/87/387986187.db2.gz DQAUDXMEHRAWST-NEPJUHHUSA-N 2 0 226.368 -0.521 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NCCN1CC[NH2+]CC1 ZINC000423200160 387986595 /nfs/dbraw/zinc/98/65/95/387986595.db2.gz DQAUDXMEHRAWST-NWDGAFQWSA-N 2 0 226.368 -0.521 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NCCN1CC[NH2+]CC1 ZINC000423200161 387986783 /nfs/dbraw/zinc/98/67/83/387986783.db2.gz DQAUDXMEHRAWST-RYUDHWBXSA-N 2 0 226.368 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NCCN1CC[NH2+]CC1 ZINC000423200162 387986631 /nfs/dbraw/zinc/98/66/31/387986631.db2.gz DQAUDXMEHRAWST-VXGBXAGGSA-N 2 0 226.368 -0.521 20 0 BBADRP CCN1C[C@@H](C)[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200872 387988485 /nfs/dbraw/zinc/98/84/85/387988485.db2.gz GTXWLMPBDGCACQ-CHWSQXEVSA-N 2 0 240.395 -0.179 20 0 BBADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200873 387988158 /nfs/dbraw/zinc/98/81/58/387988158.db2.gz GTXWLMPBDGCACQ-OLZOCXBDSA-N 2 0 240.395 -0.179 20 0 BBADRP CCN1C[C@H](C)[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200874 387987611 /nfs/dbraw/zinc/98/76/11/387987611.db2.gz GTXWLMPBDGCACQ-QWHCGFSZSA-N 2 0 240.395 -0.179 20 0 BBADRP CCN1C[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423200875 387988492 /nfs/dbraw/zinc/98/84/92/387988492.db2.gz GTXWLMPBDGCACQ-STQMWFEESA-N 2 0 240.395 -0.179 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423209598 192628774 /nfs/dbraw/zinc/62/87/74/192628774.db2.gz VFTRWSBLFNCODS-CHWSQXEVSA-N 3 0 240.395 -0.001 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423209599 387994207 /nfs/dbraw/zinc/99/42/07/387994207.db2.gz VFTRWSBLFNCODS-OLZOCXBDSA-N 3 0 240.395 -0.001 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423209600 387993225 /nfs/dbraw/zinc/99/32/25/387993225.db2.gz VFTRWSBLFNCODS-QWHCGFSZSA-N 3 0 240.395 -0.001 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423209601 387992672 /nfs/dbraw/zinc/99/26/72/387992672.db2.gz VFTRWSBLFNCODS-STQMWFEESA-N 3 0 240.395 -0.001 20 0 BBADRP CC[NH2+]CCN[C@@H]1CC[N@H+](CCOC)C1 ZINC000423237712 388021575 /nfs/dbraw/zinc/02/15/75/388021575.db2.gz DPFHFBXOXXYQEU-LLVKDONJSA-N 2 0 215.341 -0.094 20 0 BBADRP CC[NH2+]CCN[C@H]1CC[N@H+](CCOC)C1 ZINC000423237714 388020480 /nfs/dbraw/zinc/02/04/80/388020480.db2.gz DPFHFBXOXXYQEU-NSHDSACASA-N 2 0 215.341 -0.094 20 0 BBADRP COCC[NH2+]CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423319032 387159879 /nfs/dbraw/zinc/15/98/79/387159879.db2.gz CBLPVKBJHGTMMJ-GHMZBOCLSA-N 2 0 215.341 -0.190 20 0 BBADRP COCC[NH2+]CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000423319043 387158585 /nfs/dbraw/zinc/15/85/85/387158585.db2.gz CBLPVKBJHGTMMJ-MNOVXSKESA-N 2 0 215.341 -0.190 20 0 BBADRP COCC[NH2+]CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423319044 387159962 /nfs/dbraw/zinc/15/99/62/387159962.db2.gz CBLPVKBJHGTMMJ-QWRGUYRKSA-N 2 0 215.341 -0.190 20 0 BBADRP COCC[NH2+]CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423319045 192704570 /nfs/dbraw/zinc/70/45/70/192704570.db2.gz CBLPVKBJHGTMMJ-WDEREUQCSA-N 2 0 215.341 -0.190 20 0 BBADRP COCC[NH2+]CCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000423331079 387174675 /nfs/dbraw/zinc/17/46/75/387174675.db2.gz MKFUGRDZCZLKKP-GHMZBOCLSA-N 2 0 215.341 -0.238 20 0 BBADRP COCC[NH2+]CCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000423331085 192712273 /nfs/dbraw/zinc/71/22/73/192712273.db2.gz MKFUGRDZCZLKKP-MNOVXSKESA-N 2 0 215.341 -0.238 20 0 BBADRP COCC[NH2+]CCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000423331087 387176208 /nfs/dbraw/zinc/17/62/08/387176208.db2.gz MKFUGRDZCZLKKP-QWRGUYRKSA-N 2 0 215.341 -0.238 20 0 BBADRP COCC[NH2+]CCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000423331089 387176599 /nfs/dbraw/zinc/17/65/99/387176599.db2.gz MKFUGRDZCZLKKP-WDEREUQCSA-N 2 0 215.341 -0.238 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)C1(C)C[NH2+]C1 ZINC000423339343 387187787 /nfs/dbraw/zinc/18/77/87/387187787.db2.gz WKTGOVGAPIFKET-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[NH2+]CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423345127 387196141 /nfs/dbraw/zinc/19/61/41/387196141.db2.gz XLZOLVWEJAXWPH-GHMZBOCLSA-N 2 0 215.341 -0.048 20 0 BBADRP COCC[NH2+]CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423345143 387194820 /nfs/dbraw/zinc/19/48/20/387194820.db2.gz XLZOLVWEJAXWPH-MNOVXSKESA-N 2 0 215.341 -0.048 20 0 BBADRP COCC[NH2+]CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423345145 387196108 /nfs/dbraw/zinc/19/61/08/387196108.db2.gz XLZOLVWEJAXWPH-QWRGUYRKSA-N 2 0 215.341 -0.048 20 0 BBADRP COCC[NH2+]CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423345146 387194149 /nfs/dbraw/zinc/19/41/49/387194149.db2.gz XLZOLVWEJAXWPH-WDEREUQCSA-N 2 0 215.341 -0.048 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000423388536 387272701 /nfs/dbraw/zinc/27/27/01/387272701.db2.gz UCTVLFLFUQDWPJ-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000423388537 387272970 /nfs/dbraw/zinc/27/29/70/387272970.db2.gz UCTVLFLFUQDWPJ-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000423429288 387253878 /nfs/dbraw/zinc/25/38/78/387253878.db2.gz SHRGNIDYGCGOPG-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH+](C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000423456245 387304955 /nfs/dbraw/zinc/30/49/55/387304955.db2.gz NQUHBZMNEFLHCH-JTQLQIEISA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH+](C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423456246 387304071 /nfs/dbraw/zinc/30/40/71/387304071.db2.gz NQUHBZMNEFLHCH-SNVBAGLBSA-N 2 0 211.309 -0.099 20 0 BBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000423468330 387315862 /nfs/dbraw/zinc/31/58/62/387315862.db2.gz YGVNZODFWVBODT-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH3+])C1 ZINC000423468334 387314528 /nfs/dbraw/zinc/31/45/28/387314528.db2.gz YGVNZODFWVBODT-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000423468336 387314288 /nfs/dbraw/zinc/31/42/88/387314288.db2.gz YGVNZODFWVBODT-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000423468339 387314882 /nfs/dbraw/zinc/31/48/82/387314882.db2.gz YGVNZODFWVBODT-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CC[N@H+]1C[C@H](NC[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000423484678 387332128 /nfs/dbraw/zinc/33/21/28/387332128.db2.gz AHQIVPMZULXHNX-AVGNSLFASA-N 2 0 240.395 -0.180 20 0 BBADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000423484682 387331272 /nfs/dbraw/zinc/33/12/72/387331272.db2.gz AHQIVPMZULXHNX-RWMBFGLXSA-N 2 0 240.395 -0.180 20 0 BBADRP CC[N@H+]1C[C@H](NC[C@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000423484684 387331831 /nfs/dbraw/zinc/33/18/31/387331831.db2.gz AHQIVPMZULXHNX-XQQFMLRXSA-N 2 0 240.395 -0.180 20 0 BBADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2C[NH2+]CCN2C)C1 ZINC000423484687 387330772 /nfs/dbraw/zinc/33/07/72/387330772.db2.gz AHQIVPMZULXHNX-YNEHKIRRSA-N 2 0 240.395 -0.180 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423520185 387353121 /nfs/dbraw/zinc/35/31/21/387353121.db2.gz PWJUCAFPTBMTQU-GHMZBOCLSA-N 2 0 245.367 -0.042 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423520188 192801488 /nfs/dbraw/zinc/80/14/88/192801488.db2.gz PWJUCAFPTBMTQU-MNOVXSKESA-N 2 0 245.367 -0.042 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423520189 387353643 /nfs/dbraw/zinc/35/36/43/387353643.db2.gz PWJUCAFPTBMTQU-QWRGUYRKSA-N 2 0 245.367 -0.042 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423520190 387353316 /nfs/dbraw/zinc/35/33/16/387353316.db2.gz PWJUCAFPTBMTQU-WDEREUQCSA-N 2 0 245.367 -0.042 20 0 BBADRP CC1(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[NH2+]C1 ZINC000423524288 192803284 /nfs/dbraw/zinc/80/32/84/192803284.db2.gz JDPYRUWQIDZDMN-AEJSXWLSSA-N 2 0 223.320 -0.208 20 0 BBADRP CC1(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[NH2+]C1 ZINC000423524322 387356563 /nfs/dbraw/zinc/35/65/63/387356563.db2.gz JDPYRUWQIDZDMN-GUBZILKMSA-N 2 0 223.320 -0.208 20 0 BBADRP CC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C[NH2+]C1 ZINC000423524324 387356512 /nfs/dbraw/zinc/35/65/12/387356512.db2.gz JDPYRUWQIDZDMN-IVZWLZJFSA-N 2 0 223.320 -0.208 20 0 BBADRP CC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C[NH2+]C1 ZINC000423524326 387355157 /nfs/dbraw/zinc/35/51/57/387355157.db2.gz JDPYRUWQIDZDMN-LPEHRKFASA-N 2 0 223.320 -0.208 20 0 BBADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2C[NH2+]CCO2)C1 ZINC000423526276 387356577 /nfs/dbraw/zinc/35/65/77/387356577.db2.gz QDHHYVCTGMMWPL-QJPTWQEYSA-N 2 0 227.352 -0.095 20 0 BBADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH2+]CCO2)C1 ZINC000423526285 387356395 /nfs/dbraw/zinc/35/63/95/387356395.db2.gz QDHHYVCTGMMWPL-SDDRHHMPSA-N 2 0 227.352 -0.095 20 0 BBADRP CC[N@H+]1C[C@H](NC[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423526287 387355980 /nfs/dbraw/zinc/35/59/80/387355980.db2.gz QDHHYVCTGMMWPL-SRVKXCTJSA-N 2 0 227.352 -0.095 20 0 BBADRP CC[N@H+]1C[C@H](NC[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423526289 387355406 /nfs/dbraw/zinc/35/54/06/387355406.db2.gz QDHHYVCTGMMWPL-TUAOUCFPSA-N 2 0 227.352 -0.095 20 0 BBADRP CCC[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000423536209 387362231 /nfs/dbraw/zinc/36/22/31/387362231.db2.gz HCHZVKDYGVPKTN-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000423536212 387361588 /nfs/dbraw/zinc/36/15/88/387361588.db2.gz HCHZVKDYGVPKTN-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000423536213 387361166 /nfs/dbraw/zinc/36/11/66/387361166.db2.gz HCHZVKDYGVPKTN-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000423536214 387361098 /nfs/dbraw/zinc/36/10/98/387361098.db2.gz HCHZVKDYGVPKTN-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP CC1(C(=O)NCC[C@H]2CCC[NH2+]2)C[NH2+]C1 ZINC000423584768 192816171 /nfs/dbraw/zinc/81/61/71/192816171.db2.gz QQZBNVCXUKCYTM-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP CCCCN1CCOC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000423596158 387385249 /nfs/dbraw/zinc/38/52/49/387385249.db2.gz RDPHGEICKNCTQN-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000423596159 387385129 /nfs/dbraw/zinc/38/51/29/387385129.db2.gz RDPHGEICKNCTQN-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000423624278 387387423 /nfs/dbraw/zinc/38/74/23/387387423.db2.gz CUJQHJXKRPCEST-GHMZBOCLSA-N 2 0 243.351 -0.180 20 0 BBADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000423624281 387386387 /nfs/dbraw/zinc/38/63/87/387386387.db2.gz CUJQHJXKRPCEST-MNOVXSKESA-N 2 0 243.351 -0.180 20 0 BBADRP C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000423624284 387387837 /nfs/dbraw/zinc/38/78/37/387387837.db2.gz CUJQHJXKRPCEST-QWRGUYRKSA-N 2 0 243.351 -0.180 20 0 BBADRP C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000423624287 387388251 /nfs/dbraw/zinc/38/82/51/387388251.db2.gz CUJQHJXKRPCEST-WDEREUQCSA-N 2 0 243.351 -0.180 20 0 BBADRP COC[C@]1(CNC(=O)C2(C)C[NH2+]C2)CCC[NH2+]1 ZINC000423631814 387389571 /nfs/dbraw/zinc/38/95/71/387389571.db2.gz HQVPSSHJRPFTJI-GFCCVEGCSA-N 2 0 241.335 -0.519 20 0 BBADRP COC[C@@]1(CNC(=O)C2(C)C[NH2+]C2)CCC[NH2+]1 ZINC000423631815 387389460 /nfs/dbraw/zinc/38/94/60/387389460.db2.gz HQVPSSHJRPFTJI-LBPRGKRZSA-N 2 0 241.335 -0.519 20 0 BBADRP CCN1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)C1 ZINC000423649816 387392177 /nfs/dbraw/zinc/39/21/77/387392177.db2.gz PWVCEFIUARDMOD-AXFHLTTASA-N 2 0 241.335 -0.345 20 0 BBADRP CCN1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000423649818 387391270 /nfs/dbraw/zinc/39/12/70/387391270.db2.gz PWVCEFIUARDMOD-DCAQKATOSA-N 2 0 241.335 -0.345 20 0 BBADRP CCN1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC000423649820 387392020 /nfs/dbraw/zinc/39/20/20/387392020.db2.gz PWVCEFIUARDMOD-MXWKQRLJSA-N 2 0 241.335 -0.345 20 0 BBADRP CCN1CCO[C@H](C(=O)N2CC[C@H]([NH3+])[C@H]2C)C1 ZINC000423649822 387390810 /nfs/dbraw/zinc/39/08/10/387390810.db2.gz PWVCEFIUARDMOD-VWYCJHECSA-N 2 0 241.335 -0.345 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C12CCC[NH+]1CCC2 ZINC000423661664 387391131 /nfs/dbraw/zinc/39/11/31/387391131.db2.gz COTULOMIZNNBSH-URLYPYJESA-N 2 0 235.331 -0.051 20 0 BBADRP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)[NH3+] ZINC000423671837 387393671 /nfs/dbraw/zinc/39/36/71/387393671.db2.gz XFQCISLSXCFCCJ-FBDQPXRJSA-N 2 0 225.336 -0.060 20 0 BBADRP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)[NH3+] ZINC000423671838 387394032 /nfs/dbraw/zinc/39/40/32/387394032.db2.gz XFQCISLSXCFCCJ-NZFPMDFQSA-N 2 0 225.336 -0.060 20 0 BBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)[NH3+] ZINC000423671839 192820971 /nfs/dbraw/zinc/82/09/71/192820971.db2.gz XFQCISLSXCFCCJ-QUARPLMYSA-N 2 0 225.336 -0.060 20 0 BBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)[NH3+] ZINC000423671840 192821524 /nfs/dbraw/zinc/82/15/24/192821524.db2.gz XFQCISLSXCFCCJ-UVOCVTCTSA-N 2 0 225.336 -0.060 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000423675441 387395184 /nfs/dbraw/zinc/39/51/84/387395184.db2.gz HYRUWNBEOMFLCT-GHMZBOCLSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000423675448 387395331 /nfs/dbraw/zinc/39/53/31/387395331.db2.gz HYRUWNBEOMFLCT-MNOVXSKESA-N 2 0 243.351 -0.051 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000423675450 387395057 /nfs/dbraw/zinc/39/50/57/387395057.db2.gz HYRUWNBEOMFLCT-QWRGUYRKSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000423675451 387395045 /nfs/dbraw/zinc/39/50/45/387395045.db2.gz HYRUWNBEOMFLCT-WDEREUQCSA-N 2 0 243.351 -0.051 20 0 BBADRP CC1(C)CN(C(=O)COC2C[NH2+]C2)CC[NH2+]1 ZINC000423705160 387401522 /nfs/dbraw/zinc/40/15/22/387401522.db2.gz GVYQMMSSHSXDJJ-UHFFFAOYSA-N 2 0 227.308 -0.815 20 0 BBADRP CC1(C)CN(C(=O)CCOC2C[NH2+]C2)CC[NH2+]1 ZINC000423708824 387401231 /nfs/dbraw/zinc/40/12/31/387401231.db2.gz NADZPVXJQMMKSL-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)CCC[NH3+] ZINC000423734266 387405708 /nfs/dbraw/zinc/40/57/08/387405708.db2.gz ATRPUTCHGMGFMD-UHFFFAOYSA-N 2 0 231.340 -0.238 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)C[C@H](C)[NH3+] ZINC000423735023 192826701 /nfs/dbraw/zinc/82/67/01/192826701.db2.gz BVKSMYIAKOBXTE-JTQLQIEISA-N 2 0 231.340 -0.240 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)C[C@@H](C)[NH3+] ZINC000423735380 387404242 /nfs/dbraw/zinc/40/42/42/387404242.db2.gz BVKSMYIAKOBXTE-SNVBAGLBSA-N 2 0 231.340 -0.240 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N(CCOC)CC[NH+](C)C ZINC000423736540 387405756 /nfs/dbraw/zinc/40/57/56/387405756.db2.gz CXXFOSBDIMLIBK-LLVKDONJSA-N 2 0 245.367 -0.122 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N(CCOC)CC[NH+](C)C ZINC000423736556 387405224 /nfs/dbraw/zinc/40/52/24/387405224.db2.gz CXXFOSBDIMLIBK-NSHDSACASA-N 2 0 245.367 -0.122 20 0 BBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CC[NH3+] ZINC000423740120 192826573 /nfs/dbraw/zinc/82/65/73/192826573.db2.gz GPDYAJPOXJUGCR-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CC[NH3+] ZINC000423740122 387404337 /nfs/dbraw/zinc/40/43/37/387404337.db2.gz GPDYAJPOXJUGCR-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP CC1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[NH2+]C1 ZINC000423742923 387407316 /nfs/dbraw/zinc/40/73/16/387407316.db2.gz LHLNEPNAPUCKSD-LURJTMIESA-N 2 0 239.241 -0.008 20 0 BBADRP CC1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[NH2+]C1 ZINC000423742924 387407871 /nfs/dbraw/zinc/40/78/71/387407871.db2.gz LHLNEPNAPUCKSD-ZCFIWIBFSA-N 2 0 239.241 -0.008 20 0 BBADRP C[NH2+]CCC(=O)N(CCOC)CC[NH+](C)C ZINC000423744331 387407419 /nfs/dbraw/zinc/40/74/19/387407419.db2.gz NVBXQKKWMIFEOX-UHFFFAOYSA-N 2 0 231.340 -0.368 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH3+] ZINC000423745219 387406619 /nfs/dbraw/zinc/40/66/19/387406619.db2.gz PDHZBRPXYNBKLQ-JTQLQIEISA-N 2 0 231.340 -0.382 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@H](C)C[NH3+] ZINC000423745220 387406902 /nfs/dbraw/zinc/40/69/02/387406902.db2.gz PDHZBRPXYNBKLQ-SNVBAGLBSA-N 2 0 231.340 -0.382 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000423747881 387410171 /nfs/dbraw/zinc/41/01/71/387410171.db2.gz SZXGOIKWPMBLCO-SNVBAGLBSA-N 2 0 229.324 -0.615 20 0 BBADRP C[NH2+]CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423748218 192827373 /nfs/dbraw/zinc/82/73/73/192827373.db2.gz QJFKXNMRCQQSFX-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH2+]CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423748219 387410012 /nfs/dbraw/zinc/41/00/12/387410012.db2.gz QJFKXNMRCQQSFX-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423748463 387409513 /nfs/dbraw/zinc/40/95/13/387409513.db2.gz UMMXVZLWUYSVAL-LLVKDONJSA-N 2 0 243.351 -0.368 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC[NH2+]C1 ZINC000423748464 387409341 /nfs/dbraw/zinc/40/93/41/387409341.db2.gz UMMXVZLWUYSVAL-NSHDSACASA-N 2 0 243.351 -0.368 20 0 BBADRP CC[C@H]([NH3+])C(=O)N(CCOC)CC[NH+](C)C ZINC000423749104 387410122 /nfs/dbraw/zinc/41/01/22/387410122.db2.gz VGOGKQDTPHBWDE-JTQLQIEISA-N 2 0 231.340 -0.240 20 0 BBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[NH3+] ZINC000423753654 387411468 /nfs/dbraw/zinc/41/14/68/387411468.db2.gz XMMNRKGDHWIIES-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[NH3+] ZINC000423753655 387411457 /nfs/dbraw/zinc/41/14/57/387411457.db2.gz XMMNRKGDHWIIES-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423754535 387411890 /nfs/dbraw/zinc/41/18/90/387411890.db2.gz YYHCJXMZJPWLPC-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423754536 387411929 /nfs/dbraw/zinc/41/19/29/387411929.db2.gz YYHCJXMZJPWLPC-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423754538 192829373 /nfs/dbraw/zinc/82/93/73/192829373.db2.gz YYHCJXMZJPWLPC-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423754540 192828944 /nfs/dbraw/zinc/82/89/44/192828944.db2.gz YYHCJXMZJPWLPC-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423778304 387422423 /nfs/dbraw/zinc/42/24/23/387422423.db2.gz SQLRFLJWOHDKRY-GHMZBOCLSA-N 2 0 243.351 -0.241 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423778306 387423183 /nfs/dbraw/zinc/42/31/83/387423183.db2.gz SQLRFLJWOHDKRY-MNOVXSKESA-N 2 0 243.351 -0.241 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423778307 387422249 /nfs/dbraw/zinc/42/22/49/387422249.db2.gz SQLRFLJWOHDKRY-QWRGUYRKSA-N 2 0 243.351 -0.241 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423778309 387421614 /nfs/dbraw/zinc/42/16/14/387421614.db2.gz SQLRFLJWOHDKRY-WDEREUQCSA-N 2 0 243.351 -0.241 20 0 BBADRP COCC[NH2+]CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423837035 387435361 /nfs/dbraw/zinc/43/53/61/387435361.db2.gz ANEQZSYXXUJPIP-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP CN(CC[N@H+](C)C1CC1)C(=O)COC1C[NH2+]C1 ZINC000423843151 387435484 /nfs/dbraw/zinc/43/54/84/387435484.db2.gz HVSGBDBRITVGII-UHFFFAOYSA-N 2 0 241.335 -0.473 20 0 BBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[NH2+]1 ZINC000423855050 387438318 /nfs/dbraw/zinc/43/83/18/387438318.db2.gz WLUNJVHIMCHXOG-SNVBAGLBSA-N 2 0 211.309 -0.099 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000423950663 387456860 /nfs/dbraw/zinc/45/68/60/387456860.db2.gz INWXZOWWSRXMKU-JTQLQIEISA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000423950665 192849349 /nfs/dbraw/zinc/84/93/49/192849349.db2.gz INWXZOWWSRXMKU-SNVBAGLBSA-N 2 0 243.351 -0.146 20 0 BBADRP CCN1CCO[C@H](C(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000423978100 387462897 /nfs/dbraw/zinc/46/28/97/387462897.db2.gz NXWBJGYRINGDMA-AXFHLTTASA-N 2 0 241.335 -0.487 20 0 BBADRP CCN1CCO[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000423978111 387462877 /nfs/dbraw/zinc/46/28/77/387462877.db2.gz NXWBJGYRINGDMA-DCAQKATOSA-N 2 0 241.335 -0.487 20 0 BBADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423978114 387462867 /nfs/dbraw/zinc/46/28/67/387462867.db2.gz NXWBJGYRINGDMA-MXWKQRLJSA-N 2 0 241.335 -0.487 20 0 BBADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000423978117 387461659 /nfs/dbraw/zinc/46/16/59/387461659.db2.gz NXWBJGYRINGDMA-VWYCJHECSA-N 2 0 241.335 -0.487 20 0 BBADRP CCN1CCO[C@@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000423979690 387462394 /nfs/dbraw/zinc/46/23/94/387462394.db2.gz PWVCEFIUARDMOD-GARJFASQSA-N 2 0 241.335 -0.345 20 0 BBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH3+])C1 ZINC000423993244 387461792 /nfs/dbraw/zinc/46/17/92/387461792.db2.gz AMJGLUMMHWGMSS-JTQLQIEISA-N 2 0 229.324 -0.487 20 0 BBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH3+])C1 ZINC000423993245 387462970 /nfs/dbraw/zinc/46/29/70/387462970.db2.gz AMJGLUMMHWGMSS-SNVBAGLBSA-N 2 0 229.324 -0.487 20 0 BBADRP CC(C)[C@H](C(=O)N(C)CC[NH3+])[NH+](C)C ZINC000424002666 387464409 /nfs/dbraw/zinc/46/44/09/387464409.db2.gz JIKRCTBDDQYWGH-SECBINFHSA-N 2 0 201.314 -0.010 20 0 BBADRP CC(C)[C@@H](C(=O)N(C)CC[NH3+])[NH+](C)C ZINC000424002677 192852574 /nfs/dbraw/zinc/85/25/74/192852574.db2.gz JIKRCTBDDQYWGH-VIFPVBQESA-N 2 0 201.314 -0.010 20 0 BBADRP CCN1CCO[C@@H](C(=O)N(C)CCC[NH2+]C)C1 ZINC000424025662 387467976 /nfs/dbraw/zinc/46/79/76/387467976.db2.gz ZSDKARVYMUIBBE-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042205 387467887 /nfs/dbraw/zinc/46/78/87/387467887.db2.gz ALDWDKJKRAAUEK-WDEREUQCSA-N 2 0 241.335 -0.473 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042229 387469025 /nfs/dbraw/zinc/46/90/25/387469025.db2.gz AWRVNABTQRQZKE-WDEREUQCSA-N 2 0 241.335 -0.473 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424045221 387470920 /nfs/dbraw/zinc/47/09/20/387470920.db2.gz MMNAUIUNVUVVED-WDEREUQCSA-N 2 0 241.335 -0.474 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000424047728 387469789 /nfs/dbraw/zinc/46/97/89/387469789.db2.gz VZGQZOCIKAEBRK-ONGXEEELSA-N 2 0 241.335 -0.378 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424055807 387472128 /nfs/dbraw/zinc/47/21/28/387472128.db2.gz FSJBTWVINQYKCD-AEJSXWLSSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424055808 387472953 /nfs/dbraw/zinc/47/29/53/387472953.db2.gz FSJBTWVINQYKCD-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424055831 387472739 /nfs/dbraw/zinc/47/27/39/387472739.db2.gz GAYVNSAWYGYGFT-OLFALWBMSA-N 2 0 209.293 -0.267 20 0 BBADRP C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000424059661 387473948 /nfs/dbraw/zinc/47/39/48/387473948.db2.gz OPZAUHARPYMCGG-JLIMGVALSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000424059666 387474530 /nfs/dbraw/zinc/47/45/30/387474530.db2.gz OPZAUHARPYMCGG-KYXWUPHJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC000424059669 387474814 /nfs/dbraw/zinc/47/48/14/387474814.db2.gz OPZAUHARPYMCGG-QEYWKRMJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC000424059670 387474517 /nfs/dbraw/zinc/47/45/17/387474517.db2.gz OPZAUHARPYMCGG-RGOKHQFPSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1C[NH3+] ZINC000424071333 387476999 /nfs/dbraw/zinc/47/69/99/387476999.db2.gz BDXZSGDGKQFCRT-DOLQZWNJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1C[NH3+] ZINC000424071334 192859162 /nfs/dbraw/zinc/85/91/62/192859162.db2.gz BDXZSGDGKQFCRT-IMSYWVGJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1C[NH3+] ZINC000424071335 387475527 /nfs/dbraw/zinc/47/55/27/387475527.db2.gz BDXZSGDGKQFCRT-JXUBOQSCSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1C[NH3+] ZINC000424071336 387475560 /nfs/dbraw/zinc/47/55/60/387475560.db2.gz BDXZSGDGKQFCRT-QCLAVDOMSA-N 2 0 211.309 -0.081 20 0 BBADRP CCCN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000424071431 387476636 /nfs/dbraw/zinc/47/66/36/387476636.db2.gz BLMDOJVJYGLDED-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CCCN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000424071432 387475661 /nfs/dbraw/zinc/47/56/61/387475661.db2.gz BLMDOJVJYGLDED-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424074794 387478629 /nfs/dbraw/zinc/47/86/29/387478629.db2.gz IFJVHCVYPSEJNP-DOLQZWNJSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424074795 387478288 /nfs/dbraw/zinc/47/82/88/387478288.db2.gz IFJVHCVYPSEJNP-IMSYWVGJSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424074796 387478770 /nfs/dbraw/zinc/47/87/70/387478770.db2.gz IFJVHCVYPSEJNP-JXUBOQSCSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424074797 387478058 /nfs/dbraw/zinc/47/80/58/387478058.db2.gz IFJVHCVYPSEJNP-QCLAVDOMSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424075585 387478269 /nfs/dbraw/zinc/47/82/69/387478269.db2.gz JTQDQFSXTAFNGQ-MNOVXSKESA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424075595 387478620 /nfs/dbraw/zinc/47/86/20/387478620.db2.gz JUKUTPYBTYFWEZ-QNSHHTMESA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424075596 387478729 /nfs/dbraw/zinc/47/87/29/387478729.db2.gz JUKUTPYBTYFWEZ-SFGNSQDASA-N 2 0 211.309 -0.081 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000424077094 387479943 /nfs/dbraw/zinc/47/99/43/387479943.db2.gz NNBQQNLWUVPGKX-KXUCPTDWSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000424077095 387479748 /nfs/dbraw/zinc/47/97/48/387479748.db2.gz NNBQQNLWUVPGKX-LPEHRKFASA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424079298 387480746 /nfs/dbraw/zinc/48/07/46/387480746.db2.gz RCWIRNAUWBDEQD-JLIMGVALSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424079299 387480690 /nfs/dbraw/zinc/48/06/90/387480690.db2.gz RCWIRNAUWBDEQD-KYXWUPHJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424079300 387480532 /nfs/dbraw/zinc/48/05/32/387480532.db2.gz RCWIRNAUWBDEQD-QEYWKRMJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424079301 387480794 /nfs/dbraw/zinc/48/07/94/387480794.db2.gz RCWIRNAUWBDEQD-RGOKHQFPSA-N 2 0 211.309 -0.081 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424080666 387480135 /nfs/dbraw/zinc/48/01/35/387480135.db2.gz TUFMVCKIZZVFPF-XFWSIPNHSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000424126890 387603810 /nfs/dbraw/zinc/60/38/10/387603810.db2.gz CFEWYJGSZOXOPO-WDEREUQCSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000424134861 387649015 /nfs/dbraw/zinc/64/90/15/387649015.db2.gz OECNJRNDGGLPRH-WDEREUQCSA-N 2 0 241.335 -0.703 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424134876 387647964 /nfs/dbraw/zinc/64/79/64/387647964.db2.gz OFMNQTQDICADCU-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCSC1 ZINC000424136545 387660157 /nfs/dbraw/zinc/66/01/57/387660157.db2.gz QVRLTCFVIKQWML-WCABBAIRSA-N 2 0 243.376 -0.113 20 0 BBADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCSC1 ZINC000424136547 387660874 /nfs/dbraw/zinc/66/08/74/387660874.db2.gz QVRLTCFVIKQWML-YWVKMMECSA-N 2 0 243.376 -0.113 20 0 BBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C1CC1 ZINC000424136642 387662909 /nfs/dbraw/zinc/66/29/09/387662909.db2.gz RBLMMSGGZHYWCF-KXUCPTDWSA-N 2 0 211.309 -0.210 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C1CC1 ZINC000424136644 387661504 /nfs/dbraw/zinc/66/15/04/387661504.db2.gz RBLMMSGGZHYWCF-UTLUCORTSA-N 2 0 211.309 -0.210 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424136982 387662827 /nfs/dbraw/zinc/66/28/27/387662827.db2.gz AIGVLTZWWGQPCW-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424136983 387662072 /nfs/dbraw/zinc/66/20/72/387662072.db2.gz AIGVLTZWWGQPCW-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000424137009 387661814 /nfs/dbraw/zinc/66/18/14/387661814.db2.gz AKLFHQCQZMUBOW-IQJOONFLSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000424137012 387662248 /nfs/dbraw/zinc/66/22/48/387662248.db2.gz AKLFHQCQZMUBOW-NGZCFLSTSA-N 2 0 209.293 -0.454 20 0 BBADRP CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000424138513 387671510 /nfs/dbraw/zinc/67/15/10/387671510.db2.gz CIGHHQOBTLHNOQ-JLIMGVALSA-N 2 0 227.308 -0.702 20 0 BBADRP CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000424138514 387672409 /nfs/dbraw/zinc/67/24/09/387672409.db2.gz CIGHHQOBTLHNOQ-KYXWUPHJSA-N 2 0 227.308 -0.702 20 0 BBADRP CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000424138515 387671925 /nfs/dbraw/zinc/67/19/25/387671925.db2.gz CIGHHQOBTLHNOQ-QEYWKRMJSA-N 2 0 227.308 -0.702 20 0 BBADRP CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000424138516 200864293 /nfs/dbraw/zinc/86/42/93/200864293.db2.gz CIGHHQOBTLHNOQ-RGOKHQFPSA-N 2 0 227.308 -0.702 20 0 BBADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424140234 387690229 /nfs/dbraw/zinc/69/02/29/387690229.db2.gz FBJGVFKIGDIUFN-MNOVXSKESA-N 2 0 240.351 -0.913 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424140668 387698409 /nfs/dbraw/zinc/69/84/09/387698409.db2.gz BNTHCQDKGUEXHZ-AEJSXWLSSA-N 2 0 211.309 -0.114 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424140670 387698227 /nfs/dbraw/zinc/69/82/27/387698227.db2.gz BNTHCQDKGUEXHZ-BBBLOLIVSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140862 387700790 /nfs/dbraw/zinc/70/07/90/387700790.db2.gz FUORHPYVIBWTQQ-CDEVMZEPSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140863 387699931 /nfs/dbraw/zinc/69/99/31/387699931.db2.gz FUORHPYVIBWTQQ-CZULRBLNSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140864 387700622 /nfs/dbraw/zinc/70/06/22/387700622.db2.gz FUORHPYVIBWTQQ-SNXWAXQRSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424140865 387700898 /nfs/dbraw/zinc/70/08/98/387700898.db2.gz FUORHPYVIBWTQQ-VFRUTBLMSA-N 2 0 223.320 -0.068 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000424141685 412302268 /nfs/dbraw/zinc/30/22/68/412302268.db2.gz HLQGMKMUNATKRJ-VHSXEESVSA-N 2 0 243.270 0.553 20 0 BBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424141697 387719876 /nfs/dbraw/zinc/71/98/76/387719876.db2.gz HMOZANWYNWBPBO-AXFHLTTASA-N 2 0 243.351 -0.193 20 0 BBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424141698 387720098 /nfs/dbraw/zinc/72/00/98/387720098.db2.gz HMOZANWYNWBPBO-MXWKQRLJSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1C ZINC000424143460 387753273 /nfs/dbraw/zinc/75/32/73/387753273.db2.gz JUWOFDLLZNGSIN-JLIMGVALSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1C ZINC000424143461 387753360 /nfs/dbraw/zinc/75/33/60/387753360.db2.gz JUWOFDLLZNGSIN-KYXWUPHJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1C ZINC000424143462 387752616 /nfs/dbraw/zinc/75/26/16/387752616.db2.gz JUWOFDLLZNGSIN-QEYWKRMJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1C ZINC000424143463 387752897 /nfs/dbraw/zinc/75/28/97/387752897.db2.gz JUWOFDLLZNGSIN-RGOKHQFPSA-N 2 0 211.309 -0.068 20 0 BBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424143808 387754328 /nfs/dbraw/zinc/75/43/28/387754328.db2.gz GGQGEVZPGCKCJI-MNOVXSKESA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCOCC1 ZINC000424149213 200868376 /nfs/dbraw/zinc/86/83/76/200868376.db2.gz VVHPBPQHHBUXOT-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CCC[NH2+]CC1 ZINC000424154304 387815151 /nfs/dbraw/zinc/81/51/51/387815151.db2.gz JNSHYADWIOEWOC-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC000424154305 387816306 /nfs/dbraw/zinc/81/63/06/387816306.db2.gz JNSHYADWIOEWOC-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C)COCCN1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424155190 387816381 /nfs/dbraw/zinc/81/63/81/387816381.db2.gz MJZSWCUPOQLHSF-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000424155324 387815821 /nfs/dbraw/zinc/81/58/21/387815821.db2.gz KTOKHKOVKYNONQ-QCLAVDOMSA-N 2 0 209.293 -0.314 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C1CC1 ZINC000424155629 387820213 /nfs/dbraw/zinc/82/02/13/387820213.db2.gz NEOFLFWZFJNQAL-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])n1 ZINC000424156238 412176048 /nfs/dbraw/zinc/17/60/48/412176048.db2.gz OFAOPLMGPBVBMA-BDAKNGLRSA-N 2 0 237.307 -0.270 20 0 BBADRP C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000424157119 387826357 /nfs/dbraw/zinc/82/63/57/387826357.db2.gz QREXGUUNXGHSCZ-WCABBAIRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@]1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000424157121 387827600 /nfs/dbraw/zinc/82/76/00/387827600.db2.gz QREXGUUNXGHSCZ-YWVKMMECSA-N 2 0 211.309 -0.161 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424158143 387833498 /nfs/dbraw/zinc/83/34/98/387833498.db2.gz QPRXBPPJSPXHQM-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424158145 387833328 /nfs/dbraw/zinc/83/33/28/387833328.db2.gz QPRXBPPJSPXHQM-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424158460 387835131 /nfs/dbraw/zinc/83/51/31/387835131.db2.gz SUFMIHBPLPOZRY-MNOVXSKESA-N 2 0 240.351 -0.913 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000424159957 387839531 /nfs/dbraw/zinc/83/95/31/387839531.db2.gz WJWABTUWLHNSDC-FBDQPXRJSA-N 2 0 223.320 -0.081 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000424159960 387839905 /nfs/dbraw/zinc/83/99/05/387839905.db2.gz WJWABTUWLHNSDC-LADJIXMOSA-N 2 0 223.320 -0.081 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000424159963 387839759 /nfs/dbraw/zinc/83/97/59/387839759.db2.gz WJWABTUWLHNSDC-RCZSTQMZSA-N 2 0 223.320 -0.081 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000424159966 387839355 /nfs/dbraw/zinc/83/93/55/387839355.db2.gz WJWABTUWLHNSDC-ZKKRXERASA-N 2 0 223.320 -0.081 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CC[NH+](C)CC1 ZINC000424160848 387838524 /nfs/dbraw/zinc/83/85/24/387838524.db2.gz XKVIJRMHTPNPLS-AXFHLTTASA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CC[NH+](C)CC1 ZINC000424160849 387839709 /nfs/dbraw/zinc/83/97/09/387839709.db2.gz XKVIJRMHTPNPLS-MXWKQRLJSA-N 2 0 240.351 -0.914 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(F)F ZINC000424160905 387840422 /nfs/dbraw/zinc/84/04/22/387840422.db2.gz AZUHLZLHKPAUCQ-NKWVEPMBSA-N 2 0 237.250 -0.927 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C(F)F ZINC000424160910 387841361 /nfs/dbraw/zinc/84/13/61/387841361.db2.gz AZUHLZLHKPAUCQ-RNFRBKRXSA-N 2 0 237.250 -0.927 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160975 387841016 /nfs/dbraw/zinc/84/10/16/387841016.db2.gz BCDMVQOELAHJOO-GRDBIXFFSA-N 2 0 211.309 -0.164 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160980 387841445 /nfs/dbraw/zinc/84/14/45/387841445.db2.gz BCDMVQOELAHJOO-KGDYZURWSA-N 2 0 211.309 -0.164 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160982 387841367 /nfs/dbraw/zinc/84/13/67/387841367.db2.gz BCDMVQOELAHJOO-MQIGXGKASA-N 2 0 211.309 -0.164 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160984 387841044 /nfs/dbraw/zinc/84/10/44/387841044.db2.gz BCDMVQOELAHJOO-VFCFLDTKSA-N 2 0 211.309 -0.164 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000424161343 387840724 /nfs/dbraw/zinc/84/07/24/387840724.db2.gz YCIKUDABHZHJLJ-KXUCPTDWSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000424161345 387841334 /nfs/dbraw/zinc/84/13/34/387841334.db2.gz YCIKUDABHZHJLJ-LPEHRKFASA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000424161403 387840251 /nfs/dbraw/zinc/84/02/51/387840251.db2.gz YHMYQLFLNAOZHE-JDDHQFAOSA-N 2 0 209.293 -0.471 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000424161404 387840843 /nfs/dbraw/zinc/84/08/43/387840843.db2.gz YHMYQLFLNAOZHE-RXKWGBCNSA-N 2 0 209.293 -0.471 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC000424161405 387841376 /nfs/dbraw/zinc/84/13/76/387841376.db2.gz YHMYQLFLNAOZHE-SOYHJAILSA-N 2 0 209.293 -0.471 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000424161406 387840704 /nfs/dbraw/zinc/84/07/04/387840704.db2.gz YHMYQLFLNAOZHE-SRQGCSHVSA-N 2 0 209.293 -0.471 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424161820 387844645 /nfs/dbraw/zinc/84/46/45/387844645.db2.gz WDNFZSAQEFSXJW-AEJSXWLSSA-N 2 0 227.308 -0.830 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424161822 387843958 /nfs/dbraw/zinc/84/39/58/387843958.db2.gz WDNFZSAQEFSXJW-BBBLOLIVSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424162304 387844723 /nfs/dbraw/zinc/84/47/23/387844723.db2.gz ZLHZLTKWJDQZFG-AXFHLTTASA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424162305 387844584 /nfs/dbraw/zinc/84/45/84/387844584.db2.gz ZLHZLTKWJDQZFG-MXWKQRLJSA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000424164261 387847798 /nfs/dbraw/zinc/84/77/98/387847798.db2.gz ZBFBNYNUERHWMW-QNSHHTMESA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000424164262 387848701 /nfs/dbraw/zinc/84/87/01/387848701.db2.gz ZBFBNYNUERHWMW-SFGNSQDASA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000424166938 387853108 /nfs/dbraw/zinc/85/31/08/387853108.db2.gz HAEUYXQDWLMZEQ-JLIMGVALSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000424166939 387852991 /nfs/dbraw/zinc/85/29/91/387852991.db2.gz HAEUYXQDWLMZEQ-KYXWUPHJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000424166940 387854602 /nfs/dbraw/zinc/85/46/02/387854602.db2.gz HAEUYXQDWLMZEQ-QEYWKRMJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000424166941 200872655 /nfs/dbraw/zinc/87/26/55/200872655.db2.gz HAEUYXQDWLMZEQ-RGOKHQFPSA-N 2 0 211.309 -0.081 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424167754 387856711 /nfs/dbraw/zinc/85/67/11/387856711.db2.gz HONKBHOVTSPIAQ-BDAKNGLRSA-N 2 0 215.297 -0.972 20 0 BBADRP COC[C@]1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCC[NH2+]1 ZINC000424169428 387865597 /nfs/dbraw/zinc/86/55/97/387865597.db2.gz JLSNXGKZOHYIRI-WCABBAIRSA-N 2 0 227.308 -0.782 20 0 BBADRP COC[C@@]1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCC[NH2+]1 ZINC000424169430 200874972 /nfs/dbraw/zinc/87/49/72/200874972.db2.gz JLSNXGKZOHYIRI-YWVKMMECSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000424170081 387861793 /nfs/dbraw/zinc/86/17/93/387861793.db2.gz KCWFYTVIKOIIOR-AATLWQCWSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000424170083 387861483 /nfs/dbraw/zinc/86/14/83/387861483.db2.gz KCWFYTVIKOIIOR-DOLQZWNJSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000424170085 387861739 /nfs/dbraw/zinc/86/17/39/387861739.db2.gz KCWFYTVIKOIIOR-QCLAVDOMSA-N 2 0 209.293 -0.599 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424170420 387861119 /nfs/dbraw/zinc/86/11/19/387861119.db2.gz HYUHDLLMMXKZSY-ZJUUUORDSA-N 2 0 229.324 -0.630 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000424170486 387861867 /nfs/dbraw/zinc/86/18/67/387861867.db2.gz KCWFYTVIKOIIOR-XFWSIPNHSA-N 2 0 209.293 -0.599 20 0 BBADRP COCC1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC[NH2+]CC1 ZINC000424170528 387861517 /nfs/dbraw/zinc/86/15/17/387861517.db2.gz KEYLVUHDHGERNV-ZJUUUORDSA-N 2 0 241.335 -0.534 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000424171145 387862895 /nfs/dbraw/zinc/86/28/95/387862895.db2.gz BYEXGPCKCCXAJN-RRKCRQDMSA-N 2 0 219.235 -0.553 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000424171149 387863474 /nfs/dbraw/zinc/86/34/74/387863474.db2.gz BYEXGPCKCCXAJN-XVMARJQXSA-N 2 0 219.235 -0.553 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000424172067 387865394 /nfs/dbraw/zinc/86/53/94/387865394.db2.gz LEFJWRWEMMNUGA-UKKRHICBSA-N 2 0 223.320 -0.162 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]1NCCO[C@@H]1C ZINC000424172272 387865283 /nfs/dbraw/zinc/86/52/83/387865283.db2.gz LLKOSQOYDBRPCG-BGZDPUMWSA-N 2 0 215.297 -0.785 20 0 BBADRP C[C@@H](NC(=O)[C@H]1NCCO[C@@H]1C)[C@H](C)[NH3+] ZINC000424172273 387865405 /nfs/dbraw/zinc/86/54/05/387865405.db2.gz LLKOSQOYDBRPCG-KDXUFGMBSA-N 2 0 215.297 -0.785 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1NCCO[C@@H]1C ZINC000424172274 387863948 /nfs/dbraw/zinc/86/39/48/387863948.db2.gz LLKOSQOYDBRPCG-MAUMQABQSA-N 2 0 215.297 -0.785 20 0 BBADRP CC1(C)CN(C(=O)C2([NH3+])CCOCC2)CC[NH2+]1 ZINC000424173515 387873518 /nfs/dbraw/zinc/87/35/18/387873518.db2.gz DYBFOLYRBUQESU-UHFFFAOYSA-N 2 0 241.335 -0.295 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@@H]2C1 ZINC000424174038 387873905 /nfs/dbraw/zinc/87/39/05/387873905.db2.gz NWXNWWMQYCNBDG-CHWFTXMASA-N 2 0 223.320 -0.114 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@H]2C1 ZINC000424174175 387866249 /nfs/dbraw/zinc/86/62/49/387866249.db2.gz NWXNWWMQYCNBDG-VLEAKVRGSA-N 2 0 223.320 -0.114 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@H]2C1 ZINC000424174184 387866429 /nfs/dbraw/zinc/86/64/29/387866429.db2.gz NWXNWWMQYCNBDG-ZNSHCXBVSA-N 2 0 223.320 -0.114 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])[C@@H]2C1 ZINC000424174193 387867483 /nfs/dbraw/zinc/86/74/83/387867483.db2.gz NWXNWWMQYCNBDG-ZRUFSTJUSA-N 2 0 223.320 -0.114 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000424174604 387874521 /nfs/dbraw/zinc/87/45/21/387874521.db2.gz MUGQGKJGAICFPC-HOSYDEDBSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000424174605 387875073 /nfs/dbraw/zinc/87/50/73/387875073.db2.gz MUGQGKJGAICFPC-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(F)F ZINC000424177103 387888096 /nfs/dbraw/zinc/88/80/96/387888096.db2.gz PLWONDYEOYJYRR-NGJCXOISSA-N 2 0 207.224 -0.568 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(F)F ZINC000424177105 387887882 /nfs/dbraw/zinc/88/78/82/387887882.db2.gz PLWONDYEOYJYRR-SRQIZXRXSA-N 2 0 207.224 -0.568 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000424178699 200877095 /nfs/dbraw/zinc/87/70/95/200877095.db2.gz RUFFNZFJCVZLEU-AXTSPUMRSA-N 2 0 209.293 -0.456 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000424178702 387889462 /nfs/dbraw/zinc/88/94/62/387889462.db2.gz RUFFNZFJCVZLEU-QEYWKRMJSA-N 2 0 209.293 -0.456 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000424178705 200876909 /nfs/dbraw/zinc/87/69/09/200876909.db2.gz RUFFNZFJCVZLEU-RGOKHQFPSA-N 2 0 209.293 -0.456 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000424178708 387889696 /nfs/dbraw/zinc/88/96/96/387889696.db2.gz RUFFNZFJCVZLEU-UTINFBMNSA-N 2 0 209.293 -0.456 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000424178818 387889492 /nfs/dbraw/zinc/88/94/92/387889492.db2.gz XMHRPJUVHQMIEH-GHMZBOCLSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000424178822 387888962 /nfs/dbraw/zinc/88/89/62/387888962.db2.gz XMHRPJUVHQMIEH-WDEREUQCSA-N 2 0 239.319 -0.672 20 0 BBADRP C[C@]1(F)CNCCN(C(=O)[C@H]2COCCN2)C1 ZINC000424179750 387891370 /nfs/dbraw/zinc/89/13/70/387891370.db2.gz UFDMOLVXWKSHTQ-KOLCDFICSA-N 2 0 245.298 -0.865 20 0 BBADRP C[C@@]1(F)CNCCN(C(=O)[C@H]2COCCN2)C1 ZINC000424179751 387891784 /nfs/dbraw/zinc/89/17/84/387891784.db2.gz UFDMOLVXWKSHTQ-MWLCHTKSSA-N 2 0 245.298 -0.865 20 0 BBADRP C[C@]1(F)CNCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000424179752 387890905 /nfs/dbraw/zinc/89/09/05/387890905.db2.gz UFDMOLVXWKSHTQ-ONGXEEELSA-N 2 0 245.298 -0.865 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000424180192 387891136 /nfs/dbraw/zinc/89/11/36/387891136.db2.gz VDPYMPCKAYTCSI-AATLWQCWSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000424180193 387891452 /nfs/dbraw/zinc/89/14/52/387891452.db2.gz VDPYMPCKAYTCSI-DOLQZWNJSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000424180194 387890685 /nfs/dbraw/zinc/89/06/85/387890685.db2.gz VDPYMPCKAYTCSI-QCLAVDOMSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000424180195 387890853 /nfs/dbraw/zinc/89/08/53/387890853.db2.gz VDPYMPCKAYTCSI-XFWSIPNHSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424180888 387892344 /nfs/dbraw/zinc/89/23/44/387892344.db2.gz WRFJGYSBKKXCLW-GARJFASQSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424180890 200878964 /nfs/dbraw/zinc/87/89/64/200878964.db2.gz WRFJGYSBKKXCLW-GMTAPVOTSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424180892 387892875 /nfs/dbraw/zinc/89/28/75/387892875.db2.gz WRFJGYSBKKXCLW-HBNTYKKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424180893 387892250 /nfs/dbraw/zinc/89/22/50/387892250.db2.gz WRFJGYSBKKXCLW-OUAUKWLOSA-N 2 0 241.335 -0.392 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+]2CCC1CC2 ZINC000424181085 387893808 /nfs/dbraw/zinc/89/38/08/387893808.db2.gz QSHNXPSKXLIDTF-LLVKDONJSA-N 2 0 239.319 -0.719 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000424182515 387896770 /nfs/dbraw/zinc/89/67/70/387896770.db2.gz ZOCKCMPFRLJUAE-ZRUFSTJUSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(F)(F)F ZINC000424186738 387903937 /nfs/dbraw/zinc/90/39/37/387903937.db2.gz HHRIREXQAZSNFC-NGJCXOISSA-N 2 0 225.214 -0.271 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(F)(F)F ZINC000424186739 387903288 /nfs/dbraw/zinc/90/32/88/387903288.db2.gz HHRIREXQAZSNFC-SRQIZXRXSA-N 2 0 225.214 -0.271 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424187730 643884902 /nfs/dbraw/zinc/88/49/02/643884902.db2.gz BFWILNIKCCEWDS-PWSUYJOCSA-N 2 0 239.319 -0.671 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424187732 643884940 /nfs/dbraw/zinc/88/49/40/643884940.db2.gz BFWILNIKCCEWDS-ZYHUDNBSSA-N 2 0 239.319 -0.671 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000424187870 200881722 /nfs/dbraw/zinc/88/17/22/200881722.db2.gz IXLBIRWLQBLFJE-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000424187871 387904594 /nfs/dbraw/zinc/90/45/94/387904594.db2.gz IXLBIRWLQBLFJE-LPEHRKFASA-N 2 0 211.309 -0.018 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424188262 387908284 /nfs/dbraw/zinc/90/82/84/387908284.db2.gz BTKFXFFPKFEOPY-BDAKNGLRSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424188264 387909473 /nfs/dbraw/zinc/90/94/73/387909473.db2.gz BTKFXFFPKFEOPY-RKDXNWHRSA-N 2 0 229.324 -0.536 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424189335 387912221 /nfs/dbraw/zinc/91/22/21/387912221.db2.gz KMMWHYCMEWCBKS-BDAKNGLRSA-N 2 0 227.308 -0.769 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424189340 387910228 /nfs/dbraw/zinc/91/02/28/387910228.db2.gz KMMWHYCMEWCBKS-RKDXNWHRSA-N 2 0 227.308 -0.769 20 0 BBADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000424190104 387912834 /nfs/dbraw/zinc/91/28/34/387912834.db2.gz LVODDZNNGKJJRB-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000424190106 387913041 /nfs/dbraw/zinc/91/30/41/387913041.db2.gz LVODDZNNGKJJRB-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)C1(C[NH3+])CCC1 ZINC000424190942 387915893 /nfs/dbraw/zinc/91/58/93/387915893.db2.gz NGBHWXVHHOEFSV-SECBINFHSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@]1(C)C[NH3+] ZINC000424193229 206034142 /nfs/dbraw/zinc/03/41/42/206034142.db2.gz KDODDDIWDCYSGL-CKYFFXLPSA-N 2 0 241.335 -0.582 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000424193846 206034446 /nfs/dbraw/zinc/03/44/46/206034446.db2.gz RITNYGWCYILJSI-HBNTYKKESA-N 2 0 239.319 -0.815 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424196801 387922053 /nfs/dbraw/zinc/92/20/53/387922053.db2.gz VUXIAJWYQNLSFN-NXEZZACHSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424196808 387923517 /nfs/dbraw/zinc/92/35/17/387923517.db2.gz VUXIAJWYQNLSFN-ZJUUUORDSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@]1(C)C[NH3+] ZINC000424197631 387923963 /nfs/dbraw/zinc/92/39/63/387923963.db2.gz ODNJNXQUMWUSIE-SDNRWEOFSA-N 2 0 211.309 -0.223 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1C[NH2+]CCO1 ZINC000424197827 387924895 /nfs/dbraw/zinc/92/48/95/387924895.db2.gz XFGLSMKKAYJSQK-HTQZYQBOSA-N 2 0 249.261 -0.912 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1C[NH2+]CCO1 ZINC000424197828 387924981 /nfs/dbraw/zinc/92/49/81/387924981.db2.gz XFGLSMKKAYJSQK-SFYZADRCSA-N 2 0 249.261 -0.912 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000424198809 387926545 /nfs/dbraw/zinc/92/65/45/387926545.db2.gz JWSKEKJTCMACGV-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000424207065 398176423 /nfs/dbraw/zinc/17/64/23/398176423.db2.gz XEIYAKLMBLANLL-GHMZBOCLSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000424207066 398176616 /nfs/dbraw/zinc/17/66/16/398176616.db2.gz XEIYAKLMBLANLL-WDEREUQCSA-N 2 0 241.335 -0.392 20 0 BBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H](C[NH3+])C1CC1 ZINC000424209232 387929995 /nfs/dbraw/zinc/92/99/95/387929995.db2.gz ZKQRMCINRFWITB-NXEZZACHSA-N 2 0 227.308 -0.830 20 0 BBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H](C[NH3+])C1CC1 ZINC000424209234 387930203 /nfs/dbraw/zinc/93/02/03/387930203.db2.gz ZKQRMCINRFWITB-VHSXEESVSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000424209888 387930174 /nfs/dbraw/zinc/93/01/74/387930174.db2.gz ZZTJOUAALJUNOR-UWVGGRQHSA-N 2 0 241.335 -0.249 20 0 BBADRP COCC(C)(C)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000424216597 387933497 /nfs/dbraw/zinc/93/34/97/387933497.db2.gz IZEOSJQVRRAGSK-UHFFFAOYSA-N 2 0 243.351 -0.096 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000424216793 387932636 /nfs/dbraw/zinc/93/26/36/387932636.db2.gz JNUUQKRKHWBWSW-DBIOUOCHSA-N 2 0 241.335 -0.121 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424218135 387935317 /nfs/dbraw/zinc/93/53/17/387935317.db2.gz QXBPBQAEPVXLHD-IVZWLZJFSA-N 2 0 229.324 -0.264 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424218136 387934466 /nfs/dbraw/zinc/93/44/66/387934466.db2.gz QXBPBQAEPVXLHD-OPRDCNLKSA-N 2 0 229.324 -0.264 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000424218964 387936198 /nfs/dbraw/zinc/93/61/98/387936198.db2.gz YJWUANWNXMBVOE-GHMZBOCLSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000424234220 387942071 /nfs/dbraw/zinc/94/20/71/387942071.db2.gz GMQUTBJMWIEAPJ-NXEZZACHSA-N 2 0 227.308 -0.639 20 0 BBADRP O=C(C1C[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000424280934 387950761 /nfs/dbraw/zinc/95/07/61/387950761.db2.gz ILOKPQVRSQLYRS-UHFFFAOYSA-N 2 0 209.293 -0.440 20 0 BBADRP COCC(C)(C)[NH+]1CCN(CC[NH3+])CC1 ZINC000424289195 387953523 /nfs/dbraw/zinc/95/35/23/387953523.db2.gz BOVFFNSOIRDUKP-UHFFFAOYSA-N 2 0 215.341 -0.012 20 0 BBADRP [NH3+]CCOCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289616 387953029 /nfs/dbraw/zinc/95/30/29/387953029.db2.gz MCXQZRSMIRLLTD-NXEZZACHSA-N 3 0 201.314 -0.179 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000424295991 387956521 /nfs/dbraw/zinc/95/65/21/387956521.db2.gz RUKORQWTEHKMDF-VXGBXAGGSA-N 3 0 226.368 -0.249 20 0 BBADRP C[NH2+]CCCN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424302943 200903849 /nfs/dbraw/zinc/90/38/49/200903849.db2.gz YNZUDFMUUPJWDA-NWDGAFQWSA-N 2 0 237.351 -0.244 20 0 BBADRP CNC(=O)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424330477 387974565 /nfs/dbraw/zinc/97/45/65/387974565.db2.gz ICXWAXPAPWFLRY-RKDXNWHRSA-N 2 0 242.323 -0.308 20 0 BBADRP CCS(=O)(=O)NCCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424331359 387977316 /nfs/dbraw/zinc/97/73/16/387977316.db2.gz JOTLFBHWAISKJE-NXEZZACHSA-N 2 0 249.380 -0.215 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424334714 387978580 /nfs/dbraw/zinc/97/85/80/387978580.db2.gz NZXYKFXOJBNNGN-NXEZZACHSA-N 2 0 249.380 -0.215 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000424337316 387980108 /nfs/dbraw/zinc/98/01/08/387980108.db2.gz RJWCQNNZWHIIQA-RKDXNWHRSA-N 2 0 240.307 -0.602 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424337480 387980730 /nfs/dbraw/zinc/98/07/30/387980730.db2.gz RXQTXNZORQQFDN-LLVKDONJSA-N 2 0 239.323 -0.110 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424337481 387980238 /nfs/dbraw/zinc/98/02/38/387980238.db2.gz RXQTXNZORQQFDN-NSHDSACASA-N 2 0 239.323 -0.110 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000424340679 387982978 /nfs/dbraw/zinc/98/29/78/387982978.db2.gz YQIPXPGMFUPUDG-NXEZZACHSA-N 2 0 239.319 -0.005 20 0 BBADRP Cn1cc([C@@H]2CN(CC(C)(C)[NH3+])C[C@H]2[NH3+])cn1 ZINC000424373839 387999849 /nfs/dbraw/zinc/99/98/49/387999849.db2.gz HJNZSNXNUQVBKL-WDEREUQCSA-N 2 0 237.351 -0.116 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000424461094 388012330 /nfs/dbraw/zinc/01/23/30/388012330.db2.gz CJCZIVTZZHGQTN-QGKZMRNZSA-N 2 0 238.335 -0.227 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000424472986 200929097 /nfs/dbraw/zinc/92/90/97/200929097.db2.gz GLFKWAZTQBKTQA-IVZWLZJFSA-N 2 0 226.324 -0.083 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000424472988 388015177 /nfs/dbraw/zinc/01/51/77/388015177.db2.gz GLFKWAZTQBKTQA-OPRDCNLKSA-N 2 0 226.324 -0.083 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424476993 200929256 /nfs/dbraw/zinc/92/92/56/200929256.db2.gz KUUMNGYCFBRQNO-RKDXNWHRSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424477933 388032666 /nfs/dbraw/zinc/03/26/66/388032666.db2.gz MCUANKYRLRXLPW-DJLDLDEBSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424477936 388034460 /nfs/dbraw/zinc/03/44/60/388034460.db2.gz MCUANKYRLRXLPW-IWSPIJDZSA-N 2 0 214.313 -0.097 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1C[NH2+]C1 ZINC000424478329 388035448 /nfs/dbraw/zinc/03/54/48/388035448.db2.gz NDQWTGNWNCGKQW-NXEZZACHSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424480013 388036540 /nfs/dbraw/zinc/03/65/40/388036540.db2.gz PSJDXQHJBRCUCK-RKDXNWHRSA-N 2 0 214.313 -0.096 20 0 BBADRP [NH3+]CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424481120 388037709 /nfs/dbraw/zinc/03/77/09/388037709.db2.gz QOTOJQCEHNKLSG-HTQZYQBOSA-N 2 0 200.286 -0.486 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000427591103 191083324 /nfs/dbraw/zinc/08/33/24/191083324.db2.gz HDVSWMIWNVQNJK-NXEZZACHSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000427591104 191083395 /nfs/dbraw/zinc/08/33/95/191083395.db2.gz HDVSWMIWNVQNJK-UWVGGRQHSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000427591105 191083127 /nfs/dbraw/zinc/08/31/27/191083127.db2.gz HDVSWMIWNVQNJK-VHSXEESVSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000427591106 191083422 /nfs/dbraw/zinc/08/34/22/191083422.db2.gz HDVSWMIWNVQNJK-ZJUUUORDSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000427599936 191082613 /nfs/dbraw/zinc/08/26/13/191082613.db2.gz CPILCCXJBOHIRO-GXSJLCMTSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000427599939 191082807 /nfs/dbraw/zinc/08/28/07/191082807.db2.gz CPILCCXJBOHIRO-KOLCDFICSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000427599940 191083066 /nfs/dbraw/zinc/08/30/66/191083066.db2.gz CPILCCXJBOHIRO-MWLCHTKSSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000427599941 191083116 /nfs/dbraw/zinc/08/31/16/191083116.db2.gz CPILCCXJBOHIRO-ONGXEEELSA-N 2 0 241.335 -0.521 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000428041699 386274825 /nfs/dbraw/zinc/27/48/25/386274825.db2.gz RNOMCUFICWGRAH-GHMZBOCLSA-N 2 0 243.351 -0.241 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000428041703 219877226 /nfs/dbraw/zinc/87/72/26/219877226.db2.gz RNOMCUFICWGRAH-WDEREUQCSA-N 2 0 243.351 -0.241 20 0 BBADRP CC[NH+]1CCN(CC(=O)NCCC[NH2+]C)CC1 ZINC000428139905 192017504 /nfs/dbraw/zinc/01/75/04/192017504.db2.gz DMMBCMDFFMJGTA-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000428361966 191093521 /nfs/dbraw/zinc/09/35/21/191093521.db2.gz GGQICIZYNXSEOK-LLVKDONJSA-N 2 0 240.351 -0.817 20 0 BBADRP C[C@H](C(=O)N1CCC[NH2+]CC1)N1CCOCC1 ZINC000428423691 201015520 /nfs/dbraw/zinc/01/55/20/201015520.db2.gz RAYGGWDVHWJTSF-LLVKDONJSA-N 2 0 241.335 -0.471 20 0 BBADRP C[C@@H](C(=O)N1CCC[NH2+]CC1)N1CCOCC1 ZINC000428423700 201016464 /nfs/dbraw/zinc/01/64/64/201016464.db2.gz RAYGGWDVHWJTSF-NSHDSACASA-N 2 0 241.335 -0.471 20 0 BBADRP CC[NH+]1CCN(CC(=O)NCCC[NH3+])CC1 ZINC000428463612 201020390 /nfs/dbraw/zinc/02/03/90/201020390.db2.gz SAEJWZYBHLZSTQ-UHFFFAOYSA-N 2 0 228.340 -0.911 20 0 BBADRP CC[NH+]1CCN(CCC(=O)NCCC[NH3+])CC1 ZINC000428476816 201025388 /nfs/dbraw/zinc/02/53/88/201025388.db2.gz CTXKGPJMTBTRMR-UHFFFAOYSA-N 2 0 242.367 -0.521 20 0 BBADRP [NH3+]C1(CNC(=O)COC2C[NH2+]C2)CCCCC1 ZINC000428491127 201025236 /nfs/dbraw/zinc/02/52/36/201025236.db2.gz SMGZDKRFYJEBQO-UHFFFAOYSA-N 2 0 241.335 -0.247 20 0 BBADRP CCC[N@H+](C)CC(=O)NCCN1CC[NH2+]CC1 ZINC000428655586 384260325 /nfs/dbraw/zinc/26/03/25/384260325.db2.gz MIMQICQYKGJLHD-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP CC[NH+]1CCN(CC(=O)NC(C)(C)C[NH3+])CC1 ZINC000428926280 201048883 /nfs/dbraw/zinc/04/88/83/201048883.db2.gz YQZMGFVSRKRCOH-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH+](C)C ZINC000428980114 201055300 /nfs/dbraw/zinc/05/53/00/201055300.db2.gz NMUGVCIWHAOHOQ-LLVKDONJSA-N 2 0 243.351 -0.368 20 0 BBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH+](C)C ZINC000428980115 201054869 /nfs/dbraw/zinc/05/48/69/201054869.db2.gz NMUGVCIWHAOHOQ-NSHDSACASA-N 2 0 243.351 -0.368 20 0 BBADRP CNC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000428999272 201059112 /nfs/dbraw/zinc/05/91/12/201059112.db2.gz VTKSYUSOAADERX-UHFFFAOYSA-N 2 0 244.383 -0.452 20 0 BBADRP CC[NH+]1CCN(CC(=O)NCC[C@@H](C)[NH3+])CC1 ZINC000429048935 201062767 /nfs/dbraw/zinc/06/27/67/201062767.db2.gz ZQMFFTIBARFIHJ-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN(CC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000429048936 201062902 /nfs/dbraw/zinc/06/29/02/201062902.db2.gz ZQMFFTIBARFIHJ-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000429062921 201066135 /nfs/dbraw/zinc/06/61/35/201066135.db2.gz GGQICIZYNXSEOK-NSHDSACASA-N 2 0 240.351 -0.817 20 0 BBADRP CCCN(C(=O)COC1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000429104292 201067696 /nfs/dbraw/zinc/06/76/96/201067696.db2.gz FOAPUMFBYCENHT-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP CCCN(C(=O)COC1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000429104293 201069156 /nfs/dbraw/zinc/06/91/56/201069156.db2.gz FOAPUMFBYCENHT-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000429138763 201070083 /nfs/dbraw/zinc/07/00/83/201070083.db2.gz FTMCMBDMQAVBMO-GFCCVEGCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000429138765 201071221 /nfs/dbraw/zinc/07/12/21/201071221.db2.gz FTMCMBDMQAVBMO-LBPRGKRZSA-N 2 0 243.351 -0.146 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000429281146 201092832 /nfs/dbraw/zinc/09/28/32/201092832.db2.gz UHPPZFQMRHMAFO-GXSJLCMTSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)COC1C[NH2+]C1 ZINC000429281148 201090936 /nfs/dbraw/zinc/09/09/36/201090936.db2.gz UHPPZFQMRHMAFO-KOLCDFICSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000429281150 201092740 /nfs/dbraw/zinc/09/27/40/201092740.db2.gz UHPPZFQMRHMAFO-MWLCHTKSSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)COC1C[NH2+]C1 ZINC000429281152 201088452 /nfs/dbraw/zinc/08/84/52/201088452.db2.gz UHPPZFQMRHMAFO-ONGXEEELSA-N 2 0 241.335 -0.392 20 0 BBADRP CC[NH+]1CCN(CC(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000429322790 201102115 /nfs/dbraw/zinc/10/21/15/201102115.db2.gz OTCAZDINOZJWSS-LLVKDONJSA-N 2 0 242.367 -0.571 20 0 BBADRP CC[NH+]1CCN(CC(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000429322791 201099189 /nfs/dbraw/zinc/09/91/89/201099189.db2.gz OTCAZDINOZJWSS-NSHDSACASA-N 2 0 242.367 -0.571 20 0 BBADRP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000429389866 201106246 /nfs/dbraw/zinc/10/62/46/201106246.db2.gz RZHUJKRSHHYNDN-DTORHVGOSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000429389867 201107370 /nfs/dbraw/zinc/10/73/70/201107370.db2.gz RZHUJKRSHHYNDN-IUCAKERBSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000429389868 201107271 /nfs/dbraw/zinc/10/72/71/201107271.db2.gz RZHUJKRSHHYNDN-RKDXNWHRSA-N 2 0 227.308 -0.816 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)COC1C[NH2+]C1 ZINC000429550940 201115153 /nfs/dbraw/zinc/11/51/53/201115153.db2.gz SXUZDDYQQCHZNT-LLVKDONJSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)COC1C[NH2+]C1 ZINC000429550941 201114900 /nfs/dbraw/zinc/11/49/00/201114900.db2.gz SXUZDDYQQCHZNT-NSHDSACASA-N 2 0 243.351 -0.193 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000429623394 201124071 /nfs/dbraw/zinc/12/40/71/201124071.db2.gz ZSXSJUWCNJOGGV-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000429623395 201124444 /nfs/dbraw/zinc/12/44/44/201124444.db2.gz ZSXSJUWCNJOGGV-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)COC1C[NH2+]C1 ZINC000429643980 201124955 /nfs/dbraw/zinc/12/49/55/201124955.db2.gz GITPPGVLLSDKCH-UHFFFAOYSA-N 2 0 229.324 -0.392 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@](C)(CN)C1CC1 ZINC000430593527 387630925 /nfs/dbraw/zinc/63/09/25/387630925.db2.gz OZXUEUXQVMYEFQ-JTQLQIEISA-N 2 0 249.380 -0.357 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@](C)(CN)C1CC1 ZINC000430593530 387631741 /nfs/dbraw/zinc/63/17/41/387631741.db2.gz OZXUEUXQVMYEFQ-SNVBAGLBSA-N 2 0 249.380 -0.357 20 0 BBADRP CN(C)S(=O)(=O)CCCN1CCC([NH3+])CC1 ZINC000430593937 387630134 /nfs/dbraw/zinc/63/01/34/387630134.db2.gz PYWIOKGRWJNEGQ-UHFFFAOYSA-N 2 0 249.380 -0.309 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430601677 387633109 /nfs/dbraw/zinc/63/31/09/387633109.db2.gz FAIMMKGRORUFIS-JTQLQIEISA-N 2 0 249.380 -0.404 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430601679 387632180 /nfs/dbraw/zinc/63/21/80/387632180.db2.gz FAIMMKGRORUFIS-SNVBAGLBSA-N 2 0 249.380 -0.404 20 0 BBADRP [NH3+]C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000430616674 387633815 /nfs/dbraw/zinc/63/38/15/387633815.db2.gz GVPZXFRIYGEDTO-UHFFFAOYSA-N 2 0 241.335 -0.342 20 0 BBADRP CCOCCNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430638555 387634789 /nfs/dbraw/zinc/63/47/89/387634789.db2.gz FUHKLFDWZHPJLV-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CNS(=O)(=O)CCC[NH+]1CCC(C[NH3+])CC1 ZINC000430642098 387635237 /nfs/dbraw/zinc/63/52/37/387635237.db2.gz USSGVOCGPWRXKZ-UHFFFAOYSA-N 2 0 249.380 -0.404 20 0 BBADRP CCS(=O)(=O)NCC[NH+]1CCC(C[NH3+])CC1 ZINC000430658648 387637489 /nfs/dbraw/zinc/63/74/89/387637489.db2.gz YBUPKQNGFBWATI-UHFFFAOYSA-N 2 0 249.380 -0.404 20 0 BBADRP C[NH+](C)CCCCNC(=O)COC1C[NH2+]C1 ZINC000430676808 387637923 /nfs/dbraw/zinc/63/79/23/387637923.db2.gz DWXPXWJAPGMPOS-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000430677262 387637572 /nfs/dbraw/zinc/63/75/72/387637572.db2.gz GAWZBCLBVCFLCI-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000430677263 387638958 /nfs/dbraw/zinc/63/89/58/387638958.db2.gz GAWZBCLBVCFLCI-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH+](C)[C@]1(CNC(=O)CC[NH3+])CCSC1 ZINC000430685804 387639073 /nfs/dbraw/zinc/63/90/73/387639073.db2.gz JUSCRYJKIRXTRJ-JTQLQIEISA-N 2 0 231.365 -0.111 20 0 BBADRP C[NH+](C)[C@@]1(CNC(=O)CC[NH3+])CCSC1 ZINC000430685805 387638035 /nfs/dbraw/zinc/63/80/35/387638035.db2.gz JUSCRYJKIRXTRJ-SNVBAGLBSA-N 2 0 231.365 -0.111 20 0 BBADRP C[NH+](C)[C@H](CNC(=O)COC1C[NH2+]C1)C1CC1 ZINC000430692207 387640017 /nfs/dbraw/zinc/64/00/17/387640017.db2.gz QTSYYHOZZYDACM-LLVKDONJSA-N 2 0 241.335 -0.569 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)COC1C[NH2+]C1)C1CC1 ZINC000430692208 387640854 /nfs/dbraw/zinc/64/08/54/387640854.db2.gz QTSYYHOZZYDACM-NSHDSACASA-N 2 0 241.335 -0.569 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)COC2C[NH2+]C2)CC[N@@H+]1C ZINC000430701163 387640185 /nfs/dbraw/zinc/64/01/85/387640185.db2.gz UXHBLOJFPAOMKM-NXEZZACHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)CC[N@@H+]1C ZINC000430701164 387639747 /nfs/dbraw/zinc/63/97/47/387639747.db2.gz UXHBLOJFPAOMKM-UWVGGRQHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1C[C@H](NC(=O)COC2C[NH2+]C2)CC[N@@H+]1C ZINC000430701165 387640200 /nfs/dbraw/zinc/64/02/00/387640200.db2.gz UXHBLOJFPAOMKM-VHSXEESVSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)CC[N@@H+]1C ZINC000430701166 387640346 /nfs/dbraw/zinc/64/03/46/387640346.db2.gz UXHBLOJFPAOMKM-ZJUUUORDSA-N 2 0 241.335 -0.426 20 0 BBADRP C[NH2+]CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000430701367 387640262 /nfs/dbraw/zinc/64/02/62/387640262.db2.gz VGFJWTMYOTWXBV-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CC(=O)NCCCC[NH+]1CCOCC1 ZINC000430703004 387642594 /nfs/dbraw/zinc/64/25/94/387642594.db2.gz SDBHIZVNCBBDGR-UHFFFAOYSA-N 2 0 229.324 -0.566 20 0 BBADRP C[NH+](C)C1(CNC(=O)CCC[NH3+])CCOCC1 ZINC000430709625 387642539 /nfs/dbraw/zinc/64/25/39/387642539.db2.gz YJSJSKGFYVCMLF-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000430713308 387642811 /nfs/dbraw/zinc/64/28/11/387642811.db2.gz HBLGXXJOXGDGHT-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP [NH3+]CCCC(=O)NCCCC[NH+]1CCOCC1 ZINC000430713483 387642043 /nfs/dbraw/zinc/64/20/43/387642043.db2.gz HUIPMZZDMQIZPQ-UHFFFAOYSA-N 2 0 243.351 -0.046 20 0 BBADRP [NH3+]CCC(=O)NCCCC[NH+]1CCOCC1 ZINC000430713735 387642453 /nfs/dbraw/zinc/64/24/53/387642453.db2.gz IJOBYUMRDJCPAW-UHFFFAOYSA-N 2 0 229.324 -0.436 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000430713986 387643210 /nfs/dbraw/zinc/64/32/10/387643210.db2.gz MCZINTXPXYHBNP-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000430713987 387642752 /nfs/dbraw/zinc/64/27/52/387642752.db2.gz MCZINTXPXYHBNP-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000430719579 387644589 /nfs/dbraw/zinc/64/45/89/387644589.db2.gz KCAGQQBDKGCJAK-JTQLQIEISA-N 2 0 239.319 -0.719 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000430719581 387644229 /nfs/dbraw/zinc/64/42/29/387644229.db2.gz KCAGQQBDKGCJAK-SNVBAGLBSA-N 2 0 239.319 -0.719 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH3+])C1 ZINC000430719880 387645511 /nfs/dbraw/zinc/64/55/11/387645511.db2.gz LCSNMWCOZYNEHC-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH3+])C1 ZINC000430719882 387645351 /nfs/dbraw/zinc/64/53/51/387645351.db2.gz LCSNMWCOZYNEHC-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)CCC[NH3+])C1 ZINC000430724825 387644088 /nfs/dbraw/zinc/64/40/88/387644088.db2.gz WBHVSPHDXBVZFT-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000430724833 387645453 /nfs/dbraw/zinc/64/54/53/387645453.db2.gz WBHVSPHDXBVZFT-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP COC1CC[NH+](C(C)(C)CNC(=O)C[NH3+])CC1 ZINC000430725708 387645329 /nfs/dbraw/zinc/64/53/29/387645329.db2.gz UEXIMKKLIZHQMI-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP [NH3+]CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430725942 387644458 /nfs/dbraw/zinc/64/44/58/387644458.db2.gz YUQWTBFWMHITJP-UHFFFAOYSA-N 2 0 241.335 -0.294 20 0 BBADRP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000430726422 387644141 /nfs/dbraw/zinc/64/41/41/387644141.db2.gz VUSHBKVEQXVPMJ-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000430726423 387644374 /nfs/dbraw/zinc/64/43/74/387644374.db2.gz VUSHBKVEQXVPMJ-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000430730429 387645369 /nfs/dbraw/zinc/64/53/69/387645369.db2.gz JEBFNCIAODSTAS-GHMZBOCLSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000430730430 387644668 /nfs/dbraw/zinc/64/46/68/387644668.db2.gz JEBFNCIAODSTAS-MNOVXSKESA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000430730431 387645193 /nfs/dbraw/zinc/64/51/93/387645193.db2.gz JEBFNCIAODSTAS-QWRGUYRKSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000430730432 387644250 /nfs/dbraw/zinc/64/42/50/387644250.db2.gz JEBFNCIAODSTAS-WDEREUQCSA-N 2 0 243.351 -0.321 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000430735416 387646826 /nfs/dbraw/zinc/64/68/26/387646826.db2.gz YYUKLEMOQQOYKL-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000430735417 387647543 /nfs/dbraw/zinc/64/75/43/387647543.db2.gz YYUKLEMOQQOYKL-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH+](C)C1(CNC(=O)C(C)(C)[NH3+])CCOCC1 ZINC000430736200 387647734 /nfs/dbraw/zinc/64/77/34/387647734.db2.gz CKKPPYZWJHOHBO-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP CC(C)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430739811 387647794 /nfs/dbraw/zinc/64/77/94/387647794.db2.gz AJWLXBGUEYPTRA-UHFFFAOYSA-N 2 0 241.335 -0.473 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430750088 398229908 /nfs/dbraw/zinc/22/99/08/398229908.db2.gz AYARLDJIGKFNMA-NSHDSACASA-N 2 0 243.351 -0.313 20 0 BBADRP C[NH+](C)C1CCN(CCNC(=O)CC[NH3+])CC1 ZINC000430772171 387649324 /nfs/dbraw/zinc/64/93/24/387649324.db2.gz KDWHQIUHHXVUKM-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP C[C@H]([NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430772956 387649088 /nfs/dbraw/zinc/64/90/88/387649088.db2.gz PACWDGZZPGLCMX-JTQLQIEISA-N 2 0 242.367 -0.524 20 0 BBADRP C[NH2+]CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430776059 387650059 /nfs/dbraw/zinc/65/00/59/387650059.db2.gz IGIFWMGTSTUJAL-UHFFFAOYSA-N 2 0 242.367 -0.652 20 0 BBADRP C[C@@H]([NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430778168 387649206 /nfs/dbraw/zinc/64/92/06/387649206.db2.gz PACWDGZZPGLCMX-SNVBAGLBSA-N 2 0 242.367 -0.524 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)COC1C[NH2+]C1 ZINC000430809930 387653345 /nfs/dbraw/zinc/65/33/45/387653345.db2.gz SDVWUKPSBLSXTI-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCC[N@H+](C)CCCOC ZINC000430817334 387654899 /nfs/dbraw/zinc/65/48/99/387654899.db2.gz RVZRTTGKHQRJPJ-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP [NH3+]CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000430818832 387653600 /nfs/dbraw/zinc/65/36/00/387653600.db2.gz FFEJZLKZSNJJPC-JTQLQIEISA-N 2 0 211.309 -0.111 20 0 BBADRP [NH3+]CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000430818833 387654410 /nfs/dbraw/zinc/65/44/10/387654410.db2.gz FFEJZLKZSNJJPC-SNVBAGLBSA-N 2 0 211.309 -0.111 20 0 BBADRP C[NH+]1CCC(NC(=O)COC2C[NH2+]C2)CC1 ZINC000430819259 387654361 /nfs/dbraw/zinc/65/43/61/387654361.db2.gz FAHKFIRKJSUBDV-UHFFFAOYSA-N 2 0 227.308 -0.815 20 0 BBADRP O=C(COC1C[NH2+]C1)NCC[NH+]1CCCCC1 ZINC000430823697 192893741 /nfs/dbraw/zinc/89/37/41/192893741.db2.gz UPRGWVABSMQOHL-UHFFFAOYSA-N 2 0 241.335 -0.423 20 0 BBADRP O=C(COC1C[NH2+]C1)NCCC[NH+]1CCCC1 ZINC000430835243 398232336 /nfs/dbraw/zinc/23/23/36/398232336.db2.gz BYXZJHBNVKCDDY-UHFFFAOYSA-N 2 0 241.335 -0.423 20 0 BBADRP C[NH+](C)CCCNC(=O)COC1C[NH2+]C1 ZINC000430840135 398232760 /nfs/dbraw/zinc/23/27/60/398232760.db2.gz WIQGDGUBSPGPMC-UHFFFAOYSA-N 2 0 215.297 -0.957 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)COC1C[NH2+]C1 ZINC000430845852 398232844 /nfs/dbraw/zinc/23/28/44/398232844.db2.gz RQROUIMHXOHIPG-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)COC1C[NH2+]C1 ZINC000430845853 398232955 /nfs/dbraw/zinc/23/29/55/398232955.db2.gz RQROUIMHXOHIPG-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430871376 412291027 /nfs/dbraw/zinc/29/10/27/412291027.db2.gz XFUSCEGWRRYZLV-UHFFFAOYSA-N 2 0 225.296 -0.397 20 0 BBADRP C[NH+](C)CCn1ccc(NC(=O)C2([NH3+])CC2)n1 ZINC000430871916 412167743 /nfs/dbraw/zinc/16/77/43/412167743.db2.gz YMLLMOCORXFTIB-UHFFFAOYSA-N 2 0 237.307 -0.126 20 0 BBADRP C[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430872162 411820976 /nfs/dbraw/zinc/82/09/76/411820976.db2.gz ZYNVYIQTEFOBDA-MRVPVSSYSA-N 2 0 225.296 -0.270 20 0 BBADRP C[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430872163 412213104 /nfs/dbraw/zinc/21/31/04/412213104.db2.gz ZYNVYIQTEFOBDA-QMMMGPOBSA-N 2 0 225.296 -0.270 20 0 BBADRP C[C@@H]([NH3+])CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430873236 411823473 /nfs/dbraw/zinc/82/34/73/411823473.db2.gz QMIIJMKVIRVZSK-SECBINFHSA-N 2 0 239.323 0.121 20 0 BBADRP C[C@H]([NH3+])CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000430873237 410743871 /nfs/dbraw/zinc/74/38/71/410743871.db2.gz QMIIJMKVIRVZSK-VIFPVBQESA-N 2 0 239.323 0.121 20 0 BBADRP C[NH+](C)CCn1ccc(NC(=O)CC[NH3+])n1 ZINC000430875023 412167383 /nfs/dbraw/zinc/16/73/83/412167383.db2.gz KLNBPYWEXNTZLM-UHFFFAOYSA-N 2 0 225.296 -0.268 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430879961 387655826 /nfs/dbraw/zinc/65/58/26/387655826.db2.gz QMEJCMMOESOIRB-JTQLQIEISA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000430879962 387656022 /nfs/dbraw/zinc/65/60/22/387656022.db2.gz QMEJCMMOESOIRB-SNVBAGLBSA-N 2 0 241.335 -0.473 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000430883906 387658391 /nfs/dbraw/zinc/65/83/91/387658391.db2.gz FEMXNFPIEPEVFA-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000430883907 387658294 /nfs/dbraw/zinc/65/82/94/387658294.db2.gz FEMXNFPIEPEVFA-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[N@H+](CCNC(=O)COC1C[NH2+]C1)C(C)C ZINC000430900871 387659328 /nfs/dbraw/zinc/65/93/28/387659328.db2.gz RFMPZRVDEGVDNL-UHFFFAOYSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[N@H+](CCNC(=O)COC1C[NH2+]C1)C1CC1 ZINC000430905420 387658346 /nfs/dbraw/zinc/65/83/46/387658346.db2.gz DYZVIQACGGLTJY-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]CC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000430909420 206061790 /nfs/dbraw/zinc/06/17/90/206061790.db2.gz ALRROQRQVMWOSE-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000430909512 206062143 /nfs/dbraw/zinc/06/21/43/206062143.db2.gz OKZYFZIKDVTFDR-UHFFFAOYSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CNC(=O)COC1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000430909774 206061667 /nfs/dbraw/zinc/06/16/67/206061667.db2.gz BVYPDLRTBCTGCN-SECBINFHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H](CNC(=O)COC1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000430909775 206062725 /nfs/dbraw/zinc/06/27/25/206062725.db2.gz BVYPDLRTBCTGCN-VIFPVBQESA-N 2 0 241.335 -0.426 20 0 BBADRP COCCC[NH+]1CCC(NC(=O)CC[NH3+])CC1 ZINC000430915139 206062892 /nfs/dbraw/zinc/06/28/92/206062892.db2.gz OOWIMUWQZNRQFA-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[NH2+]CC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000430929799 387663660 /nfs/dbraw/zinc/66/36/60/387663660.db2.gz QQYKYIVENGQSPB-UHFFFAOYSA-N 2 0 249.380 -0.533 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000430949270 201158618 /nfs/dbraw/zinc/15/86/18/201158618.db2.gz NCPYTXGDGISPSB-SECBINFHSA-N 2 0 249.380 -0.405 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000430949271 201158967 /nfs/dbraw/zinc/15/89/67/201158967.db2.gz NCPYTXGDGISPSB-VIFPVBQESA-N 2 0 249.380 -0.405 20 0 BBADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430950525 387069862 /nfs/dbraw/zinc/06/98/62/387069862.db2.gz RQGKGYXDWGOKDV-LLVKDONJSA-N 2 0 241.335 -0.484 20 0 BBADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000430950529 387070605 /nfs/dbraw/zinc/07/06/05/387070605.db2.gz RQGKGYXDWGOKDV-NSHDSACASA-N 2 0 241.335 -0.484 20 0 BBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430964503 387664733 /nfs/dbraw/zinc/66/47/33/387664733.db2.gz FGYAQVZDMQIOSV-JTQLQIEISA-N 2 0 249.380 -0.452 20 0 BBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430964504 387666625 /nfs/dbraw/zinc/66/66/25/387666625.db2.gz FGYAQVZDMQIOSV-SNVBAGLBSA-N 2 0 249.380 -0.452 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCN1CC[NH+](CC)CC1 ZINC000430998948 192029856 /nfs/dbraw/zinc/02/98/56/192029856.db2.gz AEAUBBUBOMADIY-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)CCC[NH3+])CC1 ZINC000431001326 387668810 /nfs/dbraw/zinc/66/88/10/387668810.db2.gz IWQKLEBWMBRVBR-UHFFFAOYSA-N 2 0 242.367 -0.521 20 0 BBADRP [NH3+]CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431005776 387671393 /nfs/dbraw/zinc/67/13/93/387671393.db2.gz NZKXWAQZURNOPX-LLVKDONJSA-N 2 0 241.335 -0.484 20 0 BBADRP [NH3+]CCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000431005777 387671440 /nfs/dbraw/zinc/67/14/40/387671440.db2.gz NZKXWAQZURNOPX-NSHDSACASA-N 2 0 241.335 -0.484 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000431006366 387671562 /nfs/dbraw/zinc/67/15/62/387671562.db2.gz YIUXCFXPCYFSIA-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)C[C@H](C)[NH3+])CC1 ZINC000431006367 192901040 /nfs/dbraw/zinc/90/10/40/192901040.db2.gz YIUXCFXPCYFSIA-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP [NH3+]CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000431006488 387670918 /nfs/dbraw/zinc/67/09/18/387670918.db2.gz RQUVTQLDQMDAPK-JTQLQIEISA-N 2 0 227.308 -0.874 20 0 BBADRP [NH3+]CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431006489 387670943 /nfs/dbraw/zinc/67/09/43/387670943.db2.gz RQUVTQLDQMDAPK-SNVBAGLBSA-N 2 0 227.308 -0.874 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[NH3+] ZINC000431023772 387671059 /nfs/dbraw/zinc/67/10/59/387671059.db2.gz IVUYTJHCOMUTNX-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[NH3+] ZINC000431023775 387671185 /nfs/dbraw/zinc/67/11/85/387671185.db2.gz IVUYTJHCOMUTNX-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[NH3+] ZINC000431023776 387669786 /nfs/dbraw/zinc/66/97/86/387669786.db2.gz IVUYTJHCOMUTNX-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[NH3+] ZINC000431023779 387671574 /nfs/dbraw/zinc/67/15/74/387671574.db2.gz IVUYTJHCOMUTNX-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C[NH3+])CC1 ZINC000431024094 387671450 /nfs/dbraw/zinc/67/14/50/387671450.db2.gz OADWVVOYGBXEAU-LLVKDONJSA-N 2 0 242.367 -0.665 20 0 BBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C[NH3+])CC1 ZINC000431024101 387669708 /nfs/dbraw/zinc/66/97/08/387669708.db2.gz OADWVVOYGBXEAU-NSHDSACASA-N 2 0 242.367 -0.665 20 0 BBADRP CC(C)OCC[NH+]1CCC(NC(=O)C[NH3+])CC1 ZINC000431025466 387671255 /nfs/dbraw/zinc/67/12/55/387671255.db2.gz OQGVBGWHVQGELP-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431027367 387669656 /nfs/dbraw/zinc/66/96/56/387669656.db2.gz JAUHLNHKHHVKLA-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[NH2+]C)CC1 ZINC000431027368 387671040 /nfs/dbraw/zinc/67/10/40/387671040.db2.gz JAUHLNHKHHVKLA-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000431028813 387671365 /nfs/dbraw/zinc/67/13/65/387671365.db2.gz UWCBTVRBTNMFDZ-GHMZBOCLSA-N 2 0 242.367 -0.524 20 0 BBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)[NH3+])CC1 ZINC000431028814 387669472 /nfs/dbraw/zinc/66/94/72/387669472.db2.gz UWCBTVRBTNMFDZ-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)[NH3+])CC1 ZINC000431028815 387670996 /nfs/dbraw/zinc/67/09/96/387670996.db2.gz UWCBTVRBTNMFDZ-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000431028816 387670829 /nfs/dbraw/zinc/67/08/29/387670829.db2.gz UWCBTVRBTNMFDZ-WDEREUQCSA-N 2 0 242.367 -0.524 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000431029163 387669494 /nfs/dbraw/zinc/66/94/94/387669494.db2.gz YUXPCMMKAOCPQZ-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431029164 387671514 /nfs/dbraw/zinc/67/15/14/387671514.db2.gz YUXPCMMKAOCPQZ-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP CC[NH+]1CCN([C@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431031376 387670138 /nfs/dbraw/zinc/67/01/38/387670138.db2.gz YRSOCIZHRGFGIW-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CC[NH3+])CC1 ZINC000431031377 387671529 /nfs/dbraw/zinc/67/15/29/387671529.db2.gz YRSOCIZHRGFGIW-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CN(C)CC[NH+]1CCC(CNC(=O)C[NH3+])CC1 ZINC000431034328 387673306 /nfs/dbraw/zinc/67/33/06/387673306.db2.gz WBZOAAHFWDBBKX-UHFFFAOYSA-N 2 0 242.367 -0.665 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)COC1C[NH2+]C1 ZINC000431035212 192902338 /nfs/dbraw/zinc/90/23/38/192902338.db2.gz RCQBARWBQSWONM-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)COC1C[NH2+]C1 ZINC000431035213 387670073 /nfs/dbraw/zinc/67/00/73/387670073.db2.gz RCQBARWBQSWONM-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)COC1C[NH2+]C1 ZINC000431044688 387672425 /nfs/dbraw/zinc/67/24/25/387672425.db2.gz KFHCEZUPBBYGDP-SECBINFHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)COC1C[NH2+]C1 ZINC000431044689 387673222 /nfs/dbraw/zinc/67/32/22/387673222.db2.gz KFHCEZUPBBYGDP-VIFPVBQESA-N 2 0 229.324 -0.569 20 0 BBADRP C[N@H+](CCNC(=O)COC1C[NH2+]C1)C1CC1 ZINC000431045016 387673533 /nfs/dbraw/zinc/67/35/33/387673533.db2.gz ZVLYFVBWBJAZJQ-UHFFFAOYSA-N 2 0 227.308 -0.815 20 0 BBADRP COCC[NH+]1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000431050419 387672240 /nfs/dbraw/zinc/67/22/40/387672240.db2.gz UDQJKJJFLKCCDY-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)COC1C[NH2+]C1 ZINC000431052615 387672550 /nfs/dbraw/zinc/67/25/50/387672550.db2.gz YRQHNMYVBZFLHD-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)COC1C[NH2+]C1 ZINC000431052616 387673553 /nfs/dbraw/zinc/67/35/53/387673553.db2.gz YRQHNMYVBZFLHD-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[NH+](C)C ZINC000431055431 387673280 /nfs/dbraw/zinc/67/32/80/387673280.db2.gz IBSPJPRMPSOIKF-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[NH+](C)C ZINC000431055432 387672829 /nfs/dbraw/zinc/67/28/29/387672829.db2.gz IBSPJPRMPSOIKF-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[NH+](C)C ZINC000431055433 387672523 /nfs/dbraw/zinc/67/25/23/387672523.db2.gz IBSPJPRMPSOIKF-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[NH+](C)C ZINC000431055434 387672172 /nfs/dbraw/zinc/67/21/72/387672172.db2.gz IBSPJPRMPSOIKF-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP COCC[NH+]1CCC(NC(=O)CCC[NH3+])CC1 ZINC000431057004 387672892 /nfs/dbraw/zinc/67/28/92/387672892.db2.gz MUNBWUGAYQBDNJ-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC1CC[NH+](CCOC)CC1 ZINC000431058212 387672714 /nfs/dbraw/zinc/67/27/14/387672714.db2.gz RMJQCHCGKFKJSO-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP CC[N@@H+]1CCC[C@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000431066082 387676083 /nfs/dbraw/zinc/67/60/83/387676083.db2.gz QVZRWQOAEOHTIB-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@@H+]1CCC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000431066083 387675619 /nfs/dbraw/zinc/67/56/19/387675619.db2.gz QVZRWQOAEOHTIB-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[N@H+](C)CCNC(=O)COC1C[NH2+]C1 ZINC000431067433 387676243 /nfs/dbraw/zinc/67/62/43/387676243.db2.gz WKNLKGAIJLBPRD-UHFFFAOYSA-N 2 0 215.297 -0.957 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000432524275 398238398 /nfs/dbraw/zinc/23/83/98/398238398.db2.gz BWJQFHVRZXKLKS-IVZWLZJFSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000432524276 398238457 /nfs/dbraw/zinc/23/84/57/398238457.db2.gz BWJQFHVRZXKLKS-KXUCPTDWSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000432524277 398238726 /nfs/dbraw/zinc/23/87/26/398238726.db2.gz BWJQFHVRZXKLKS-LPEHRKFASA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000432524278 398238650 /nfs/dbraw/zinc/23/86/50/398238650.db2.gz BWJQFHVRZXKLKS-OPRDCNLKSA-N 2 0 227.308 -0.911 20 0 BBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432524516 398238438 /nfs/dbraw/zinc/23/84/38/398238438.db2.gz CPLACDYLIFCCHG-INTQDDNPSA-N 2 0 239.319 -0.938 20 0 BBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000432527542 387799598 /nfs/dbraw/zinc/79/95/98/387799598.db2.gz RCZFMOCBPZKDKE-GARJFASQSA-N 2 0 239.319 -0.984 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC1 ZINC000432541957 387799220 /nfs/dbraw/zinc/79/92/20/387799220.db2.gz QKIJPDBPFIJGCQ-AXFHLTTASA-N 2 0 241.335 -0.834 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)CCOC2C[NH2+]C2)[C@@H]1C ZINC000434669431 201232700 /nfs/dbraw/zinc/23/27/00/201232700.db2.gz JABLHVFHNKSJCG-NXEZZACHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)CCOC2C[NH2+]C2)[C@H]1C ZINC000434669432 201232725 /nfs/dbraw/zinc/23/27/25/201232725.db2.gz JABLHVFHNKSJCG-UWVGGRQHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCOC1C[NH2+]C1 ZINC000434669433 201232787 /nfs/dbraw/zinc/23/27/87/201232787.db2.gz JABLHVFHNKSJCG-VHSXEESVSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)CCOC2C[NH2+]C2)[C@H]1C ZINC000434669434 201232179 /nfs/dbraw/zinc/23/21/79/201232179.db2.gz JABLHVFHNKSJCG-ZJUUUORDSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NCCN1CCOC[C@H]1C ZINC000434674764 201232201 /nfs/dbraw/zinc/23/22/01/201232201.db2.gz JPHPJBADRYRXCP-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NCCN1CCOC[C@@H]1C ZINC000434674765 201232365 /nfs/dbraw/zinc/23/23/65/201232365.db2.gz JPHPJBADRYRXCP-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NCCN1CCOC[C@@H]1C ZINC000434674766 201231004 /nfs/dbraw/zinc/23/10/04/201231004.db2.gz JPHPJBADRYRXCP-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NCCN1CCOC[C@H]1C ZINC000434674767 201232167 /nfs/dbraw/zinc/23/21/67/201232167.db2.gz JPHPJBADRYRXCP-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CC1(NC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000434675190 201232001 /nfs/dbraw/zinc/23/20/01/201232001.db2.gz KBOCUDWVYPNJQG-SECBINFHSA-N 2 0 227.308 -0.767 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000434684035 201233525 /nfs/dbraw/zinc/23/35/25/201233525.db2.gz GTVGKOAJMNXJMI-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000434684036 201233776 /nfs/dbraw/zinc/23/37/76/201233776.db2.gz GTVGKOAJMNXJMI-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000434684037 201234091 /nfs/dbraw/zinc/23/40/91/201234091.db2.gz GTVGKOAJMNXJMI-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000434684038 201233697 /nfs/dbraw/zinc/23/36/97/201233697.db2.gz GTVGKOAJMNXJMI-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000434701424 201235139 /nfs/dbraw/zinc/23/51/39/201235139.db2.gz ZZTJOUAALJUNOR-NXEZZACHSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000434701426 201233104 /nfs/dbraw/zinc/23/31/04/201233104.db2.gz ZZTJOUAALJUNOR-VHSXEESVSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000434701427 201233936 /nfs/dbraw/zinc/23/39/36/201233936.db2.gz ZZTJOUAALJUNOR-ZJUUUORDSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000434703866 201237717 /nfs/dbraw/zinc/23/77/17/201237717.db2.gz VZGQZOCIKAEBRK-GXSJLCMTSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000434703867 201235631 /nfs/dbraw/zinc/23/56/31/201235631.db2.gz VZGQZOCIKAEBRK-KOLCDFICSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000434703868 201236253 /nfs/dbraw/zinc/23/62/53/201236253.db2.gz VZGQZOCIKAEBRK-MWLCHTKSSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)COC2C[NH2+]C2)[C@H]1C ZINC000434709322 201237063 /nfs/dbraw/zinc/23/70/63/201237063.db2.gz GDLGUWMIOLQNHT-BDAKNGLRSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)COC1C[NH2+]C1 ZINC000434709323 201236592 /nfs/dbraw/zinc/23/65/92/201236592.db2.gz GDLGUWMIOLQNHT-DTWKUNHWSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)COC2C[NH2+]C2)[C@H]1C ZINC000434709324 201236986 /nfs/dbraw/zinc/23/69/86/201236986.db2.gz GDLGUWMIOLQNHT-IUCAKERBSA-N 2 0 227.308 -0.816 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)COC2C[NH2+]C2)[C@@H]1C ZINC000434709325 201235716 /nfs/dbraw/zinc/23/57/16/201235716.db2.gz GDLGUWMIOLQNHT-RKDXNWHRSA-N 2 0 227.308 -0.816 20 0 BBADRP CN(CCNS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000435609979 201278909 /nfs/dbraw/zinc/27/89/09/201278909.db2.gz DSUOVHNDIRNKIH-JTQLQIEISA-N 2 0 249.380 -0.391 20 0 BBADRP CN(CCNS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000435609980 201279630 /nfs/dbraw/zinc/27/96/30/201279630.db2.gz DSUOVHNDIRNKIH-SNVBAGLBSA-N 2 0 249.380 -0.391 20 0 BBADRP C[NH2+]CCCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000435872688 201291827 /nfs/dbraw/zinc/29/18/27/201291827.db2.gz PXKWXVIQWHKWEG-NEPJUHHUSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]CCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000435872689 201292603 /nfs/dbraw/zinc/29/26/03/201292603.db2.gz PXKWXVIQWHKWEG-NWDGAFQWSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]CCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000435872690 201291467 /nfs/dbraw/zinc/29/14/67/201291467.db2.gz PXKWXVIQWHKWEG-RYUDHWBXSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]CCCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000435872691 201293715 /nfs/dbraw/zinc/29/37/15/201293715.db2.gz PXKWXVIQWHKWEG-VXGBXAGGSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]CCCN1CC[NH+](CCOC)CC1 ZINC000435876951 201292329 /nfs/dbraw/zinc/29/23/29/201292329.db2.gz MBIRSJDDXHZVFG-UHFFFAOYSA-N 2 0 215.341 -0.140 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435905073 201297292 /nfs/dbraw/zinc/29/72/92/201297292.db2.gz CBVYKNZNZORXTC-CKYFFXLPSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435905074 201298267 /nfs/dbraw/zinc/29/82/67/201298267.db2.gz CBVYKNZNZORXTC-JFGNBEQYSA-N 2 0 223.320 -0.146 20 0 BBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1CC[NH3+] ZINC000436054171 201307770 /nfs/dbraw/zinc/30/77/70/201307770.db2.gz HCTMQXYEJJHLMA-JTQLQIEISA-N 2 0 228.340 -0.735 20 0 BBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1CC[NH3+] ZINC000436054173 201309487 /nfs/dbraw/zinc/30/94/87/201309487.db2.gz HCTMQXYEJJHLMA-SNVBAGLBSA-N 2 0 228.340 -0.735 20 0 BBADRP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436062734 201309058 /nfs/dbraw/zinc/30/90/58/201309058.db2.gz WUTIYLQDBYVZDJ-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP COCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062735 201309221 /nfs/dbraw/zinc/30/92/21/201309221.db2.gz WUTIYLQDBYVZDJ-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[NH2+]CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000440571766 388055363 /nfs/dbraw/zinc/05/53/63/388055363.db2.gz NUNDWDRLSXNZQP-UHFFFAOYSA-N 2 0 242.367 -0.698 20 0 BBADRP CC[NH+]1CCN(CC(=O)NC[C@H](C)C[NH3+])CC1 ZINC000441616587 387772812 /nfs/dbraw/zinc/77/28/12/387772812.db2.gz BVSOTUSUNOPNMQ-LLVKDONJSA-N 2 0 242.367 -0.665 20 0 BBADRP CC[NH+]1CCN(CC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000441616594 387772471 /nfs/dbraw/zinc/77/24/71/387772471.db2.gz BVSOTUSUNOPNMQ-NSHDSACASA-N 2 0 242.367 -0.665 20 0 BBADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000442593868 387808764 /nfs/dbraw/zinc/80/87/64/387808764.db2.gz BCHSVFWEFUCXPU-GHMZBOCLSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000442593869 387807562 /nfs/dbraw/zinc/80/75/62/387807562.db2.gz BCHSVFWEFUCXPU-WDEREUQCSA-N 2 0 241.335 -0.438 20 0 BBADRP COCC[N@@H+]1CCN(C[C@@H](C)[NH3+])C[C@H]1C ZINC000442653755 387814560 /nfs/dbraw/zinc/81/45/60/387814560.db2.gz AFKSDOAKWVZUBD-GHMZBOCLSA-N 2 0 215.341 -0.014 20 0 BBADRP COCC[N@@H+]1CCN(C[C@@H](C)[NH3+])C[C@@H]1C ZINC000442653758 387814109 /nfs/dbraw/zinc/81/41/09/387814109.db2.gz AFKSDOAKWVZUBD-MNOVXSKESA-N 2 0 215.341 -0.014 20 0 BBADRP COCC[N@@H+]1CCN(C[C@H](C)[NH3+])C[C@@H]1C ZINC000442653760 387812286 /nfs/dbraw/zinc/81/22/86/387812286.db2.gz AFKSDOAKWVZUBD-QWRGUYRKSA-N 2 0 215.341 -0.014 20 0 BBADRP COCC[N@@H+]1CCN(C[C@H](C)[NH3+])C[C@H]1C ZINC000442653762 387812933 /nfs/dbraw/zinc/81/29/33/387812933.db2.gz AFKSDOAKWVZUBD-WDEREUQCSA-N 2 0 215.341 -0.014 20 0 BBADRP CCOCC[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442660961 387817664 /nfs/dbraw/zinc/81/76/64/387817664.db2.gz DXQSKYMYDSDDQS-LLVKDONJSA-N 2 0 215.341 -0.012 20 0 BBADRP CCOCC[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442660962 387817549 /nfs/dbraw/zinc/81/75/49/387817549.db2.gz DXQSKYMYDSDDQS-NSHDSACASA-N 2 0 215.341 -0.012 20 0 BBADRP CCS(=O)(=O)NCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442769655 387837389 /nfs/dbraw/zinc/83/73/89/387837389.db2.gz WGPLZJKLDYFZSD-NXEZZACHSA-N 2 0 249.380 -0.405 20 0 BBADRP CCS(=O)(=O)NCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442769656 387837251 /nfs/dbraw/zinc/83/72/51/387837251.db2.gz WGPLZJKLDYFZSD-UWVGGRQHSA-N 2 0 249.380 -0.405 20 0 BBADRP CCS(=O)(=O)NCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442769657 387837505 /nfs/dbraw/zinc/83/75/05/387837505.db2.gz WGPLZJKLDYFZSD-VHSXEESVSA-N 2 0 249.380 -0.405 20 0 BBADRP CCS(=O)(=O)NCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000442769658 387836639 /nfs/dbraw/zinc/83/66/39/387836639.db2.gz WGPLZJKLDYFZSD-ZJUUUORDSA-N 2 0 249.380 -0.405 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442777694 387837867 /nfs/dbraw/zinc/83/78/67/387837867.db2.gz JPSVFVQARITNKX-NXEZZACHSA-N 2 0 249.380 -0.405 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442777696 387836783 /nfs/dbraw/zinc/83/67/83/387836783.db2.gz JPSVFVQARITNKX-UWVGGRQHSA-N 2 0 249.380 -0.405 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442777697 387836702 /nfs/dbraw/zinc/83/67/02/387836702.db2.gz JPSVFVQARITNKX-VHSXEESVSA-N 2 0 249.380 -0.405 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442777699 387836672 /nfs/dbraw/zinc/83/66/72/387836672.db2.gz JPSVFVQARITNKX-ZJUUUORDSA-N 2 0 249.380 -0.405 20 0 BBADRP C[NH+](C)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000442798582 387843967 /nfs/dbraw/zinc/84/39/67/387843967.db2.gz JGSPJIIHBPJNQL-LLVKDONJSA-N 2 0 243.351 -0.489 20 0 BBADRP C[NH+](C)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000442798584 387843885 /nfs/dbraw/zinc/84/38/85/387843885.db2.gz JGSPJIIHBPJNQL-NSHDSACASA-N 2 0 243.351 -0.489 20 0 BBADRP C[NH+](C)CC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000442810891 387846849 /nfs/dbraw/zinc/84/68/49/387846849.db2.gz NODVMVQIAKMFRI-UHFFFAOYSA-N 2 0 243.351 -0.489 20 0 BBADRP C[N@@H+]1CCN(CCNC(N)=[NH2+])CC1(C)C ZINC000443033720 193011193 /nfs/dbraw/zinc/01/11/93/193011193.db2.gz PAOVYGUJAZWHEJ-UHFFFAOYSA-N 2 0 213.329 -0.505 20 0 BBADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061688 193012819 /nfs/dbraw/zinc/01/28/19/193012819.db2.gz SEDYDVVQNMSAQP-JTQLQIEISA-N 2 0 249.380 -0.404 20 0 BBADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061689 193012371 /nfs/dbraw/zinc/01/23/71/193012371.db2.gz SEDYDVVQNMSAQP-SNVBAGLBSA-N 2 0 249.380 -0.404 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000444134852 193036517 /nfs/dbraw/zinc/03/65/17/193036517.db2.gz CCPRPGNUAAHFLR-GHMZBOCLSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000444134853 193035874 /nfs/dbraw/zinc/03/58/74/193035874.db2.gz CCPRPGNUAAHFLR-WDEREUQCSA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000444136632 191111975 /nfs/dbraw/zinc/11/19/75/191111975.db2.gz CQLHPIWDBRFQOK-GXSJLCMTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000444136633 191111694 /nfs/dbraw/zinc/11/16/94/191111694.db2.gz CQLHPIWDBRFQOK-MWLCHTKSSA-N 2 0 241.335 -0.439 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000444141211 193036807 /nfs/dbraw/zinc/03/68/07/193036807.db2.gz MTLKQAAWHJUDOJ-NXEZZACHSA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000444141212 193037025 /nfs/dbraw/zinc/03/70/25/193037025.db2.gz MTLKQAAWHJUDOJ-VHSXEESVSA-N 2 0 227.308 -0.909 20 0 BBADRP C[NH2+]CC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000444152290 193037943 /nfs/dbraw/zinc/03/79/43/193037943.db2.gz IVQQINWMJJFCFX-LLVKDONJSA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000444152787 193037928 /nfs/dbraw/zinc/03/79/28/193037928.db2.gz OZDNWGUSJDDXCR-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000444152788 193038799 /nfs/dbraw/zinc/03/87/99/193038799.db2.gz OZDNWGUSJDDXCR-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000444152789 193038093 /nfs/dbraw/zinc/03/80/93/193038093.db2.gz OZDNWGUSJDDXCR-HBNTYKKESA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000444152790 193038770 /nfs/dbraw/zinc/03/87/70/193038770.db2.gz OZDNWGUSJDDXCR-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000444156445 193038873 /nfs/dbraw/zinc/03/88/73/193038873.db2.gz BJBICEFFIRTUOS-GARJFASQSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000444156446 193038390 /nfs/dbraw/zinc/03/83/90/193038390.db2.gz BJBICEFFIRTUOS-GMTAPVOTSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000444156447 193038223 /nfs/dbraw/zinc/03/82/23/193038223.db2.gz BJBICEFFIRTUOS-HBNTYKKESA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000444156448 193038543 /nfs/dbraw/zinc/03/85/43/193038543.db2.gz BJBICEFFIRTUOS-OUAUKWLOSA-N 2 0 241.335 -0.521 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000444163849 193038032 /nfs/dbraw/zinc/03/80/32/193038032.db2.gz WBFJXNJDYGHCDN-NXEZZACHSA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000444163852 193038842 /nfs/dbraw/zinc/03/88/42/193038842.db2.gz WBFJXNJDYGHCDN-VHSXEESVSA-N 2 0 227.308 -0.909 20 0 BBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC[NH2+]2)n1 ZINC000444164938 412175754 /nfs/dbraw/zinc/17/57/54/412175754.db2.gz FBFDBJCYPQINOC-SECBINFHSA-N 2 0 237.307 -0.255 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444166338 193039682 /nfs/dbraw/zinc/03/96/82/193039682.db2.gz BCBVHMXUKACEDU-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444166339 193039984 /nfs/dbraw/zinc/03/99/84/193039984.db2.gz BCBVHMXUKACEDU-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP COCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444166422 193039393 /nfs/dbraw/zinc/03/93/93/193039393.db2.gz BZWDOGHFOUSWDV-LLVKDONJSA-N 2 0 241.335 -0.425 20 0 BBADRP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC[NH2+]1 ZINC000444168071 193039481 /nfs/dbraw/zinc/03/94/81/193039481.db2.gz GRDVYDRMZDHJBA-LLVKDONJSA-N 2 0 241.335 -0.423 20 0 BBADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[NH2+]2)CCOCC1 ZINC000444168204 193039780 /nfs/dbraw/zinc/03/97/80/193039780.db2.gz OVOPZPKQYJUNPZ-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[NH2+]1 ZINC000444169524 412366627 /nfs/dbraw/zinc/36/66/27/412366627.db2.gz KXVJERUCASWHTR-SNVBAGLBSA-N 2 0 243.270 0.568 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000444172861 193039568 /nfs/dbraw/zinc/03/95/68/193039568.db2.gz BILWTFGCHWHIPQ-GARJFASQSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000444172862 193039145 /nfs/dbraw/zinc/03/91/45/193039145.db2.gz BILWTFGCHWHIPQ-HBNTYKKESA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C ZINC000444176240 193040131 /nfs/dbraw/zinc/04/01/31/193040131.db2.gz OKTSOECUSCFFNO-IVZWLZJFSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C ZINC000444176241 193039556 /nfs/dbraw/zinc/03/95/56/193039556.db2.gz OKTSOECUSCFFNO-LPEHRKFASA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@@H]1COCCN1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444178263 193040671 /nfs/dbraw/zinc/04/06/71/193040671.db2.gz WMWFVMLWNCWJST-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1COCCN1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444178264 193039886 /nfs/dbraw/zinc/03/98/86/193039886.db2.gz WMWFVMLWNCWJST-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCOCC1 ZINC000444178320 193040612 /nfs/dbraw/zinc/04/06/12/193040612.db2.gz BZBIBPGFGQBMNY-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCOCC1 ZINC000444178321 193039301 /nfs/dbraw/zinc/03/93/01/193039301.db2.gz BZBIBPGFGQBMNY-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2CC[NH2+]2)CCSC1 ZINC000444179357 193039993 /nfs/dbraw/zinc/03/99/93/193039993.db2.gz CWQIYKHFYVAJFF-KOLCDFICSA-N 2 0 243.376 -0.098 20 0 BBADRP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CC[NH2+]2)CCSC1 ZINC000444179358 193040140 /nfs/dbraw/zinc/04/01/40/193040140.db2.gz CWQIYKHFYVAJFF-MWLCHTKSSA-N 2 0 243.376 -0.098 20 0 BBADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[NH2+]1)C1CC1 ZINC000444179985 193039747 /nfs/dbraw/zinc/03/97/47/193039747.db2.gz FAJPITOYRPRURJ-NXEZZACHSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[NH2+]1)C1CC1 ZINC000444179987 193039454 /nfs/dbraw/zinc/03/94/54/193039454.db2.gz FAJPITOYRPRURJ-ZJUUUORDSA-N 2 0 211.309 -0.195 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444182705 193040520 /nfs/dbraw/zinc/04/05/20/193040520.db2.gz LTNDZECXWFZUJN-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444191668 193041163 /nfs/dbraw/zinc/04/11/63/193041163.db2.gz XVGUFVZHZHKOCY-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444191670 193040173 /nfs/dbraw/zinc/04/01/73/193040173.db2.gz XVGUFVZHZHKOCY-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000444260592 193042482 /nfs/dbraw/zinc/04/24/82/193042482.db2.gz SQQOHCWJYHQPPZ-JTQLQIEISA-N 2 0 220.276 -0.039 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000444260593 193042072 /nfs/dbraw/zinc/04/20/72/193042072.db2.gz SQQOHCWJYHQPPZ-SNVBAGLBSA-N 2 0 220.276 -0.039 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000444263434 193043922 /nfs/dbraw/zinc/04/39/22/193043922.db2.gz ACDDVCIJOCACPM-GHMZBOCLSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000444263435 193042773 /nfs/dbraw/zinc/04/27/73/193042773.db2.gz ACDDVCIJOCACPM-WDEREUQCSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000444263518 193043828 /nfs/dbraw/zinc/04/38/28/193043828.db2.gz GTQKYFUMGQARAU-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@@H]12 ZINC000444264921 193043553 /nfs/dbraw/zinc/04/35/53/193043553.db2.gz DYGYJXRVAXJOPB-GWOFURMSSA-N 2 0 239.319 -0.830 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@H]12 ZINC000444264922 193044004 /nfs/dbraw/zinc/04/40/04/193044004.db2.gz DYGYJXRVAXJOPB-LMLFDSFASA-N 2 0 239.319 -0.830 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@@H]12 ZINC000444264923 193043280 /nfs/dbraw/zinc/04/32/80/193043280.db2.gz DYGYJXRVAXJOPB-LNFKQOIKSA-N 2 0 239.319 -0.830 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@H]12 ZINC000444264924 193043360 /nfs/dbraw/zinc/04/33/60/193043360.db2.gz DYGYJXRVAXJOPB-UKKRHICBSA-N 2 0 239.319 -0.830 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000444265891 193043469 /nfs/dbraw/zinc/04/34/69/193043469.db2.gz SBHZRCLMJXJISG-IVZWLZJFSA-N 2 0 227.308 -0.816 20 0 BBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[NH2+]1 ZINC000444267140 193043660 /nfs/dbraw/zinc/04/36/60/193043660.db2.gz PHULDHLCMBRUNJ-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[NH2+]1 ZINC000444267141 193043492 /nfs/dbraw/zinc/04/34/92/193043492.db2.gz PHULDHLCMBRUNJ-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@]1(CNC(=O)[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000444268661 193043163 /nfs/dbraw/zinc/04/31/63/193043163.db2.gz OFPOPULTMYUCDW-PWSUYJOCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(CNC(=O)[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000444268673 193044207 /nfs/dbraw/zinc/04/42/07/193044207.db2.gz OFPOPULTMYUCDW-ZYHUDNBSSA-N 2 0 241.335 -0.519 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444270326 193042657 /nfs/dbraw/zinc/04/26/57/193042657.db2.gz OSUIOFTUHBNTGT-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444270510 193043752 /nfs/dbraw/zinc/04/37/52/193043752.db2.gz VHNUJFHYSYUDEW-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000444271838 193044106 /nfs/dbraw/zinc/04/41/06/193044106.db2.gz UYSFETFSBJZXMQ-FBIMIBRVSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000444271839 193043081 /nfs/dbraw/zinc/04/30/81/193043081.db2.gz UYSFETFSBJZXMQ-GDPRMGEGSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000444271841 193043629 /nfs/dbraw/zinc/04/36/29/193043629.db2.gz UYSFETFSBJZXMQ-IEBDPFPHSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]1 ZINC000444271842 193044200 /nfs/dbraw/zinc/04/42/00/193044200.db2.gz UYSFETFSBJZXMQ-JMJZKYOTSA-N 2 0 223.320 -0.053 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](O)[C@H](O)C1 ZINC000444690837 387910332 /nfs/dbraw/zinc/91/03/32/387910332.db2.gz AWKSMWSXKHPDEU-GMTAPVOTSA-N 2 0 214.309 -0.492 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](O)[C@@H](O)C1 ZINC000444690838 387911619 /nfs/dbraw/zinc/91/16/19/387911619.db2.gz AWKSMWSXKHPDEU-MXWKQRLJSA-N 2 0 214.309 -0.492 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000446158749 388005034 /nfs/dbraw/zinc/00/50/34/388005034.db2.gz SVKSYHIPLDLRHW-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446267193 206090803 /nfs/dbraw/zinc/09/08/03/206090803.db2.gz PCONWRHDUFOPKB-WCBMZHEXSA-N 2 0 229.299 -0.103 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000446271277 206090574 /nfs/dbraw/zinc/09/05/74/206090574.db2.gz JTFSBXVFESKUBT-KXUCPTDWSA-N 2 0 229.299 -0.246 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000446271278 388009221 /nfs/dbraw/zinc/00/92/21/388009221.db2.gz JTFSBXVFESKUBT-LPEHRKFASA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+](C)C ZINC000446287401 388011930 /nfs/dbraw/zinc/01/19/30/388011930.db2.gz JEIUPBVABCXIHP-HRDYMLBCSA-N 2 0 217.288 -0.247 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+](C)C ZINC000446287402 388011946 /nfs/dbraw/zinc/01/19/46/388011946.db2.gz JEIUPBVABCXIHP-XHNCKOQMSA-N 2 0 217.288 -0.247 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000446373411 388017004 /nfs/dbraw/zinc/01/70/04/388017004.db2.gz SBHZRCLMJXJISG-AEJSXWLSSA-N 2 0 227.308 -0.816 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000446408528 398190533 /nfs/dbraw/zinc/19/05/33/398190533.db2.gz KZXYWKVMSKJORU-IVZWLZJFSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000446408529 398206042 /nfs/dbraw/zinc/20/60/42/398206042.db2.gz KZXYWKVMSKJORU-KXUCPTDWSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000446408530 201684129 /nfs/dbraw/zinc/68/41/29/201684129.db2.gz KZXYWKVMSKJORU-LPEHRKFASA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000446408531 398206233 /nfs/dbraw/zinc/20/62/33/398206233.db2.gz KZXYWKVMSKJORU-OPRDCNLKSA-N 2 0 227.308 -0.639 20 0 BBADRP O=C(COC1C[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446411713 388019496 /nfs/dbraw/zinc/01/94/96/388019496.db2.gz SBCYZFFSNMOLQP-AOOOYVTPSA-N 2 0 239.319 -0.672 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000447441674 388071690 /nfs/dbraw/zinc/07/16/90/388071690.db2.gz QKTQIQSAXZIILS-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000447441675 388071988 /nfs/dbraw/zinc/07/19/88/388071988.db2.gz QKTQIQSAXZIILS-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000447441676 388072149 /nfs/dbraw/zinc/07/21/49/388072149.db2.gz QKTQIQSAXZIILS-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000447441677 388072358 /nfs/dbraw/zinc/07/23/58/388072358.db2.gz QKTQIQSAXZIILS-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H](C[NH3+])OC ZINC000447443776 388072479 /nfs/dbraw/zinc/07/24/79/388072479.db2.gz UNKULSXLTSTWOV-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](C[NH3+])OC ZINC000447443777 388071982 /nfs/dbraw/zinc/07/19/82/388071982.db2.gz UNKULSXLTSTWOV-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H](C[NH3+])OC ZINC000447443778 388071653 /nfs/dbraw/zinc/07/16/53/388071653.db2.gz UNKULSXLTSTWOV-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H](C[NH3+])OC ZINC000447443779 388072253 /nfs/dbraw/zinc/07/22/53/388072253.db2.gz UNKULSXLTSTWOV-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000447513672 388074281 /nfs/dbraw/zinc/07/42/81/388074281.db2.gz YCBOIMQBBBEVNC-IVZWLZJFSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000447513673 201722382 /nfs/dbraw/zinc/72/23/82/201722382.db2.gz YCBOIMQBBBEVNC-KXUCPTDWSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000447513674 388074453 /nfs/dbraw/zinc/07/44/53/388074453.db2.gz YCBOIMQBBBEVNC-LPEHRKFASA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000447513675 388075058 /nfs/dbraw/zinc/07/50/58/388075058.db2.gz YCBOIMQBBBEVNC-OPRDCNLKSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000449402207 487907941 /nfs/dbraw/zinc/90/79/41/487907941.db2.gz PZEAZMVSTZHGMG-DBIOUOCHSA-N 2 0 225.336 -0.044 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000449402208 487908050 /nfs/dbraw/zinc/90/80/50/487908050.db2.gz PZEAZMVSTZHGMG-GWOFURMSSA-N 2 0 225.336 -0.044 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000449402209 487907741 /nfs/dbraw/zinc/90/77/41/487907741.db2.gz PZEAZMVSTZHGMG-LNFKQOIKSA-N 2 0 225.336 -0.044 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000449402210 487907994 /nfs/dbraw/zinc/90/79/94/487907994.db2.gz PZEAZMVSTZHGMG-ZDCRXTMVSA-N 2 0 225.336 -0.044 20 0 BBADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449563905 388233824 /nfs/dbraw/zinc/23/38/24/388233824.db2.gz ZMUBJRXPLHSDOZ-SPFKKGSWSA-N 2 0 211.309 -0.306 20 0 BBADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449571427 398338485 /nfs/dbraw/zinc/33/84/85/398338485.db2.gz LFBCNTIQZHQQGZ-GCHJQGSQSA-N 2 0 237.347 -0.046 20 0 BBADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449571428 205490812 /nfs/dbraw/zinc/49/08/12/205490812.db2.gz LFBCNTIQZHQQGZ-HHHUOAJASA-N 2 0 237.347 -0.046 20 0 BBADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449571429 398338483 /nfs/dbraw/zinc/33/84/83/398338483.db2.gz LFBCNTIQZHQQGZ-PREPNJAASA-N 2 0 237.347 -0.046 20 0 BBADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449571430 205491164 /nfs/dbraw/zinc/49/11/64/205491164.db2.gz LFBCNTIQZHQQGZ-ZIQFBCGOSA-N 2 0 237.347 -0.046 20 0 BBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449574704 388236663 /nfs/dbraw/zinc/23/66/63/388236663.db2.gz VUOBPYFMAHQQLI-JZYVYDRUSA-N 2 0 211.309 -0.338 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1c[nH+]ccc1N ZINC000449598160 206099261 /nfs/dbraw/zinc/09/92/61/206099261.db2.gz AZGTZSIMQHPNDR-BQBZGAKWSA-N 2 0 208.265 -0.040 20 0 BBADRP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@H](C)[NH3+] ZINC000449598162 388239301 /nfs/dbraw/zinc/23/93/01/388239301.db2.gz AZGTZSIMQHPNDR-NKWVEPMBSA-N 2 0 208.265 -0.040 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1c[nH+]ccc1N ZINC000449598163 388239651 /nfs/dbraw/zinc/23/96/51/388239651.db2.gz AZGTZSIMQHPNDR-RNFRBKRXSA-N 2 0 208.265 -0.040 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1c[nH+]ccc1N ZINC000449598164 206099126 /nfs/dbraw/zinc/09/91/26/206099126.db2.gz AZGTZSIMQHPNDR-RQJHMYQMSA-N 2 0 208.265 -0.040 20 0 BBADRP CN(C(=O)C[NH2+]CC1CC1)C1CC([NH3+])C1 ZINC000449628408 388245434 /nfs/dbraw/zinc/24/54/34/388245434.db2.gz ISLARZDIGBUGOW-UHFFFAOYSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)CCOC1C[NH2+]C1)C1CC([NH3+])C1 ZINC000449629034 388246282 /nfs/dbraw/zinc/24/62/82/388246282.db2.gz DTLCAVNVZKZFDZ-UHFFFAOYSA-N 2 0 227.308 -0.687 20 0 BBADRP CN(C(=O)CCOC1C[NH2+]C1)C1(C[NH3+])CCC1 ZINC000449688413 202002022 /nfs/dbraw/zinc/00/20/22/202002022.db2.gz UWJXOHQZXTWHCF-UHFFFAOYSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@H](CNC(=O)NCC[NH+]1CCC1)[NH+](C)C ZINC000459042593 203226819 /nfs/dbraw/zinc/22/68/19/203226819.db2.gz PJSUTZFUDJSTHC-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP C[NH+](C)CCNC(=O)NCCOCC[NH+](C)C ZINC000471648059 225067901 /nfs/dbraw/zinc/06/79/01/225067901.db2.gz KLTGSMSHDAOFMY-UHFFFAOYSA-N 2 0 246.355 -0.575 20 0 BBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000479272453 534643184 /nfs/dbraw/zinc/64/31/84/534643184.db2.gz RCZFMOCBPZKDKE-HBNTYKKESA-N 2 0 239.319 -0.984 20 0 BBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479277149 534809708 /nfs/dbraw/zinc/80/97/08/534809708.db2.gz CPLACDYLIFCCHG-JMJZKYOTSA-N 2 0 239.319 -0.938 20 0 BBADRP NC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000479313476 225179222 /nfs/dbraw/zinc/17/92/22/225179222.db2.gz VHDKBZADHGOXKI-SECBINFHSA-N 2 0 214.313 -0.294 20 0 BBADRP NC(=[NH2+])NCCCC[N@@H+]1CCC[C@H]1CO ZINC000479313481 225179845 /nfs/dbraw/zinc/17/98/45/225179845.db2.gz VHDKBZADHGOXKI-VIFPVBQESA-N 2 0 214.313 -0.294 20 0 BBADRP CN1CCO[C@H](CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491896239 388326707 /nfs/dbraw/zinc/32/67/07/388326707.db2.gz YVTAMXHUKWFYDN-DOGVGXBMSA-N 2 0 241.335 -0.449 20 0 BBADRP CN1CCO[C@@H](CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491896244 388326723 /nfs/dbraw/zinc/32/67/23/388326723.db2.gz YVTAMXHUKWFYDN-WYGGZMRJSA-N 2 0 241.335 -0.449 20 0 BBADRP C[NH+](C)C/C=C\C(=O)N1CCN(CCO)CC1 ZINC000492056859 388333191 /nfs/dbraw/zinc/33/31/91/388333191.db2.gz JMTPQNRHRYHEDD-ARJAWSKDSA-N 2 0 241.335 -0.759 20 0 BBADRP C[NH+](C)C/C=C/C(=O)NCC[NH+]1CCC1 ZINC000492192042 388337898 /nfs/dbraw/zinc/33/78/98/388337898.db2.gz XLGQSFWIUAFORO-HWKANZROSA-N 2 0 211.309 -0.074 20 0 BBADRP C[NH+](C)C/C=C\C(=O)NCC[NH+]1CCC1 ZINC000492192043 388338089 /nfs/dbraw/zinc/33/80/89/388338089.db2.gz XLGQSFWIUAFORO-HYXAFXHYSA-N 2 0 211.309 -0.074 20 0 BBADRP C[NH+](C)C/C=C\C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000492220824 388338413 /nfs/dbraw/zinc/33/84/13/388338413.db2.gz GCQSMGIBWXPZFD-DGMVEKRQSA-N 2 0 243.351 -0.467 20 0 BBADRP C[NH+](C)C/C=C\C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000492220827 388338425 /nfs/dbraw/zinc/33/84/25/388338425.db2.gz GCQSMGIBWXPZFD-ZHRWSRJISA-N 2 0 243.351 -0.467 20 0 BBADRP C[NH+](C)C/C=C\C(=O)N1CC([NH+](C)C)C1 ZINC000492339461 388342014 /nfs/dbraw/zinc/34/20/14/388342014.db2.gz CLWWCJHRHIYFDT-WAYWQWQTSA-N 2 0 211.309 -0.123 20 0 BBADRP C[NH+](C)C/C=C/C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000492578636 226021348 /nfs/dbraw/zinc/02/13/48/226021348.db2.gz FISSUMQLTMQIAV-ITKZLYELSA-N 2 0 241.335 -0.713 20 0 BBADRP C[NH+](C)C/C=C\C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000492578637 226021573 /nfs/dbraw/zinc/02/15/73/226021573.db2.gz FISSUMQLTMQIAV-QMAVJUDZSA-N 2 0 241.335 -0.713 20 0 BBADRP C[NH+](C)C/C=C\C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000492578638 226021123 /nfs/dbraw/zinc/02/11/23/226021123.db2.gz FISSUMQLTMQIAV-RXNFCKPNSA-N 2 0 241.335 -0.713 20 0 BBADRP C[NH+](C)C/C=C/C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000492578639 226021452 /nfs/dbraw/zinc/02/14/52/226021452.db2.gz FISSUMQLTMQIAV-ZYOFXKKJSA-N 2 0 241.335 -0.713 20 0 BBADRP CC[N@H+](CCO)CCNC(=O)/C=C\C[NH+](C)C ZINC000492597023 528530299 /nfs/dbraw/zinc/53/02/99/528530299.db2.gz QTXVWNPWYVCKKE-WAYWQWQTSA-N 2 0 243.351 -0.465 20 0 BBADRP C[NH+](C)C/C=C\C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000493328889 226187863 /nfs/dbraw/zinc/18/78/63/226187863.db2.gz XMJGKDZKFKRYOR-OBOPVNRVSA-N 2 0 241.335 -0.763 20 0 BBADRP C[NH+](C)C/C=C/C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000493328895 226187793 /nfs/dbraw/zinc/18/77/93/226187793.db2.gz XMJGKDZKFKRYOR-PZIAFJOJSA-N 2 0 241.335 -0.763 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000493992941 532983530 /nfs/dbraw/zinc/98/35/30/532983530.db2.gz RHMQHXVBOWQBJN-AXFHLTTASA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000493992942 532984067 /nfs/dbraw/zinc/98/40/67/532984067.db2.gz RHMQHXVBOWQBJN-DCAQKATOSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000493992943 532985485 /nfs/dbraw/zinc/98/54/85/532985485.db2.gz RHMQHXVBOWQBJN-MXWKQRLJSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000493992944 532985380 /nfs/dbraw/zinc/98/53/80/532985380.db2.gz RHMQHXVBOWQBJN-VWYCJHECSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1NCCO[C@@H]1C ZINC000494298618 226263765 /nfs/dbraw/zinc/26/37/65/226263765.db2.gz PJPHRSNDKGMPRS-AXFHLTTASA-N 2 0 243.351 -0.180 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000494650000 533842543 /nfs/dbraw/zinc/84/25/43/533842543.db2.gz COBQEEBMIBUHRR-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000494650008 226267391 /nfs/dbraw/zinc/26/73/91/226267391.db2.gz COBQEEBMIBUHRR-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494892692 534637150 /nfs/dbraw/zinc/63/71/50/534637150.db2.gz MRJUGSKGFKVOSX-GARJFASQSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494892694 534637533 /nfs/dbraw/zinc/63/75/33/534637533.db2.gz MRJUGSKGFKVOSX-GMTAPVOTSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494892696 534637953 /nfs/dbraw/zinc/63/79/53/534637953.db2.gz MRJUGSKGFKVOSX-HBNTYKKESA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494892698 534638181 /nfs/dbraw/zinc/63/81/81/534638181.db2.gz MRJUGSKGFKVOSX-OUAUKWLOSA-N 2 0 239.319 -0.815 20 0 BBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000495169235 530048077 /nfs/dbraw/zinc/04/80/77/530048077.db2.gz SWWMHSGLKBZKHT-URLYPYJESA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000514601215 387006964 /nfs/dbraw/zinc/00/69/64/387006964.db2.gz FVANHWRXYHUZCE-GHMZBOCLSA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000514601225 387008297 /nfs/dbraw/zinc/00/82/97/387008297.db2.gz FVANHWRXYHUZCE-MNOVXSKESA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000514601226 256680648 /nfs/dbraw/zinc/68/06/48/256680648.db2.gz FVANHWRXYHUZCE-QWRGUYRKSA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000514601227 387007152 /nfs/dbraw/zinc/00/71/52/387007152.db2.gz FVANHWRXYHUZCE-WDEREUQCSA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000514601794 387010613 /nfs/dbraw/zinc/01/06/13/387010613.db2.gz CXXLFAILIYSRKE-GXSJLCMTSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000514601795 387009875 /nfs/dbraw/zinc/00/98/75/387009875.db2.gz CXXLFAILIYSRKE-KOLCDFICSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000514601796 387009890 /nfs/dbraw/zinc/00/98/90/387009890.db2.gz CXXLFAILIYSRKE-MWLCHTKSSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000514601797 387009144 /nfs/dbraw/zinc/00/91/44/387009144.db2.gz CXXLFAILIYSRKE-ONGXEEELSA-N 2 0 241.335 -0.297 20 0 BBADRP O=C(C[NH2+]C1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000514602006 387010692 /nfs/dbraw/zinc/01/06/92/387010692.db2.gz FXNQIXPJWBELBZ-JTQLQIEISA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[NH2+]C1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000514602007 387010370 /nfs/dbraw/zinc/01/03/70/387010370.db2.gz FXNQIXPJWBELBZ-SNVBAGLBSA-N 2 0 227.308 -0.767 20 0 BBADRP CC[N@H+](CCCO)C[C@@](C)(O)C[NH2+]C ZINC000514608568 387015169 /nfs/dbraw/zinc/01/51/69/387015169.db2.gz WFEPHJIFUONDDO-JTQLQIEISA-N 2 0 204.314 -0.339 20 0 BBADRP CC[N@H+](CCCO)C[C@](C)(O)C[NH2+]C ZINC000514608569 387014268 /nfs/dbraw/zinc/01/42/68/387014268.db2.gz WFEPHJIFUONDDO-SNVBAGLBSA-N 2 0 204.314 -0.339 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000514672029 387919246 /nfs/dbraw/zinc/91/92/46/387919246.db2.gz INKMAZQFJOWOAP-HLTSFMKQSA-N 2 0 215.297 -0.783 20 0 BBADRP CN(C)C(=O)C(C)(C)[NH2+]CCN1CC[NH2+]CC1 ZINC000514674089 256686719 /nfs/dbraw/zinc/68/67/19/256686719.db2.gz YFHQVPDYBLLAFA-UHFFFAOYSA-N 2 0 242.367 -0.652 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000514680470 387542382 /nfs/dbraw/zinc/54/23/82/387542382.db2.gz XQZHBNPHLFUBCT-LLVKDONJSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000514680471 387542073 /nfs/dbraw/zinc/54/20/73/387542073.db2.gz XQZHBNPHLFUBCT-NSHDSACASA-N 2 0 241.335 -0.377 20 0 BBADRP COCC[NH2+]CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000514728011 387280541 /nfs/dbraw/zinc/28/05/41/387280541.db2.gz CWWZDASSQCAIGW-LLVKDONJSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[NH2+]CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000514728012 387279918 /nfs/dbraw/zinc/27/99/18/387279918.db2.gz CWWZDASSQCAIGW-NSHDSACASA-N 2 0 241.335 -0.425 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000514728523 387279456 /nfs/dbraw/zinc/27/94/56/387279456.db2.gz WSQVYNJGFDLFAB-KKZNHRDASA-N 2 0 209.293 -0.393 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000514790647 387292302 /nfs/dbraw/zinc/29/23/02/387292302.db2.gz KHJSYFLLKXSQCN-DTORHVGOSA-N 2 0 215.297 -0.924 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000514857523 387296553 /nfs/dbraw/zinc/29/65/53/387296553.db2.gz VSFVDAZGTHQTIE-GFCCVEGCSA-N 2 0 243.351 -0.272 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000514857524 387296934 /nfs/dbraw/zinc/29/69/34/387296934.db2.gz VSFVDAZGTHQTIE-LBPRGKRZSA-N 2 0 243.351 -0.272 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000514862616 256723687 /nfs/dbraw/zinc/72/36/87/256723687.db2.gz CDEVXSOEJMUTTI-SECBINFHSA-N 2 0 231.340 -0.207 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000514862617 387300345 /nfs/dbraw/zinc/30/03/45/387300345.db2.gz CDEVXSOEJMUTTI-VIFPVBQESA-N 2 0 231.340 -0.207 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000514877215 387302123 /nfs/dbraw/zinc/30/21/23/387302123.db2.gz PNOLUQPKWMEQCS-QMMMGPOBSA-N 2 0 200.286 -0.743 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514931776 388460266 /nfs/dbraw/zinc/46/02/66/388460266.db2.gz CGDKCKDSZUXQJM-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514931777 388460580 /nfs/dbraw/zinc/46/05/80/388460580.db2.gz CGDKCKDSZUXQJM-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514931778 388460830 /nfs/dbraw/zinc/46/08/30/388460830.db2.gz CGDKCKDSZUXQJM-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514931779 388460374 /nfs/dbraw/zinc/46/03/74/388460374.db2.gz CGDKCKDSZUXQJM-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000514931821 387307387 /nfs/dbraw/zinc/30/73/87/387307387.db2.gz IBLOEFBCAQTWRR-ATZCPNFKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000514931822 387307850 /nfs/dbraw/zinc/30/78/50/387307850.db2.gz IBLOEFBCAQTWRR-QXEWZRGKSA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C(=O)NCCNc2cc[nH+]cc2)C[NH2+]C1 ZINC000514934360 387316182 /nfs/dbraw/zinc/31/61/82/387316182.db2.gz IBHDWIWOXSEUBL-UHFFFAOYSA-N 2 0 234.303 -0.359 20 0 BBADRP CCC[NH2+]CCNC(=O)COC1CC[NH2+]CC1 ZINC000514937136 387316008 /nfs/dbraw/zinc/31/60/08/387316008.db2.gz HUHDJGXGEUAUJE-UHFFFAOYSA-N 2 0 243.351 -0.129 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000514937149 387318078 /nfs/dbraw/zinc/31/80/78/387318078.db2.gz JEAHRSLDVPHZLE-SECBINFHSA-N 2 0 245.323 -0.617 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000514937150 387319028 /nfs/dbraw/zinc/31/90/28/387319028.db2.gz JEAHRSLDVPHZLE-VIFPVBQESA-N 2 0 245.323 -0.617 20 0 BBADRP COC[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000514937557 387318749 /nfs/dbraw/zinc/31/87/49/387318749.db2.gz RNGIHMDKEABYOJ-PWSUYJOCSA-N 2 0 241.335 -0.519 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000514937558 387318768 /nfs/dbraw/zinc/31/87/68/387318768.db2.gz RNGIHMDKEABYOJ-ZYHUDNBSSA-N 2 0 241.335 -0.519 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000514940490 387318125 /nfs/dbraw/zinc/31/81/25/387318125.db2.gz WLZPEKQFWFWTKI-KOLCDFICSA-N 2 0 211.309 -0.194 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000515053775 387327635 /nfs/dbraw/zinc/32/76/35/387327635.db2.gz XEHZMPRCTMNRJR-IVZWLZJFSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000515053776 387327979 /nfs/dbraw/zinc/32/79/79/387327979.db2.gz XEHZMPRCTMNRJR-KXUCPTDWSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000515053777 256730853 /nfs/dbraw/zinc/73/08/53/256730853.db2.gz XEHZMPRCTMNRJR-LPEHRKFASA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000515053778 387326782 /nfs/dbraw/zinc/32/67/82/387326782.db2.gz XEHZMPRCTMNRJR-OPRDCNLKSA-N 2 0 229.324 -0.406 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]CCOC ZINC000515059114 387329958 /nfs/dbraw/zinc/32/99/58/387329958.db2.gz AMCWMXKIZNSDKN-GHMZBOCLSA-N 2 0 243.351 -0.273 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]CCOC ZINC000515059115 387329128 /nfs/dbraw/zinc/32/91/28/387329128.db2.gz AMCWMXKIZNSDKN-MNOVXSKESA-N 2 0 243.351 -0.273 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]CCOC ZINC000515059116 387330013 /nfs/dbraw/zinc/33/00/13/387330013.db2.gz AMCWMXKIZNSDKN-QWRGUYRKSA-N 2 0 243.351 -0.273 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]CCOC ZINC000515059117 256731659 /nfs/dbraw/zinc/73/16/59/256731659.db2.gz AMCWMXKIZNSDKN-WDEREUQCSA-N 2 0 243.351 -0.273 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000515059773 387329150 /nfs/dbraw/zinc/32/91/50/387329150.db2.gz MFODNGVAKWMKJZ-AEJSXWLSSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000515059774 256732485 /nfs/dbraw/zinc/73/24/85/256732485.db2.gz MFODNGVAKWMKJZ-BBBLOLIVSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000515059775 256732125 /nfs/dbraw/zinc/73/21/25/256732125.db2.gz MFODNGVAKWMKJZ-GUBZILKMSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000515059776 387328572 /nfs/dbraw/zinc/32/85/72/387328572.db2.gz MFODNGVAKWMKJZ-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000515060609 387328243 /nfs/dbraw/zinc/32/82/43/387328243.db2.gz UTZLTHWJAOGGDC-LLVKDONJSA-N 2 0 237.351 -0.024 20 0 BBADRP C[NH2+]CCCN1CC[NH2+]C[C@H]1c1nccn1C ZINC000515060611 387330004 /nfs/dbraw/zinc/33/00/04/387330004.db2.gz UTZLTHWJAOGGDC-NSHDSACASA-N 2 0 237.351 -0.024 20 0 BBADRP OC[C@@H]1C[C@H](O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000515176212 387343493 /nfs/dbraw/zinc/34/34/93/387343493.db2.gz DEKVBNKXGGJWJU-QWRGUYRKSA-N 2 0 214.309 -0.587 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000515234472 387353343 /nfs/dbraw/zinc/35/33/43/387353343.db2.gz KZKOXTRMHXMEOW-CMPLNLGQSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000515234473 387351834 /nfs/dbraw/zinc/35/18/34/387351834.db2.gz KZKOXTRMHXMEOW-JQWIXIFHSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000515234474 387351867 /nfs/dbraw/zinc/35/18/67/387351867.db2.gz KZKOXTRMHXMEOW-PWSUYJOCSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000515234475 387352715 /nfs/dbraw/zinc/35/27/15/387352715.db2.gz KZKOXTRMHXMEOW-ZYHUDNBSSA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000515300935 387361001 /nfs/dbraw/zinc/36/10/01/387361001.db2.gz XRIYINQPHRDCHV-HTQZYQBOSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H](NC(=O)CCOC1C[NH2+]C1)[C@H](C)[NH3+] ZINC000515300936 387361863 /nfs/dbraw/zinc/36/18/63/387361863.db2.gz XRIYINQPHRDCHV-JGVFFNPUSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000515300937 387361698 /nfs/dbraw/zinc/36/16/98/387361698.db2.gz XRIYINQPHRDCHV-SFYZADRCSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000515300938 256740500 /nfs/dbraw/zinc/74/05/00/256740500.db2.gz XRIYINQPHRDCHV-YUMQZZPRSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H]1[NH3+] ZINC000515302988 387361616 /nfs/dbraw/zinc/36/16/16/387361616.db2.gz PSUJROSVSROLDC-KKZNHRDASA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000515305707 387361731 /nfs/dbraw/zinc/36/17/31/387361731.db2.gz GYNZWNXVASPOPL-UHFFFAOYSA-N 2 0 228.340 -0.024 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(F)(F)F ZINC000515347074 387369269 /nfs/dbraw/zinc/36/92/69/387369269.db2.gz QQTAVOPHAUMGBZ-PHDIDXHHSA-N 2 0 225.214 -0.256 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@H]1CC[NH2+]1)C(F)(F)F ZINC000515347075 387368803 /nfs/dbraw/zinc/36/88/03/387368803.db2.gz QQTAVOPHAUMGBZ-RITPCOANSA-N 2 0 225.214 -0.256 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000515351671 387371267 /nfs/dbraw/zinc/37/12/67/387371267.db2.gz QKRGVYOINOPLSL-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000515351672 387370889 /nfs/dbraw/zinc/37/08/89/387370889.db2.gz QKRGVYOINOPLSL-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000515414233 398211115 /nfs/dbraw/zinc/21/11/15/398211115.db2.gz HJECGUQCUOUGRI-CMPLNLGQSA-N 2 0 241.335 -0.519 20 0 BBADRP COC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000515414234 398211242 /nfs/dbraw/zinc/21/12/42/398211242.db2.gz HJECGUQCUOUGRI-JQWIXIFHSA-N 2 0 241.335 -0.519 20 0 BBADRP COC[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000515414235 398210790 /nfs/dbraw/zinc/21/07/90/398210790.db2.gz HJECGUQCUOUGRI-PWSUYJOCSA-N 2 0 241.335 -0.519 20 0 BBADRP COC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000515414236 256744817 /nfs/dbraw/zinc/74/48/17/256744817.db2.gz HJECGUQCUOUGRI-ZYHUDNBSSA-N 2 0 241.335 -0.519 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000515414298 398211174 /nfs/dbraw/zinc/21/11/74/398211174.db2.gz JMASBFQSYVFJPY-CMPLNLGQSA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000515414301 256746063 /nfs/dbraw/zinc/74/60/63/256746063.db2.gz JMASBFQSYVFJPY-JQWIXIFHSA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000515414398 256746074 /nfs/dbraw/zinc/74/60/74/256746074.db2.gz JMASBFQSYVFJPY-PWSUYJOCSA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000515414399 398211161 /nfs/dbraw/zinc/21/11/61/398211161.db2.gz JMASBFQSYVFJPY-ZYHUDNBSSA-N 2 0 240.351 -0.852 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000515433337 387379317 /nfs/dbraw/zinc/37/93/17/387379317.db2.gz RRZCHCGOEFCHKO-QWRGUYRKSA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000515433338 387379830 /nfs/dbraw/zinc/37/98/30/387379830.db2.gz RRZCHCGOEFCHKO-WDEREUQCSA-N 2 0 240.351 -0.900 20 0 BBADRP CN(CCC[NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000515434698 387380645 /nfs/dbraw/zinc/38/06/45/387380645.db2.gz OAABKWUFQXRYNI-UHFFFAOYSA-N 2 0 226.324 -0.104 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000515435063 256745640 /nfs/dbraw/zinc/74/56/40/256745640.db2.gz VOBBPWWOUXYCCY-SFYZADRCSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000515435064 387380616 /nfs/dbraw/zinc/38/06/16/387380616.db2.gz VOBBPWWOUXYCCY-YUMQZZPRSA-N 2 0 200.286 -0.615 20 0 BBADRP COC[C@@]1(CNC(=O)C2([NH3+])CC2)CCC[NH2+]1 ZINC000515637793 387404796 /nfs/dbraw/zinc/40/47/96/387404796.db2.gz YEYLPNAAFBYRIQ-JTQLQIEISA-N 2 0 227.308 -0.638 20 0 BBADRP COC[C@]1(CNC(=O)C2([NH3+])CC2)CCC[NH2+]1 ZINC000515637794 387404718 /nfs/dbraw/zinc/40/47/18/387404718.db2.gz YEYLPNAAFBYRIQ-SNVBAGLBSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]CCCOC1CC[NH+](CCOCC[NH3+])CC1 ZINC000515649524 387413630 /nfs/dbraw/zinc/41/36/30/387413630.db2.gz CBSPDOMYTZLDTG-UHFFFAOYSA-N 3 0 245.367 -0.209 20 0 BBADRP O=C(NCCC1=CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000515673041 387410590 /nfs/dbraw/zinc/41/05/90/387410590.db2.gz NNGQBSWIVVWSEX-NSHDSACASA-N 2 0 238.335 -0.043 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000515842966 387433127 /nfs/dbraw/zinc/43/31/27/387433127.db2.gz MDMPRTJGUVGSGK-GHMZBOCLSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000515842967 259499222 /nfs/dbraw/zinc/49/92/22/259499222.db2.gz MDMPRTJGUVGSGK-MNOVXSKESA-N 2 0 241.335 -0.438 20 0 BBADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC[NH2+]1 ZINC000515843014 387432485 /nfs/dbraw/zinc/43/24/85/387432485.db2.gz OIPZLDKIXWESTI-HBNTYKKESA-N 2 0 223.320 -0.147 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000515843312 387433755 /nfs/dbraw/zinc/43/37/55/387433755.db2.gz ZZECJAABXKXWJW-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000515843313 387432624 /nfs/dbraw/zinc/43/26/24/387432624.db2.gz ZZECJAABXKXWJW-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[NH2+]CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000515847879 387434989 /nfs/dbraw/zinc/43/49/89/387434989.db2.gz QHOCBNPBFGCFGW-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP COCC[NH2+]CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000515847880 387434951 /nfs/dbraw/zinc/43/49/51/387434951.db2.gz QHOCBNPBFGCFGW-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP O=C(CC[NH2+]C1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000515867121 387437703 /nfs/dbraw/zinc/43/77/03/387437703.db2.gz HTOFTVYCJJAGFS-AOOOYVTPSA-N 2 0 223.320 -0.194 20 0 BBADRP [NH3+]C1(C(=O)NCCCN2CC[NH2+]CC2)CCC1 ZINC000516061081 387452462 /nfs/dbraw/zinc/45/24/62/387452462.db2.gz TWTVXVRNMPDDEX-UHFFFAOYSA-N 2 0 240.351 -0.721 20 0 BBADRP [NH3+]CCOCC[NH2+]C1(CO)CCCC1 ZINC000516076387 256763746 /nfs/dbraw/zinc/76/37/46/256763746.db2.gz PXSZZLCIFZFTTD-UHFFFAOYSA-N 2 0 202.298 -0.144 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516179873 387468522 /nfs/dbraw/zinc/46/85/22/387468522.db2.gz KPNUXACFGUPENN-LLVKDONJSA-N 2 0 242.367 -0.572 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000516180947 387468844 /nfs/dbraw/zinc/46/88/44/387468844.db2.gz UGWQVSMCHPFCCC-GHMZBOCLSA-N 2 0 240.351 -0.866 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000516180948 387469625 /nfs/dbraw/zinc/46/96/25/387469625.db2.gz UGWQVSMCHPFCCC-MNOVXSKESA-N 2 0 240.351 -0.866 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000516180949 387467789 /nfs/dbraw/zinc/46/77/89/387467789.db2.gz UGWQVSMCHPFCCC-QWRGUYRKSA-N 2 0 240.351 -0.866 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000516180950 387467947 /nfs/dbraw/zinc/46/79/47/387467947.db2.gz UGWQVSMCHPFCCC-WDEREUQCSA-N 2 0 240.351 -0.866 20 0 BBADRP [NH3+]CCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000516182709 387467718 /nfs/dbraw/zinc/46/77/18/387467718.db2.gz NBBVVYJULHLVBM-JTQLQIEISA-N 2 0 213.325 -0.368 20 0 BBADRP [NH3+]CCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000516182710 387468959 /nfs/dbraw/zinc/46/89/59/387468959.db2.gz NBBVVYJULHLVBM-SNVBAGLBSA-N 2 0 213.325 -0.368 20 0 BBADRP O=C(N1CC[C@@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000516183367 256766929 /nfs/dbraw/zinc/76/69/29/256766929.db2.gz RCXBVDSMSFOIBS-RTXFEEFZSA-N 2 0 235.331 -0.050 20 0 BBADRP O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000516183368 387471078 /nfs/dbraw/zinc/47/10/78/387471078.db2.gz RCXBVDSMSFOIBS-WXHSDQCUSA-N 2 0 235.331 -0.050 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000516195086 387472533 /nfs/dbraw/zinc/47/25/33/387472533.db2.gz LATAPNPPJRJHEH-BBBLOLIVSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H]1C ZINC000516195087 387472363 /nfs/dbraw/zinc/47/23/63/387472363.db2.gz LATAPNPPJRJHEH-UTLUCORTSA-N 2 0 226.324 -0.260 20 0 BBADRP CN(CCC[NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000516195301 256769027 /nfs/dbraw/zinc/76/90/27/256769027.db2.gz RGLFYULUCUOANU-UHFFFAOYSA-N 2 0 214.313 -0.142 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000516275339 387490588 /nfs/dbraw/zinc/49/05/88/387490588.db2.gz LBZVLKSOKACFPK-HTQZYQBOSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000516275343 387490224 /nfs/dbraw/zinc/49/02/24/387490224.db2.gz LBZVLKSOKACFPK-JGVFFNPUSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000516275344 387490178 /nfs/dbraw/zinc/49/01/78/387490178.db2.gz LBZVLKSOKACFPK-SFYZADRCSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000516275346 387489838 /nfs/dbraw/zinc/48/98/38/387489838.db2.gz LBZVLKSOKACFPK-YUMQZZPRSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000516286281 387495528 /nfs/dbraw/zinc/49/55/28/387495528.db2.gz IWXQHLVRDLNMQP-DJLDLDEBSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000516286282 387496016 /nfs/dbraw/zinc/49/60/16/387496016.db2.gz IWXQHLVRDLNMQP-HRDYMLBCSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000516286283 387495955 /nfs/dbraw/zinc/49/59/55/387495955.db2.gz IWXQHLVRDLNMQP-IWSPIJDZSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000516286284 256772053 /nfs/dbraw/zinc/77/20/53/256772053.db2.gz IWXQHLVRDLNMQP-XHNCKOQMSA-N 2 0 214.313 -0.145 20 0 BBADRP COCC[NH2+]CCNC(=O)CC1(C[NH3+])CC1 ZINC000516287584 387495420 /nfs/dbraw/zinc/49/54/20/387495420.db2.gz CHHSJGXEOMXOIE-UHFFFAOYSA-N 2 0 229.324 -0.532 20 0 BBADRP C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCCO1 ZINC000516291665 256772830 /nfs/dbraw/zinc/77/28/30/256772830.db2.gz YKTWANPDZNMRIB-GHMZBOCLSA-N 2 0 213.325 -0.294 20 0 BBADRP C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCCO1 ZINC000516291667 387497269 /nfs/dbraw/zinc/49/72/69/387497269.db2.gz YKTWANPDZNMRIB-MNOVXSKESA-N 2 0 213.325 -0.294 20 0 BBADRP C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCCO1 ZINC000516291669 387497620 /nfs/dbraw/zinc/49/76/20/387497620.db2.gz YKTWANPDZNMRIB-QWRGUYRKSA-N 2 0 213.325 -0.294 20 0 BBADRP C(N[C@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCCO1 ZINC000516291670 256773555 /nfs/dbraw/zinc/77/35/55/256773555.db2.gz YKTWANPDZNMRIB-WDEREUQCSA-N 2 0 213.325 -0.294 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516296880 387496625 /nfs/dbraw/zinc/49/66/25/387496625.db2.gz LTPGZTLOXSNPDT-PHIMTYICSA-N 2 0 243.351 -0.192 20 0 BBADRP [NH3+]C1(CNC(=O)N[C@H]2CC[NH2+]C2)CCC1 ZINC000516315902 387493606 /nfs/dbraw/zinc/49/36/06/387493606.db2.gz UQEHVZJOZXPHOX-QMMMGPOBSA-N 2 0 212.297 -0.471 20 0 BBADRP O=C(NCCNc1cc[nH+]cc1)[C@H]1CC[NH2+]1 ZINC000516461494 387512318 /nfs/dbraw/zinc/51/23/18/387512318.db2.gz RTBPXKVDUFUNGU-SNVBAGLBSA-N 2 0 220.276 -0.607 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000516465320 387511276 /nfs/dbraw/zinc/51/12/76/387511276.db2.gz FCVGZSWCWJNLIG-BQBZGAKWSA-N 2 0 223.267 -0.059 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000516465321 387512017 /nfs/dbraw/zinc/51/20/17/387512017.db2.gz FCVGZSWCWJNLIG-NKWVEPMBSA-N 2 0 223.267 -0.059 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000516465322 387512293 /nfs/dbraw/zinc/51/22/93/387512293.db2.gz FCVGZSWCWJNLIG-RNFRBKRXSA-N 2 0 223.267 -0.059 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000516465323 387512456 /nfs/dbraw/zinc/51/24/56/387512456.db2.gz FCVGZSWCWJNLIG-RQJHMYQMSA-N 2 0 223.267 -0.059 20 0 BBADRP [NH3+]CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000516470289 387514518 /nfs/dbraw/zinc/51/45/18/387514518.db2.gz MNNMNPIIGGIXAA-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000516470290 387513754 /nfs/dbraw/zinc/51/37/54/387513754.db2.gz MNNMNPIIGGIXAA-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000516470291 256778692 /nfs/dbraw/zinc/77/86/92/256778692.db2.gz MNNMNPIIGGIXAA-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000516470292 256778232 /nfs/dbraw/zinc/77/82/32/256778232.db2.gz MNNMNPIIGGIXAA-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000516562805 256792152 /nfs/dbraw/zinc/79/21/52/256792152.db2.gz YUPFFSYGBCLCRI-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000516562806 517396379 /nfs/dbraw/zinc/39/63/79/517396379.db2.gz YUPFFSYGBCLCRI-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000516568754 388349443 /nfs/dbraw/zinc/34/94/43/388349443.db2.gz XSVXFVYKKQPRIS-LLVKDONJSA-N 2 0 243.351 -0.368 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000516568755 388349560 /nfs/dbraw/zinc/34/95/60/388349560.db2.gz XSVXFVYKKQPRIS-NSHDSACASA-N 2 0 243.351 -0.368 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000516569082 388348992 /nfs/dbraw/zinc/34/89/92/388348992.db2.gz QXILVJCYPILEJE-AXFHLTTASA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000516569083 388349207 /nfs/dbraw/zinc/34/92/07/388349207.db2.gz QXILVJCYPILEJE-DCAQKATOSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000516569084 388349460 /nfs/dbraw/zinc/34/94/60/388349460.db2.gz QXILVJCYPILEJE-MXWKQRLJSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000516569085 388348976 /nfs/dbraw/zinc/34/89/76/388348976.db2.gz QXILVJCYPILEJE-VWYCJHECSA-N 2 0 243.351 -0.146 20 0 BBADRP CN1CCN(CC[NH2+]C(C)(C)C)[C@H](C[NH3+])C1 ZINC000516569827 388349691 /nfs/dbraw/zinc/34/96/91/388349691.db2.gz JFFPPIZCOWOZKP-LLVKDONJSA-N 2 0 228.384 -0.051 20 0 BBADRP CN1CCN(CC[NH2+]C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000516569828 388349283 /nfs/dbraw/zinc/34/92/83/388349283.db2.gz JFFPPIZCOWOZKP-NSHDSACASA-N 2 0 228.384 -0.051 20 0 BBADRP C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000516570858 388350267 /nfs/dbraw/zinc/35/02/67/388350267.db2.gz IJJRKLZVPPKJAC-BETUJISGSA-N 2 0 238.379 -0.282 20 0 BBADRP C[NH2+]CCCNC(=O)N(C)CCC[NH3+] ZINC000516585552 256794740 /nfs/dbraw/zinc/79/47/40/256794740.db2.gz VOVHRNBIMSCKKH-UHFFFAOYSA-N 2 0 202.302 -0.414 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000516644996 388512673 /nfs/dbraw/zinc/51/26/73/388512673.db2.gz IXDSZVYVKJISBJ-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP [NH3+]CCN(CCO)CCOC[C@@H]1CCCO1 ZINC000516650852 385006597 /nfs/dbraw/zinc/00/65/97/385006597.db2.gz IOYIHMHDHVOORW-NSHDSACASA-N 2 0 232.324 -0.565 20 0 BBADRP CN(CCN1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000516651888 259367506 /nfs/dbraw/zinc/36/75/06/259367506.db2.gz UYEVEHSTRMQPGG-LLVKDONJSA-N 2 0 212.341 -0.815 20 0 BBADRP CN(CCN1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000516651895 259367728 /nfs/dbraw/zinc/36/77/28/259367728.db2.gz UYEVEHSTRMQPGG-NSHDSACASA-N 2 0 212.341 -0.815 20 0 BBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000516652040 259367710 /nfs/dbraw/zinc/36/77/10/259367710.db2.gz POJQGLWJEJXSQK-GHMZBOCLSA-N 2 0 239.319 -0.984 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000516664253 256800080 /nfs/dbraw/zinc/80/00/80/256800080.db2.gz DBLFJEYXWPKCHJ-BDAKNGLRSA-N 2 0 214.313 -0.497 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000516664254 388513264 /nfs/dbraw/zinc/51/32/64/388513264.db2.gz DBLFJEYXWPKCHJ-IUCAKERBSA-N 2 0 214.313 -0.497 20 0 BBADRP CN(CCC[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000516664765 386941859 /nfs/dbraw/zinc/94/18/59/386941859.db2.gz MQZIVRJESUPPFW-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000516768666 388515584 /nfs/dbraw/zinc/51/55/84/388515584.db2.gz PJINMTNNTACYEA-ZJUUUORDSA-N 2 0 227.308 -0.957 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000516786713 384270220 /nfs/dbraw/zinc/27/02/20/384270220.db2.gz DYHBTTNLIPTTBY-BDAKNGLRSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000516786723 322818498 /nfs/dbraw/zinc/81/84/98/322818498.db2.gz DYHBTTNLIPTTBY-IUCAKERBSA-N 2 0 214.313 -0.225 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C[NH3+])OC ZINC000516865629 256804199 /nfs/dbraw/zinc/80/41/99/256804199.db2.gz ANRZACYNRIXVSJ-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C[NH3+])OC ZINC000516865633 256804729 /nfs/dbraw/zinc/80/47/29/256804729.db2.gz ANRZACYNRIXVSJ-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C[NH3+])OC ZINC000516865634 388520797 /nfs/dbraw/zinc/52/07/97/388520797.db2.gz ANRZACYNRIXVSJ-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C[NH3+])OC ZINC000516865635 388521129 /nfs/dbraw/zinc/52/11/29/388521129.db2.gz ANRZACYNRIXVSJ-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CCCO1 ZINC000516867970 259325331 /nfs/dbraw/zinc/32/53/31/259325331.db2.gz FDVNEXGITYUNHH-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CCCO1 ZINC000516867971 259325322 /nfs/dbraw/zinc/32/53/22/259325322.db2.gz FDVNEXGITYUNHH-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000516921247 388523830 /nfs/dbraw/zinc/52/38/30/388523830.db2.gz VYNYMMIPXFYTBK-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000516921248 388523273 /nfs/dbraw/zinc/52/32/73/388523273.db2.gz VYNYMMIPXFYTBK-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000516925417 388524428 /nfs/dbraw/zinc/52/44/28/388524428.db2.gz OZJLGVPDSJOOLZ-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000516925418 388524643 /nfs/dbraw/zinc/52/46/43/388524643.db2.gz OZJLGVPDSJOOLZ-UWVGGRQHSA-N 2 0 229.324 -0.521 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000516925419 388525108 /nfs/dbraw/zinc/52/51/08/388525108.db2.gz OZJLGVPDSJOOLZ-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000516925420 388525268 /nfs/dbraw/zinc/52/52/68/388525268.db2.gz OZJLGVPDSJOOLZ-ZJUUUORDSA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516926178 388524357 /nfs/dbraw/zinc/52/43/57/388524357.db2.gz COEZGASFXKDOGS-BEYHFKMWSA-N 2 0 209.293 -0.539 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516926179 256806636 /nfs/dbraw/zinc/80/66/36/256806636.db2.gz COEZGASFXKDOGS-PRQTWWFRSA-N 2 0 209.293 -0.539 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000516926467 388525278 /nfs/dbraw/zinc/52/52/78/388525278.db2.gz OOEAUBSWTBBZNY-GXSJLCMTSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000516926468 256806769 /nfs/dbraw/zinc/80/67/69/256806769.db2.gz OOEAUBSWTBBZNY-KOLCDFICSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000516926469 388524318 /nfs/dbraw/zinc/52/43/18/388524318.db2.gz OOEAUBSWTBBZNY-MWLCHTKSSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000516926470 256806297 /nfs/dbraw/zinc/80/62/97/256806297.db2.gz OOEAUBSWTBBZNY-ONGXEEELSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCC[NH3+] ZINC000516939379 388527534 /nfs/dbraw/zinc/52/75/34/388527534.db2.gz WUGCMGSDQNRZFQ-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCC[NH3+] ZINC000516939380 388527514 /nfs/dbraw/zinc/52/75/14/388527514.db2.gz WUGCMGSDQNRZFQ-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCC[NH3+] ZINC000516939381 388527187 /nfs/dbraw/zinc/52/71/87/388527187.db2.gz WUGCMGSDQNRZFQ-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCC[NH3+] ZINC000516939382 388523442 /nfs/dbraw/zinc/52/34/42/388523442.db2.gz WUGCMGSDQNRZFQ-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP COC[C@]1(CNC(=O)C(C)(C)C[NH3+])CCC[NH2+]1 ZINC000516964991 388528224 /nfs/dbraw/zinc/52/82/24/388528224.db2.gz DLEJEORYJVVMGQ-GFCCVEGCSA-N 2 0 243.351 -0.144 20 0 BBADRP COC[C@@]1(CNC(=O)C(C)(C)C[NH3+])CCC[NH2+]1 ZINC000516964992 388528746 /nfs/dbraw/zinc/52/87/46/388528746.db2.gz DLEJEORYJVVMGQ-LBPRGKRZSA-N 2 0 243.351 -0.144 20 0 BBADRP COC[C@]1(CNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000516965231 388528480 /nfs/dbraw/zinc/52/84/80/388528480.db2.gz VOZFAGQKNBSBFF-CMPLNLGQSA-N 2 0 241.335 -0.377 20 0 BBADRP COC[C@@]1(CNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000516965232 388528864 /nfs/dbraw/zinc/52/88/64/388528864.db2.gz VOZFAGQKNBSBFF-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)CCCC[NH3+])C1 ZINC000516965289 388528300 /nfs/dbraw/zinc/52/83/00/388528300.db2.gz OSNJIKKDJSZCSQ-GARJFASQSA-N 2 0 243.351 -0.003 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)CCCC[NH3+])C1 ZINC000516965290 388528588 /nfs/dbraw/zinc/52/85/88/388528588.db2.gz OSNJIKKDJSZCSQ-OUAUKWLOSA-N 2 0 243.351 -0.003 20 0 BBADRP CC[N@H+](C)CCNC(=O)Cn1ccnc1 ZINC000517003674 388531013 /nfs/dbraw/zinc/53/10/13/388531013.db2.gz IIQLBYMVDZEHTR-UHFFFAOYSA-N 2 0 210.281 -0.049 20 0 BBADRP C[NH2+]CCCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000517028034 388533347 /nfs/dbraw/zinc/53/33/47/388533347.db2.gz DSQOOJHBOJZULU-UHFFFAOYSA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH2+]CC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000517031453 388533319 /nfs/dbraw/zinc/53/33/19/388533319.db2.gz DEQRIAIXMMONGU-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000517031456 388533260 /nfs/dbraw/zinc/53/32/60/388533260.db2.gz DEQRIAIXMMONGU-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000517134456 388539467 /nfs/dbraw/zinc/53/94/67/388539467.db2.gz ODTIYZMZTXRRIR-VHSXEESVSA-N 2 0 220.276 -0.621 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000517139316 388540058 /nfs/dbraw/zinc/54/00/58/388540058.db2.gz GKJQKGNOZOWRFP-JTQLQIEISA-N 2 0 229.324 -0.580 20 0 BBADRP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000517139320 388539293 /nfs/dbraw/zinc/53/92/93/388539293.db2.gz GKJQKGNOZOWRFP-SNVBAGLBSA-N 2 0 229.324 -0.580 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000517141861 388539449 /nfs/dbraw/zinc/53/94/49/388539449.db2.gz DXGKBQPVQNTQCM-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000517141862 388539876 /nfs/dbraw/zinc/53/98/76/388539876.db2.gz DXGKBQPVQNTQCM-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000517142510 256816824 /nfs/dbraw/zinc/81/68/24/256816824.db2.gz PYNXZHPUQSYRQM-BDAKNGLRSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000517142514 388539608 /nfs/dbraw/zinc/53/96/08/388539608.db2.gz PYNXZHPUQSYRQM-IUCAKERBSA-N 2 0 215.297 -0.926 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000517146722 388539275 /nfs/dbraw/zinc/53/92/75/388539275.db2.gz LDNQSLUFBLCYRK-UHFFFAOYSA-N 3 0 226.368 -0.425 20 0 BBADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000517149425 388539961 /nfs/dbraw/zinc/53/99/61/388539961.db2.gz XMTFMNIZDYVABP-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000517149426 256816866 /nfs/dbraw/zinc/81/68/66/256816866.db2.gz XMTFMNIZDYVABP-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000517165974 388540541 /nfs/dbraw/zinc/54/05/41/388540541.db2.gz SYSLCUAUQMSODV-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517177559 388540743 /nfs/dbraw/zinc/54/07/43/388540743.db2.gz WFLPRBMQFYMCLL-UWVGGRQHSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC[NH2+]C1 ZINC000517177560 388541153 /nfs/dbraw/zinc/54/11/53/388541153.db2.gz WFLPRBMQFYMCLL-VHSXEESVSA-N 2 0 238.335 -0.116 20 0 BBADRP C[NH2+]CCCNC(=O)COC1CCC([NH3+])CC1 ZINC000517234593 388544016 /nfs/dbraw/zinc/54/40/16/388544016.db2.gz LRAMWENPBZNREH-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000517245912 388546035 /nfs/dbraw/zinc/54/60/35/388546035.db2.gz FRNPEGQLSFQFOT-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP [NH3+]CCCCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000517367500 388547789 /nfs/dbraw/zinc/54/77/89/388547789.db2.gz OHRAXRHLDDGIAB-UHFFFAOYSA-N 2 0 243.351 -0.046 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000517369038 388547759 /nfs/dbraw/zinc/54/77/59/388547759.db2.gz WNHNULCRCKLZKY-AXFHLTTASA-N 2 0 241.335 -0.536 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000517369039 388548210 /nfs/dbraw/zinc/54/82/10/388548210.db2.gz WNHNULCRCKLZKY-HBNTYKKESA-N 2 0 241.335 -0.536 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000517369851 388547950 /nfs/dbraw/zinc/54/79/50/388547950.db2.gz OIAWPWBSKCGAJV-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000517369852 259514712 /nfs/dbraw/zinc/51/47/12/259514712.db2.gz OIAWPWBSKCGAJV-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000517369853 388548077 /nfs/dbraw/zinc/54/80/77/388548077.db2.gz OIAWPWBSKCGAJV-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000517369854 388547651 /nfs/dbraw/zinc/54/76/51/388547651.db2.gz OIAWPWBSKCGAJV-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](C)N1CCN1CC[NH2+]CC1 ZINC000517372264 343367466 /nfs/dbraw/zinc/36/74/66/343367466.db2.gz ZUKIKRCYZLSHPZ-TXEJJXNPSA-N 2 0 226.368 -0.426 20 0 BBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]([NH3+])C1 ZINC000517373221 384080721 /nfs/dbraw/zinc/08/07/21/384080721.db2.gz KLKSMZZEXWJTEF-IHRRRGAJSA-N 2 0 249.358 -0.050 20 0 BBADRP O=C(CC[NH2+]C1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517391315 256825558 /nfs/dbraw/zinc/82/55/58/256825558.db2.gz PZHHLBQLZVVBNV-KOLCDFICSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]1 ZINC000517555715 256826824 /nfs/dbraw/zinc/82/68/24/256826824.db2.gz ZTKLBCXROMJHGB-NXEZZACHSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]1 ZINC000517555716 388553152 /nfs/dbraw/zinc/55/31/52/388553152.db2.gz ZTKLBCXROMJHGB-VHSXEESVSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000517564479 388553436 /nfs/dbraw/zinc/55/34/36/388553436.db2.gz BSCLKXOSTHVFOY-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000517564480 388553368 /nfs/dbraw/zinc/55/33/68/388553368.db2.gz BSCLKXOSTHVFOY-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP C[C@@]1(F)C[NH2+]CCN(CCN2CC[NH2+]CC2)C1 ZINC000517567598 388554235 /nfs/dbraw/zinc/55/42/35/388554235.db2.gz SUIOGFMKCXBUNI-GFCCVEGCSA-N 2 0 244.358 -0.475 20 0 BBADRP C[C@]1(F)C[NH2+]CCN(CCN2CC[NH2+]CC2)C1 ZINC000517567603 256828778 /nfs/dbraw/zinc/82/87/78/256828778.db2.gz SUIOGFMKCXBUNI-LBPRGKRZSA-N 2 0 244.358 -0.475 20 0 BBADRP CN(C(=O)CCOC1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000517739794 322810087 /nfs/dbraw/zinc/81/00/87/322810087.db2.gz ZADYAKGMIUDJRL-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000517741214 384046561 /nfs/dbraw/zinc/04/65/61/384046561.db2.gz FKAATBRZBCFNHO-BDAKNGLRSA-N 2 0 245.323 -0.490 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000517741219 384047959 /nfs/dbraw/zinc/04/79/59/384047959.db2.gz FKAATBRZBCFNHO-IUCAKERBSA-N 2 0 245.323 -0.490 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000517744949 322813095 /nfs/dbraw/zinc/81/30/95/322813095.db2.gz PMIBPMKEZAWLDT-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC2(CC[NH2+]2)CC1 ZINC000517750072 384407635 /nfs/dbraw/zinc/40/76/35/384407635.db2.gz RXZUHBHYPOAGDW-LLVKDONJSA-N 2 0 227.352 -0.215 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC2(CC[NH2+]2)CC1 ZINC000517750073 384407518 /nfs/dbraw/zinc/40/75/18/384407518.db2.gz RXZUHBHYPOAGDW-NSHDSACASA-N 2 0 227.352 -0.215 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000517756092 259322949 /nfs/dbraw/zinc/32/29/49/259322949.db2.gz FBVVXSKJIVXFCC-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000517756093 259322648 /nfs/dbraw/zinc/32/26/48/259322648.db2.gz FBVVXSKJIVXFCC-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000517934810 384580953 /nfs/dbraw/zinc/58/09/53/384580953.db2.gz BWRIBYVITKANMY-CSMHCCOUSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000517934811 384581715 /nfs/dbraw/zinc/58/17/15/384581715.db2.gz BWRIBYVITKANMY-FXQIFTODSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000517934812 384583753 /nfs/dbraw/zinc/58/37/53/384583753.db2.gz BWRIBYVITKANMY-PRJMDXOYSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000517934813 384581235 /nfs/dbraw/zinc/58/12/35/384581235.db2.gz BWRIBYVITKANMY-RNJXMRFFSA-N 2 0 203.286 -0.798 20 0 BBADRP C[NH2+]CCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517935257 256554962 /nfs/dbraw/zinc/55/49/62/256554962.db2.gz RGFAAMGWGZHNPQ-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000517938387 384585323 /nfs/dbraw/zinc/58/53/23/384585323.db2.gz RKHJLTYBTDQZMM-AOOOYVTPSA-N 2 0 223.320 -0.064 20 0 BBADRP CC(C)(C[NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000518183499 256561044 /nfs/dbraw/zinc/56/10/44/256561044.db2.gz ZZZHOLJJLMOUQW-SECBINFHSA-N 2 0 229.324 -0.453 20 0 BBADRP CC(C)(C[NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000518183500 384775125 /nfs/dbraw/zinc/77/51/25/384775125.db2.gz ZZZHOLJJLMOUQW-VIFPVBQESA-N 2 0 229.324 -0.453 20 0 BBADRP C(C[NH2+]CC1CC[NH2+]CC1)CN1CC[NH2+]CC1 ZINC000518185133 384780432 /nfs/dbraw/zinc/78/04/32/384780432.db2.gz KSAHIKXPUSAZOX-UHFFFAOYSA-N 3 0 240.395 -0.129 20 0 BBADRP C[NH2+]CCCN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000518370655 256568900 /nfs/dbraw/zinc/56/89/00/256568900.db2.gz WMDUOPGOPSSFMJ-LLVKDONJSA-N 2 0 240.307 -0.730 20 0 BBADRP C[NH2+]CCCN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000518370656 384994030 /nfs/dbraw/zinc/99/40/30/384994030.db2.gz WMDUOPGOPSSFMJ-NSHDSACASA-N 2 0 240.307 -0.730 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)C1CC1 ZINC000518372793 385002767 /nfs/dbraw/zinc/00/27/67/385002767.db2.gz GXHQTYHUOQCCBZ-NXEZZACHSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)C1CC1 ZINC000518372795 256568905 /nfs/dbraw/zinc/56/89/05/256568905.db2.gz GXHQTYHUOQCCBZ-VHSXEESVSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+]C1(C(=O)NCC2=CC[NH2+]CC2)CCC1 ZINC000518373535 385004721 /nfs/dbraw/zinc/00/47/21/385004721.db2.gz XSSFDAYDPCBDSN-UHFFFAOYSA-N 2 0 209.293 -0.096 20 0 BBADRP CO[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000518376918 385014894 /nfs/dbraw/zinc/01/48/94/385014894.db2.gz HPFDRTIDDFOQOB-LMLFDSFASA-N 2 0 241.335 -0.312 20 0 BBADRP CO[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000518376919 256568638 /nfs/dbraw/zinc/56/86/38/256568638.db2.gz HPFDRTIDDFOQOB-VLEAKVRGSA-N 2 0 241.335 -0.312 20 0 BBADRP CO[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000518376920 385015204 /nfs/dbraw/zinc/01/52/04/385015204.db2.gz HPFDRTIDDFOQOB-YTWAJWBKSA-N 2 0 241.335 -0.312 20 0 BBADRP CO[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000518376921 256568625 /nfs/dbraw/zinc/56/86/25/256568625.db2.gz HPFDRTIDDFOQOB-ZRUFSTJUSA-N 2 0 241.335 -0.312 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000518377003 385014985 /nfs/dbraw/zinc/01/49/85/385014985.db2.gz KUFHTQWGCGOERC-PHIMTYICSA-N 2 0 241.335 -0.438 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000518396966 385057490 /nfs/dbraw/zinc/05/74/90/385057490.db2.gz KUPRCOOLIALLSW-BBBLOLIVSA-N 2 0 211.309 -0.338 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000518396967 385057027 /nfs/dbraw/zinc/05/70/27/385057027.db2.gz KUPRCOOLIALLSW-KXUCPTDWSA-N 2 0 211.309 -0.338 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000518396968 385056823 /nfs/dbraw/zinc/05/68/23/385056823.db2.gz KUPRCOOLIALLSW-OPRDCNLKSA-N 2 0 211.309 -0.338 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000518396969 385056625 /nfs/dbraw/zinc/05/66/25/385056625.db2.gz KUPRCOOLIALLSW-UTLUCORTSA-N 2 0 211.309 -0.338 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000518517899 383972496 /nfs/dbraw/zinc/97/24/96/383972496.db2.gz SMWUJVAQILDQPD-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP COC1(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]CC1 ZINC000518537000 383990258 /nfs/dbraw/zinc/99/02/58/383990258.db2.gz RPIRIHBCOHHAEF-JTQLQIEISA-N 2 0 241.335 -0.392 20 0 BBADRP COC1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]CC1 ZINC000518537004 383991426 /nfs/dbraw/zinc/99/14/26/383991426.db2.gz RPIRIHBCOHHAEF-SNVBAGLBSA-N 2 0 241.335 -0.392 20 0 BBADRP COCC[NH2+]CC(=O)NC(C)(C)CC[NH3+] ZINC000518537141 256579008 /nfs/dbraw/zinc/57/90/08/256579008.db2.gz XMKFXVKRLAPQLW-UHFFFAOYSA-N 2 0 217.313 -0.534 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000518540369 383994826 /nfs/dbraw/zinc/99/48/26/383994826.db2.gz JFCPXOMHTLYFBZ-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000518540370 383992746 /nfs/dbraw/zinc/99/27/46/383992746.db2.gz JFCPXOMHTLYFBZ-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000518540371 383994245 /nfs/dbraw/zinc/99/42/45/383994245.db2.gz JFCPXOMHTLYFBZ-VHSXEESVSA-N 2 0 229.324 -0.582 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000518540372 256579184 /nfs/dbraw/zinc/57/91/84/256579184.db2.gz JFCPXOMHTLYFBZ-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000518559764 384009226 /nfs/dbraw/zinc/00/92/26/384009226.db2.gz HOWVDLHYXFCOJZ-RWMBFGLXSA-N 2 0 241.379 -0.065 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000518559765 384010457 /nfs/dbraw/zinc/01/04/57/384010457.db2.gz HOWVDLHYXFCOJZ-YNEHKIRRSA-N 2 0 241.379 -0.065 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000518756383 323048062 /nfs/dbraw/zinc/04/80/62/323048062.db2.gz HKJOMPIUSHZNQF-NXEZZACHSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000518756384 323047967 /nfs/dbraw/zinc/04/79/67/323047967.db2.gz HKJOMPIUSHZNQF-UWVGGRQHSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000518756385 323048010 /nfs/dbraw/zinc/04/80/10/323048010.db2.gz HKJOMPIUSHZNQF-VHSXEESVSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000518756386 323047988 /nfs/dbraw/zinc/04/79/88/323047988.db2.gz HKJOMPIUSHZNQF-ZJUUUORDSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC000518766485 346773926 /nfs/dbraw/zinc/77/39/26/346773926.db2.gz IBQNCJSVFLVGFC-HOSYDEDBSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC000518766486 346773947 /nfs/dbraw/zinc/77/39/47/346773947.db2.gz IBQNCJSVFLVGFC-JBLDHEPKSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC000518766487 346774062 /nfs/dbraw/zinc/77/40/62/346774062.db2.gz IBQNCJSVFLVGFC-NHCYSSNCSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC000518766488 346773966 /nfs/dbraw/zinc/77/39/66/346773966.db2.gz IBQNCJSVFLVGFC-UMNHJUIQSA-N 2 0 223.320 -0.194 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000518767608 385476123 /nfs/dbraw/zinc/47/61/23/385476123.db2.gz RUSZHCCQPYFQKN-LLVKDONJSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000518767609 385475504 /nfs/dbraw/zinc/47/55/04/385475504.db2.gz RUSZHCCQPYFQKN-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP [NH3+][C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000518768189 346829258 /nfs/dbraw/zinc/82/92/58/346829258.db2.gz DUCSGHCEOHEJRU-AXFHLTTASA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000518768190 346829300 /nfs/dbraw/zinc/82/93/00/346829300.db2.gz DUCSGHCEOHEJRU-OUAUKWLOSA-N 2 0 223.320 -0.208 20 0 BBADRP C[NH2+]C[C@H]1CCCN1CCN1CC[NH2+]CC1 ZINC000518771230 384710132 /nfs/dbraw/zinc/71/01/32/384710132.db2.gz MBEPKFLKWJAXNP-GFCCVEGCSA-N 2 0 226.368 -0.425 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1CCN1CC[NH2+]CC1 ZINC000518771233 384709358 /nfs/dbraw/zinc/70/93/58/384709358.db2.gz MBEPKFLKWJAXNP-LBPRGKRZSA-N 2 0 226.368 -0.425 20 0 BBADRP O=C(C[NH2+]CC1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000518977445 386967501 /nfs/dbraw/zinc/96/75/01/386967501.db2.gz RCSLOTKRNDAWPJ-MNOVXSKESA-N 2 0 223.320 -0.194 20 0 BBADRP O=C(N1CC[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000518981618 386968937 /nfs/dbraw/zinc/96/89/37/386968937.db2.gz DOYFKOGATMNJMW-KQXIARHKSA-N 2 0 235.331 -0.194 20 0 BBADRP O=C(N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000518981619 386968581 /nfs/dbraw/zinc/96/85/81/386968581.db2.gz DOYFKOGATMNJMW-UZWSLXQKSA-N 2 0 235.331 -0.194 20 0 BBADRP O=C(N1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000518981620 386968789 /nfs/dbraw/zinc/96/87/89/386968789.db2.gz DOYFKOGATMNJMW-WGBDABJCSA-N 2 0 235.331 -0.194 20 0 BBADRP O=C(N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000518981621 256640707 /nfs/dbraw/zinc/64/07/07/256640707.db2.gz DOYFKOGATMNJMW-XZUYRWCXSA-N 2 0 235.331 -0.194 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC1CC[NH2+]CC1 ZINC000518999639 256641875 /nfs/dbraw/zinc/64/18/75/256641875.db2.gz INHFFFZALDCKIF-UHFFFAOYSA-N 2 0 211.309 -0.003 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000519140441 387018334 /nfs/dbraw/zinc/01/83/34/387018334.db2.gz FVQAVYXAZKEWAU-MRVPVSSYSA-N 2 0 215.297 -0.700 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000519140442 387018919 /nfs/dbraw/zinc/01/89/19/387018919.db2.gz FVQAVYXAZKEWAU-QMMMGPOBSA-N 2 0 215.297 -0.700 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000519152341 387022828 /nfs/dbraw/zinc/02/28/28/387022828.db2.gz QAKOODJUZXIPEM-UWVGGRQHSA-N 2 0 231.340 -0.208 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000519152343 387022061 /nfs/dbraw/zinc/02/20/61/387022061.db2.gz QAKOODJUZXIPEM-ZJUUUORDSA-N 2 0 231.340 -0.208 20 0 BBADRP C[C@H]1[NH2+]CCN(CCN2CC[NH2+]CC2)[C@H]1C ZINC000519157734 387024959 /nfs/dbraw/zinc/02/49/59/387024959.db2.gz IRAYWSWYUUCCHS-NEPJUHHUSA-N 2 0 226.368 -0.426 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000519157735 387023998 /nfs/dbraw/zinc/02/39/98/387023998.db2.gz IRAYWSWYUUCCHS-NWDGAFQWSA-N 2 0 226.368 -0.426 20 0 BBADRP C[C@@H]1[NH2+]CCN(CCN2CC[NH2+]CC2)[C@H]1C ZINC000519157736 387024168 /nfs/dbraw/zinc/02/41/68/387024168.db2.gz IRAYWSWYUUCCHS-RYUDHWBXSA-N 2 0 226.368 -0.426 20 0 BBADRP C[C@H]1[NH2+]CCN(CCN2CC[NH2+]CC2)[C@@H]1C ZINC000519157737 387024042 /nfs/dbraw/zinc/02/40/42/387024042.db2.gz IRAYWSWYUUCCHS-VXGBXAGGSA-N 2 0 226.368 -0.426 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000519159164 387024822 /nfs/dbraw/zinc/02/48/22/387024822.db2.gz HLLVNHRQMQXEJH-FOGDFJRCSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC[NH2+]C1 ZINC000519159165 387024850 /nfs/dbraw/zinc/02/48/50/387024850.db2.gz HLLVNHRQMQXEJH-NHCYSSNCSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000519159166 387024117 /nfs/dbraw/zinc/02/41/17/387024117.db2.gz HLLVNHRQMQXEJH-SCVCMEIPSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC[NH2+]C1 ZINC000519159167 256644786 /nfs/dbraw/zinc/64/47/86/256644786.db2.gz HLLVNHRQMQXEJH-UMNHJUIQSA-N 2 0 243.351 -0.146 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000519398169 386431079 /nfs/dbraw/zinc/43/10/79/386431079.db2.gz FPCLOTUVPDVGKP-CIUDSAMLSA-N 2 0 243.307 -0.928 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000519398170 386431327 /nfs/dbraw/zinc/43/13/27/386431327.db2.gz FPCLOTUVPDVGKP-HLTSFMKQSA-N 2 0 243.307 -0.928 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000519398171 386431643 /nfs/dbraw/zinc/43/16/43/386431643.db2.gz FPCLOTUVPDVGKP-VGMNWLOBSA-N 2 0 243.307 -0.928 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000519398172 256647883 /nfs/dbraw/zinc/64/78/83/256647883.db2.gz FPCLOTUVPDVGKP-YIZRAAEISA-N 2 0 243.307 -0.928 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000519399492 256647920 /nfs/dbraw/zinc/64/79/20/256647920.db2.gz RFLXVXVCAIHJKV-AEJSXWLSSA-N 2 0 211.309 -0.338 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000519399493 386429640 /nfs/dbraw/zinc/42/96/40/386429640.db2.gz RFLXVXVCAIHJKV-BBBLOLIVSA-N 2 0 211.309 -0.338 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000519543096 386480926 /nfs/dbraw/zinc/48/09/26/386480926.db2.gz OMPAKBFUBWFEPS-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000519543144 256650309 /nfs/dbraw/zinc/65/03/09/256650309.db2.gz OMPAKBFUBWFEPS-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000519543148 386481695 /nfs/dbraw/zinc/48/16/95/386481695.db2.gz OMPAKBFUBWFEPS-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000519543151 256650804 /nfs/dbraw/zinc/65/08/04/256650804.db2.gz OMPAKBFUBWFEPS-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]1 ZINC000519546474 256650497 /nfs/dbraw/zinc/65/04/97/256650497.db2.gz UGLQBZSOVRFOKN-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]1 ZINC000519546494 256650488 /nfs/dbraw/zinc/65/04/88/256650488.db2.gz UGLQBZSOVRFOKN-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[NH2+]C1CC1)NCCCN1CC[NH2+]CC1 ZINC000519643163 386516465 /nfs/dbraw/zinc/51/64/65/386516465.db2.gz HXOHYEXWEXXFDM-UHFFFAOYSA-N 2 0 240.351 -0.850 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000519643409 386516812 /nfs/dbraw/zinc/51/68/12/386516812.db2.gz IOXIGCKLFBRIQU-AEJSXWLSSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000519643421 386516367 /nfs/dbraw/zinc/51/63/67/386516367.db2.gz IOXIGCKLFBRIQU-BBBLOLIVSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000519643427 386516431 /nfs/dbraw/zinc/51/64/31/386516431.db2.gz IOXIGCKLFBRIQU-GUBZILKMSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000519643430 386517553 /nfs/dbraw/zinc/51/75/53/386517553.db2.gz IOXIGCKLFBRIQU-KXUCPTDWSA-N 2 0 229.324 -0.441 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000519645661 386523447 /nfs/dbraw/zinc/52/34/47/386523447.db2.gz LZBKUVYXDLDOFV-JTQLQIEISA-N 2 0 228.340 -0.865 20 0 BBADRP NC(=O)CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000519645800 256655714 /nfs/dbraw/zinc/65/57/14/256655714.db2.gz CAFNFHIACCOKFJ-LLVKDONJSA-N 2 0 243.351 -0.312 20 0 BBADRP NC(=O)CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000519645819 256655453 /nfs/dbraw/zinc/65/54/53/256655453.db2.gz CAFNFHIACCOKFJ-NSHDSACASA-N 2 0 243.351 -0.312 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000519652549 517389542 /nfs/dbraw/zinc/38/95/42/517389542.db2.gz RIFYRMBEQWNZBR-DTWKUNHWSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000519652590 386520146 /nfs/dbraw/zinc/52/01/46/386520146.db2.gz RIFYRMBEQWNZBR-RKDXNWHRSA-N 2 0 229.324 -0.536 20 0 BBADRP COC1(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000519653635 386519500 /nfs/dbraw/zinc/51/95/00/386519500.db2.gz PTIBJDMKGUVVDI-NXEZZACHSA-N 2 0 243.351 -0.003 20 0 BBADRP COC1(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000519653684 386520813 /nfs/dbraw/zinc/52/08/13/386520813.db2.gz PTIBJDMKGUVVDI-UWVGGRQHSA-N 2 0 243.351 -0.003 20 0 BBADRP COC1(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000519653690 386519701 /nfs/dbraw/zinc/51/97/01/386519701.db2.gz PTIBJDMKGUVVDI-VHSXEESVSA-N 2 0 243.351 -0.003 20 0 BBADRP COC1(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000519653692 386519738 /nfs/dbraw/zinc/51/97/38/386519738.db2.gz PTIBJDMKGUVVDI-ZJUUUORDSA-N 2 0 243.351 -0.003 20 0 BBADRP COCC1(CNC(=O)[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000519712755 386533623 /nfs/dbraw/zinc/53/36/23/386533623.db2.gz XIDRTJLQCQAQBU-VIFPVBQESA-N 2 0 229.324 -0.534 20 0 BBADRP [NH3+]CCCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000519715517 386533528 /nfs/dbraw/zinc/53/35/28/386533528.db2.gz QVFHOIVWKIIKEF-SSDOTTSWSA-N 2 0 221.251 -0.161 20 0 BBADRP [NH3+]CCCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000519715676 386534654 /nfs/dbraw/zinc/53/46/54/386534654.db2.gz QVFHOIVWKIIKEF-ZETCQYMHSA-N 2 0 221.251 -0.161 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000519768604 386552533 /nfs/dbraw/zinc/55/25/33/386552533.db2.gz LRCKJKXVOVLFMN-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000519768606 256659557 /nfs/dbraw/zinc/65/95/57/256659557.db2.gz LRCKJKXVOVLFMN-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000519768607 386550862 /nfs/dbraw/zinc/55/08/62/386550862.db2.gz LRCKJKXVOVLFMN-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000519768610 256659476 /nfs/dbraw/zinc/65/94/76/256659476.db2.gz LRCKJKXVOVLFMN-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000519768993 386552779 /nfs/dbraw/zinc/55/27/79/386552779.db2.gz MMXTUOAIUGIVHB-GUBZILKMSA-N 3 0 228.340 -0.929 20 0 BBADRP C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])[C@H](C)[NH3+] ZINC000519769027 386550738 /nfs/dbraw/zinc/55/07/38/386550738.db2.gz MMXTUOAIUGIVHB-KXUCPTDWSA-N 3 0 228.340 -0.929 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000519769031 386552645 /nfs/dbraw/zinc/55/26/45/386552645.db2.gz MMXTUOAIUGIVHB-LPEHRKFASA-N 3 0 228.340 -0.929 20 0 BBADRP C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@H](C)[NH3+] ZINC000519769033 386550774 /nfs/dbraw/zinc/55/07/74/386550774.db2.gz MMXTUOAIUGIVHB-UTLUCORTSA-N 3 0 228.340 -0.929 20 0 BBADRP [NH3+]CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000519777426 256659395 /nfs/dbraw/zinc/65/93/95/256659395.db2.gz RKWWEEBNGLTTKW-UHFFFAOYSA-N 2 0 235.291 -0.612 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000519778031 386549660 /nfs/dbraw/zinc/54/96/60/386549660.db2.gz XWZLSBPCSKFVNQ-LLVKDONJSA-N 3 0 242.367 -0.536 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000519778059 386549558 /nfs/dbraw/zinc/54/95/58/386549558.db2.gz XWZLSBPCSKFVNQ-NSHDSACASA-N 3 0 242.367 -0.536 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000519823922 386563367 /nfs/dbraw/zinc/56/33/67/386563367.db2.gz GVMKAJADUMVJOQ-AEJSXWLSSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000519823926 386562579 /nfs/dbraw/zinc/56/25/79/386562579.db2.gz GVMKAJADUMVJOQ-BBBLOLIVSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000519823928 386561743 /nfs/dbraw/zinc/56/17/43/386561743.db2.gz GVMKAJADUMVJOQ-GUBZILKMSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000519823932 386562659 /nfs/dbraw/zinc/56/26/59/386562659.db2.gz GVMKAJADUMVJOQ-UTLUCORTSA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[NH+](C)C ZINC000519824062 386562847 /nfs/dbraw/zinc/56/28/47/386562847.db2.gz HTMKPDVOIOGOHN-BDAKNGLRSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[NH+](C)C ZINC000519824102 256660971 /nfs/dbraw/zinc/66/09/71/256660971.db2.gz HTMKPDVOIOGOHN-DTWKUNHWSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[NH+](C)C ZINC000519824106 386562467 /nfs/dbraw/zinc/56/24/67/386562467.db2.gz HTMKPDVOIOGOHN-IUCAKERBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[NH+](C)C ZINC000519824112 386562606 /nfs/dbraw/zinc/56/26/06/386562606.db2.gz HTMKPDVOIOGOHN-RKDXNWHRSA-N 2 0 216.329 -0.027 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000519829290 386565082 /nfs/dbraw/zinc/56/50/82/386565082.db2.gz RSMRJGLKDJRDFD-JTQLQIEISA-N 2 0 231.340 -0.144 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)CCCC[NH3+] ZINC000519829317 386565919 /nfs/dbraw/zinc/56/59/19/386565919.db2.gz RSMRJGLKDJRDFD-SNVBAGLBSA-N 2 0 231.340 -0.144 20 0 BBADRP CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000520218077 386602064 /nfs/dbraw/zinc/60/20/64/386602064.db2.gz BDAUUHGDESOESQ-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000520218078 386602079 /nfs/dbraw/zinc/60/20/79/386602079.db2.gz BDAUUHGDESOESQ-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000520218079 386603038 /nfs/dbraw/zinc/60/30/38/386603038.db2.gz BDAUUHGDESOESQ-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000520218080 256665361 /nfs/dbraw/zinc/66/53/61/256665361.db2.gz BDAUUHGDESOESQ-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000520230345 386607214 /nfs/dbraw/zinc/60/72/14/386607214.db2.gz LPECNEHCCGZIGS-GUBZILKMSA-N 2 0 229.324 -0.312 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000520230346 386608635 /nfs/dbraw/zinc/60/86/35/386608635.db2.gz LPECNEHCCGZIGS-KXUCPTDWSA-N 2 0 229.324 -0.312 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000520230347 386608660 /nfs/dbraw/zinc/60/86/60/386608660.db2.gz LPECNEHCCGZIGS-LPEHRKFASA-N 2 0 229.324 -0.312 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000520230348 386608325 /nfs/dbraw/zinc/60/83/25/386608325.db2.gz LPECNEHCCGZIGS-UTLUCORTSA-N 2 0 229.324 -0.312 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NCCN1CCO[C@H](C)C1 ZINC000520234131 386609562 /nfs/dbraw/zinc/60/95/62/386609562.db2.gz OQQDOYXJJURCOK-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NCCN1CCO[C@@H](C)C1 ZINC000520234132 386611269 /nfs/dbraw/zinc/61/12/69/386611269.db2.gz OQQDOYXJJURCOK-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H]1CCOC1 ZINC000520240176 256667026 /nfs/dbraw/zinc/66/70/26/256667026.db2.gz NOFDDCITPMPLLG-GHMZBOCLSA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H]1CCOC1 ZINC000520240177 386616344 /nfs/dbraw/zinc/61/63/44/386616344.db2.gz NOFDDCITPMPLLG-MNOVXSKESA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000520240178 386616431 /nfs/dbraw/zinc/61/64/31/386616431.db2.gz NOFDDCITPMPLLG-QWRGUYRKSA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000520240179 386616285 /nfs/dbraw/zinc/61/62/85/386616285.db2.gz NOFDDCITPMPLLG-WDEREUQCSA-N 2 0 216.325 -0.075 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000520252610 386619554 /nfs/dbraw/zinc/61/95/54/386619554.db2.gz ALAKCOSXNKVOAA-GRYCIOLGSA-N 2 0 226.368 -0.251 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000520252611 386619022 /nfs/dbraw/zinc/61/90/22/386619022.db2.gz ALAKCOSXNKVOAA-IJLUTSLNSA-N 2 0 226.368 -0.251 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000520252612 386619889 /nfs/dbraw/zinc/61/98/89/386619889.db2.gz ALAKCOSXNKVOAA-QJPTWQEYSA-N 2 0 226.368 -0.251 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000520252613 386619375 /nfs/dbraw/zinc/61/93/75/386619375.db2.gz ALAKCOSXNKVOAA-SDDRHHMPSA-N 2 0 226.368 -0.251 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000520376123 386657671 /nfs/dbraw/zinc/65/76/71/386657671.db2.gz DKRKFPBPGXVRMI-URLYPYJESA-N 2 0 240.351 -0.109 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000520405843 386667452 /nfs/dbraw/zinc/66/74/52/386667452.db2.gz ZZAMVYJSRCZTST-MNOVXSKESA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000520405844 386667656 /nfs/dbraw/zinc/66/76/56/386667656.db2.gz ZZAMVYJSRCZTST-QWRGUYRKSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCC[NH2+]C1CC1 ZINC000520585079 386697994 /nfs/dbraw/zinc/69/79/94/386697994.db2.gz DCZUOPSXOZBQPY-JTQLQIEISA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCC[NH2+]C1CC1 ZINC000520585080 386698313 /nfs/dbraw/zinc/69/83/13/386698313.db2.gz DCZUOPSXOZBQPY-SNVBAGLBSA-N 2 0 229.324 -0.392 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000520593502 386698397 /nfs/dbraw/zinc/69/83/97/386698397.db2.gz YEORMVCDNBYNTR-AXFHLTTASA-N 2 0 215.341 -0.361 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000520593503 386697634 /nfs/dbraw/zinc/69/76/34/386697634.db2.gz YEORMVCDNBYNTR-DCAQKATOSA-N 2 0 215.341 -0.361 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000520593504 386696804 /nfs/dbraw/zinc/69/68/04/386696804.db2.gz YEORMVCDNBYNTR-MXWKQRLJSA-N 2 0 215.341 -0.361 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000520593505 386698663 /nfs/dbraw/zinc/69/86/63/386698663.db2.gz YEORMVCDNBYNTR-OUAUKWLOSA-N 2 0 215.341 -0.361 20 0 BBADRP C[NH+]1CCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000520818281 387273270 /nfs/dbraw/zinc/27/32/70/387273270.db2.gz DKTXYBOTKCSLTI-PHIMTYICSA-N 2 0 240.351 -0.913 20 0 BBADRP C[NH2+]CCC(=O)NCCCN1CC[NH2+]CC1 ZINC000521040596 388559900 /nfs/dbraw/zinc/55/99/00/388559900.db2.gz PRCQZLHFULKCHR-UHFFFAOYSA-N 2 0 228.340 -0.993 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)CCOC1C[NH2+]C1 ZINC000521041656 384227107 /nfs/dbraw/zinc/22/71/07/384227107.db2.gz UZRZVHBYPAENEA-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000521046428 256833764 /nfs/dbraw/zinc/83/37/64/256833764.db2.gz OVDRLPHDXOQDQC-GXSJLCMTSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000521046429 388561204 /nfs/dbraw/zinc/56/12/04/388561204.db2.gz OVDRLPHDXOQDQC-KOLCDFICSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000521046430 388561327 /nfs/dbraw/zinc/56/13/27/388561327.db2.gz OVDRLPHDXOQDQC-MWLCHTKSSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000521046431 388561411 /nfs/dbraw/zinc/56/14/11/388561411.db2.gz OVDRLPHDXOQDQC-ONGXEEELSA-N 2 0 231.340 -0.160 20 0 BBADRP O=C1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C(=O)N1 ZINC000521063430 384656126 /nfs/dbraw/zinc/65/61/26/384656126.db2.gz UTLYOVLGTQOBIJ-BDAKNGLRSA-N 2 0 225.292 -0.619 20 0 BBADRP O=C1CC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C(=O)N1 ZINC000521063431 384657679 /nfs/dbraw/zinc/65/76/79/384657679.db2.gz UTLYOVLGTQOBIJ-DTWKUNHWSA-N 2 0 225.292 -0.619 20 0 BBADRP O=C1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C(=O)N1 ZINC000521063432 384656015 /nfs/dbraw/zinc/65/60/15/384656015.db2.gz UTLYOVLGTQOBIJ-IUCAKERBSA-N 2 0 225.292 -0.619 20 0 BBADRP O=C1CC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C(=O)N1 ZINC000521063433 384655796 /nfs/dbraw/zinc/65/57/96/384655796.db2.gz UTLYOVLGTQOBIJ-RKDXNWHRSA-N 2 0 225.292 -0.619 20 0 BBADRP COCC[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000521069349 259339148 /nfs/dbraw/zinc/33/91/48/259339148.db2.gz HQORKNSXWLVOMA-AXFHLTTASA-N 2 0 241.335 -0.345 20 0 BBADRP COCC[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000521069350 259339183 /nfs/dbraw/zinc/33/91/83/259339183.db2.gz HQORKNSXWLVOMA-DCAQKATOSA-N 2 0 241.335 -0.345 20 0 BBADRP COCC[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000521069351 259339693 /nfs/dbraw/zinc/33/96/93/259339693.db2.gz HQORKNSXWLVOMA-GARJFASQSA-N 2 0 241.335 -0.345 20 0 BBADRP COCC[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000521069352 259339366 /nfs/dbraw/zinc/33/93/66/259339366.db2.gz HQORKNSXWLVOMA-HBNTYKKESA-N 2 0 241.335 -0.345 20 0 BBADRP C[C@](C[NH3+])(NC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000521226992 388566051 /nfs/dbraw/zinc/56/60/51/388566051.db2.gz SCTYLMBRLKJPOL-GFCCVEGCSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000521226994 388565194 /nfs/dbraw/zinc/56/51/94/388565194.db2.gz SCTYLMBRLKJPOL-LBPRGKRZSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000521425658 398204341 /nfs/dbraw/zinc/20/43/41/398204341.db2.gz LFSLTNLQSZKBFO-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000521425659 398204484 /nfs/dbraw/zinc/20/44/84/398204484.db2.gz LFSLTNLQSZKBFO-GUBZILKMSA-N 2 0 227.308 -0.687 20 0 BBADRP COCC[NH2+]CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000521432973 385826918 /nfs/dbraw/zinc/82/69/18/385826918.db2.gz PRUKZQNWWQJLDA-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CSCN1 ZINC000521438117 386124590 /nfs/dbraw/zinc/12/45/90/386124590.db2.gz QIUJGCLMGQWGTK-BIIVOSGPSA-N 2 0 217.338 -0.109 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CSCN1 ZINC000521438118 386123903 /nfs/dbraw/zinc/12/39/03/386123903.db2.gz QIUJGCLMGQWGTK-FXQIFTODSA-N 2 0 217.338 -0.109 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CSCN1 ZINC000521438119 386124953 /nfs/dbraw/zinc/12/49/53/386124953.db2.gz QIUJGCLMGQWGTK-RNJXMRFFSA-N 2 0 217.338 -0.109 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CSCN1 ZINC000521438120 386125237 /nfs/dbraw/zinc/12/52/37/386125237.db2.gz QIUJGCLMGQWGTK-XLPZGREQSA-N 2 0 217.338 -0.109 20 0 BBADRP COCC[NH2+]C1CCN(CCOCC[NH3+])CC1 ZINC000521634727 388620201 /nfs/dbraw/zinc/62/02/01/388620201.db2.gz ZDPVGVVOEJXVDI-UHFFFAOYSA-N 2 0 245.367 -0.338 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000521897821 388639229 /nfs/dbraw/zinc/63/92/29/388639229.db2.gz IWPMFGRBQKGSNQ-NTSWFWBYSA-N 2 0 227.230 -0.010 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000521897824 388639742 /nfs/dbraw/zinc/63/97/42/388639742.db2.gz IWPMFGRBQKGSNQ-WDSKDSINSA-N 2 0 227.230 -0.010 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000522000383 388673948 /nfs/dbraw/zinc/67/39/48/388673948.db2.gz RBCVWKVPRGHOCJ-AEJSXWLSSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000522000384 388674017 /nfs/dbraw/zinc/67/40/17/388674017.db2.gz RBCVWKVPRGHOCJ-GUBZILKMSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000522000385 388674053 /nfs/dbraw/zinc/67/40/53/388674053.db2.gz RBCVWKVPRGHOCJ-IVZWLZJFSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000522000386 388673762 /nfs/dbraw/zinc/67/37/62/388673762.db2.gz RBCVWKVPRGHOCJ-LPEHRKFASA-N 2 0 227.308 -0.911 20 0 BBADRP COCC1(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000522000531 388673912 /nfs/dbraw/zinc/67/39/12/388673912.db2.gz VCJHDMFSIYRMDY-NXEZZACHSA-N 2 0 243.351 -0.146 20 0 BBADRP COCC1(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000522000532 388674032 /nfs/dbraw/zinc/67/40/32/388674032.db2.gz VCJHDMFSIYRMDY-UWVGGRQHSA-N 2 0 243.351 -0.146 20 0 BBADRP COCC1(C(=O)N[C@H](C)[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000522000533 259581861 /nfs/dbraw/zinc/58/18/61/259581861.db2.gz VCJHDMFSIYRMDY-VHSXEESVSA-N 2 0 243.351 -0.146 20 0 BBADRP COCC1(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000522000534 388674065 /nfs/dbraw/zinc/67/40/65/388674065.db2.gz VCJHDMFSIYRMDY-ZJUUUORDSA-N 2 0 243.351 -0.146 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000522002214 259581849 /nfs/dbraw/zinc/58/18/49/259581849.db2.gz RLXRFHGYTQTMOL-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP CC(C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000522014538 388675363 /nfs/dbraw/zinc/67/53/63/388675363.db2.gz VFBYYBPFAANJJK-NXEZZACHSA-N 2 0 211.309 -0.114 20 0 BBADRP CC(C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000522014539 259582918 /nfs/dbraw/zinc/58/29/18/259582918.db2.gz VFBYYBPFAANJJK-UWVGGRQHSA-N 2 0 211.309 -0.114 20 0 BBADRP CC(C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000522014541 259583292 /nfs/dbraw/zinc/58/32/92/259583292.db2.gz VFBYYBPFAANJJK-VHSXEESVSA-N 2 0 211.309 -0.114 20 0 BBADRP CC(C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000522014542 388674861 /nfs/dbraw/zinc/67/48/61/388674861.db2.gz VFBYYBPFAANJJK-ZJUUUORDSA-N 2 0 211.309 -0.114 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)CN1CC[NH+](CC)CC1 ZINC000522060709 259358828 /nfs/dbraw/zinc/35/88/28/259358828.db2.gz PAIPQUOSHHJZKJ-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)CN1CC[NH+](CC)CC1 ZINC000522060712 259358819 /nfs/dbraw/zinc/35/88/19/259358819.db2.gz PAIPQUOSHHJZKJ-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CN(CCC[NH+](C)C)C(=O)C[NH+](C)C ZINC000527485534 387578915 /nfs/dbraw/zinc/57/89/15/387578915.db2.gz LQSCVVMCAYXSQW-UHFFFAOYSA-N 2 0 201.314 -0.042 20 0 BBADRP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC1(O)CCC1 ZINC000528358826 387908910 /nfs/dbraw/zinc/90/89/10/387908910.db2.gz YMCWYVDXOPHLPU-GRYCIOLGSA-N 2 0 240.347 -0.196 20 0 BBADRP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)CC1(O)CCC1 ZINC000528358827 387908384 /nfs/dbraw/zinc/90/83/84/387908384.db2.gz YMCWYVDXOPHLPU-SRVKXCTJSA-N 2 0 240.347 -0.196 20 0 BBADRP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CC1(O)CCC1 ZINC000528358828 387909483 /nfs/dbraw/zinc/90/94/83/387909483.db2.gz YMCWYVDXOPHLPU-TUAOUCFPSA-N 2 0 240.347 -0.196 20 0 BBADRP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)CC1(O)CCC1 ZINC000528358829 323805953 /nfs/dbraw/zinc/80/59/53/323805953.db2.gz YMCWYVDXOPHLPU-UTUOFQBUSA-N 2 0 240.347 -0.196 20 0 BBADRP [NH3+]CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529328792 324273834 /nfs/dbraw/zinc/27/38/34/324273834.db2.gz HASAWRVTHYNXGJ-MRVPVSSYSA-N 2 0 212.297 -0.471 20 0 BBADRP [NH3+]CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529328794 324274326 /nfs/dbraw/zinc/27/43/26/324274326.db2.gz HASAWRVTHYNXGJ-QMMMGPOBSA-N 2 0 212.297 -0.471 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[NH3+] ZINC000529328846 324273821 /nfs/dbraw/zinc/27/38/21/324273821.db2.gz HSZNKOLLPGKBEY-SECBINFHSA-N 2 0 214.313 -0.416 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[NH3+] ZINC000529328848 324274467 /nfs/dbraw/zinc/27/44/67/324274467.db2.gz HSZNKOLLPGKBEY-VIFPVBQESA-N 2 0 214.313 -0.416 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH3+] ZINC000529330547 324275386 /nfs/dbraw/zinc/27/53/86/324275386.db2.gz HEDZDBXPLSYMKK-JTQLQIEISA-N 2 0 228.340 -0.025 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[NH3+] ZINC000529330548 324272923 /nfs/dbraw/zinc/27/29/23/324272923.db2.gz HEDZDBXPLSYMKK-SNVBAGLBSA-N 2 0 228.340 -0.025 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC1C[NH2+]C1 ZINC000529331704 324275254 /nfs/dbraw/zinc/27/52/54/324275254.db2.gz BTEJSTQJZAMOLN-LLVKDONJSA-N 2 0 240.351 -0.155 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC1C[NH2+]C1 ZINC000529331705 324275232 /nfs/dbraw/zinc/27/52/32/324275232.db2.gz BTEJSTQJZAMOLN-NSHDSACASA-N 2 0 240.351 -0.155 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529333970 324274939 /nfs/dbraw/zinc/27/49/39/324274939.db2.gz IGUKFECAFPBYTR-BDAKNGLRSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529333971 324275224 /nfs/dbraw/zinc/27/52/24/324275224.db2.gz IGUKFECAFPBYTR-RKDXNWHRSA-N 2 0 226.324 -0.083 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000529334361 324276197 /nfs/dbraw/zinc/27/61/97/324276197.db2.gz VRFPTQMLGAAHGY-NXEZZACHSA-N 2 0 242.323 -0.974 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000529334362 324276249 /nfs/dbraw/zinc/27/62/49/324276249.db2.gz VRFPTQMLGAAHGY-UWVGGRQHSA-N 2 0 242.323 -0.974 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000529334363 324275776 /nfs/dbraw/zinc/27/57/76/324275776.db2.gz VRFPTQMLGAAHGY-VHSXEESVSA-N 2 0 242.323 -0.974 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000529334364 324276007 /nfs/dbraw/zinc/27/60/07/324276007.db2.gz VRFPTQMLGAAHGY-ZJUUUORDSA-N 2 0 242.323 -0.974 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH3+] ZINC000529336387 324275786 /nfs/dbraw/zinc/27/57/86/324275786.db2.gz SZMMEBKYWPKAIH-NXEZZACHSA-N 2 0 228.340 -0.027 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH3+] ZINC000529336398 324276240 /nfs/dbraw/zinc/27/62/40/324276240.db2.gz SZMMEBKYWPKAIH-ZJUUUORDSA-N 2 0 228.340 -0.027 20 0 BBADRP O=C(NCC1C[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529337011 324275767 /nfs/dbraw/zinc/27/57/67/324275767.db2.gz NSBOSENHMNGYBT-JTQLQIEISA-N 2 0 238.335 -0.210 20 0 BBADRP O=C(NCC1C[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529337015 324276025 /nfs/dbraw/zinc/27/60/25/324276025.db2.gz NSBOSENHMNGYBT-SNVBAGLBSA-N 2 0 238.335 -0.210 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529337653 324276098 /nfs/dbraw/zinc/27/60/98/324276098.db2.gz KCQWRVCKEDZCKB-BDAKNGLRSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529337655 324275992 /nfs/dbraw/zinc/27/59/92/324275992.db2.gz KCQWRVCKEDZCKB-DTWKUNHWSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529337657 324275931 /nfs/dbraw/zinc/27/59/31/324275931.db2.gz KCQWRVCKEDZCKB-IUCAKERBSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529337659 324275853 /nfs/dbraw/zinc/27/58/53/324275853.db2.gz KCQWRVCKEDZCKB-RKDXNWHRSA-N 2 0 226.324 -0.083 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000529340100 324276876 /nfs/dbraw/zinc/27/68/76/324276876.db2.gz PYJDBBLAIIIDQA-NXEZZACHSA-N 2 0 228.340 -0.027 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[NH3+] ZINC000529340101 324276714 /nfs/dbraw/zinc/27/67/14/324276714.db2.gz PYJDBBLAIIIDQA-UWVGGRQHSA-N 2 0 228.340 -0.027 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[NH3+] ZINC000529340102 324277058 /nfs/dbraw/zinc/27/70/58/324277058.db2.gz PYJDBBLAIIIDQA-VHSXEESVSA-N 2 0 228.340 -0.027 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000529340103 324276936 /nfs/dbraw/zinc/27/69/36/324276936.db2.gz PYJDBBLAIIIDQA-ZJUUUORDSA-N 2 0 228.340 -0.027 20 0 BBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000529340294 324277095 /nfs/dbraw/zinc/27/70/95/324277095.db2.gz VLWGYLAUFPFDKA-UWVGGRQHSA-N 2 0 242.323 -0.974 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000529340296 324277145 /nfs/dbraw/zinc/27/71/45/324277145.db2.gz VLWGYLAUFPFDKA-VHSXEESVSA-N 2 0 242.323 -0.974 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529340598 324276837 /nfs/dbraw/zinc/27/68/37/324276837.db2.gz IKPKKJRKGGPSLP-UWVGGRQHSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CC[NH2+]C1 ZINC000529340603 324276754 /nfs/dbraw/zinc/27/67/54/324276754.db2.gz IKPKKJRKGGPSLP-VHSXEESVSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000529342636 324276674 /nfs/dbraw/zinc/27/66/74/324276674.db2.gz VLWGYLAUFPFDKA-NXEZZACHSA-N 2 0 242.323 -0.974 20 0 BBADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000529342637 324277114 /nfs/dbraw/zinc/27/71/14/324277114.db2.gz VLWGYLAUFPFDKA-ZJUUUORDSA-N 2 0 242.323 -0.974 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000529345264 324277934 /nfs/dbraw/zinc/27/79/34/324277934.db2.gz WESIPZUGRWPIET-QWRGUYRKSA-N 2 0 240.351 -0.012 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000529345265 324277574 /nfs/dbraw/zinc/27/75/74/324277574.db2.gz WESIPZUGRWPIET-WDEREUQCSA-N 2 0 240.351 -0.012 20 0 BBADRP CN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529346949 324277586 /nfs/dbraw/zinc/27/75/86/324277586.db2.gz BIIAFBZVHUYHSU-SECBINFHSA-N 2 0 226.324 -0.129 20 0 BBADRP CN(CC[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529346950 324277459 /nfs/dbraw/zinc/27/74/59/324277459.db2.gz BIIAFBZVHUYHSU-VIFPVBQESA-N 2 0 226.324 -0.129 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000529347428 324277893 /nfs/dbraw/zinc/27/78/93/324277893.db2.gz DEPNZOXMVURJRT-JTQLQIEISA-N 2 0 238.335 -0.114 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000529347429 324273961 /nfs/dbraw/zinc/27/39/61/324273961.db2.gz DEPNZOXMVURJRT-SNVBAGLBSA-N 2 0 238.335 -0.114 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529348453 324278798 /nfs/dbraw/zinc/27/87/98/324278798.db2.gz IKPKKJRKGGPSLP-NXEZZACHSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529348454 324278514 /nfs/dbraw/zinc/27/85/14/324278514.db2.gz IKPKKJRKGGPSLP-ZJUUUORDSA-N 2 0 238.335 -0.068 20 0 BBADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)C1CC([NH3+])C1 ZINC000529376228 324282078 /nfs/dbraw/zinc/28/20/78/324282078.db2.gz BVGZNMQZCKZRDJ-HWOCKDDLSA-N 2 0 242.323 -0.894 20 0 BBADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)C1CC([NH3+])C1 ZINC000529376267 324282346 /nfs/dbraw/zinc/28/23/46/324282346.db2.gz BVGZNMQZCKZRDJ-KYHHOPLUSA-N 2 0 242.323 -0.894 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529386501 324284530 /nfs/dbraw/zinc/28/45/30/324284530.db2.gz JHHQCHYVKVFDAA-NXEZZACHSA-N 2 0 242.323 -0.893 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529386503 324284257 /nfs/dbraw/zinc/28/42/57/324284257.db2.gz JHHQCHYVKVFDAA-ZJUUUORDSA-N 2 0 242.323 -0.893 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000529390106 324285610 /nfs/dbraw/zinc/28/56/10/324285610.db2.gz WESIPZUGRWPIET-GHMZBOCLSA-N 2 0 240.351 -0.012 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000529390107 324285226 /nfs/dbraw/zinc/28/52/26/324285226.db2.gz WESIPZUGRWPIET-MNOVXSKESA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529390714 324285410 /nfs/dbraw/zinc/28/54/10/324285410.db2.gz VPUGGRLIVNTGTI-AEJSXWLSSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529390716 324285643 /nfs/dbraw/zinc/28/56/43/324285643.db2.gz VPUGGRLIVNTGTI-GUBZILKMSA-N 2 0 242.323 -0.894 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529390821 324284975 /nfs/dbraw/zinc/28/49/75/324284975.db2.gz WOWMANYEXVTOQI-NXEZZACHSA-N 2 0 242.323 -0.893 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529390823 324285651 /nfs/dbraw/zinc/28/56/51/324285651.db2.gz WOWMANYEXVTOQI-VHSXEESVSA-N 2 0 242.323 -0.893 20 0 BBADRP C[C@H](NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000530220651 388632596 /nfs/dbraw/zinc/63/25/96/388632596.db2.gz CBWDNPUTMFQUEX-AXFHLTTASA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@H](NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000530220653 324538788 /nfs/dbraw/zinc/53/87/88/324538788.db2.gz CBWDNPUTMFQUEX-DCAQKATOSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@H](NC[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000530220654 324539072 /nfs/dbraw/zinc/53/90/72/324539072.db2.gz CBWDNPUTMFQUEX-GARJFASQSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H](NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000530220656 388632852 /nfs/dbraw/zinc/63/28/52/388632852.db2.gz CBWDNPUTMFQUEX-GMTAPVOTSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@H](NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000530220657 388633224 /nfs/dbraw/zinc/63/32/24/388633224.db2.gz CBWDNPUTMFQUEX-HBNTYKKESA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H](NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000530220659 324539186 /nfs/dbraw/zinc/53/91/86/324539186.db2.gz CBWDNPUTMFQUEX-MXWKQRLJSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H](NC[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000530220660 388632578 /nfs/dbraw/zinc/63/25/78/388632578.db2.gz CBWDNPUTMFQUEX-OUAUKWLOSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H](NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000530220662 324538968 /nfs/dbraw/zinc/53/89/68/324538968.db2.gz CBWDNPUTMFQUEX-VWYCJHECSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530221328 388632725 /nfs/dbraw/zinc/63/27/25/388632725.db2.gz DKDRGLXNLSSAGU-GMTAPVOTSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530221339 388633299 /nfs/dbraw/zinc/63/32/99/388633299.db2.gz DKDRGLXNLSSAGU-MXWKQRLJSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530221341 388632783 /nfs/dbraw/zinc/63/27/83/388632783.db2.gz DKDRGLXNLSSAGU-OUAUKWLOSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530221343 388632750 /nfs/dbraw/zinc/63/27/50/388632750.db2.gz DKDRGLXNLSSAGU-VWYCJHECSA-N 2 0 213.325 -0.438 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530223438 388634092 /nfs/dbraw/zinc/63/40/92/388634092.db2.gz JQUQSUAZVLVETR-AXFHLTTASA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000530223441 388634218 /nfs/dbraw/zinc/63/42/18/388634218.db2.gz JQUQSUAZVLVETR-DCAQKATOSA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000530223442 388634020 /nfs/dbraw/zinc/63/40/20/388634020.db2.gz JQUQSUAZVLVETR-GARJFASQSA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530223444 323218422 /nfs/dbraw/zinc/21/84/22/323218422.db2.gz JQUQSUAZVLVETR-HBNTYKKESA-N 2 0 213.325 -0.308 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000530225616 388635550 /nfs/dbraw/zinc/63/55/50/388635550.db2.gz UOYXRBQZVGSAGE-GRYCIOLGSA-N 2 0 227.352 -0.095 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530225617 388635364 /nfs/dbraw/zinc/63/53/64/388635364.db2.gz UOYXRBQZVGSAGE-IJLUTSLNSA-N 2 0 227.352 -0.095 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530225618 388635443 /nfs/dbraw/zinc/63/54/43/388635443.db2.gz UOYXRBQZVGSAGE-UTUOFQBUSA-N 2 0 227.352 -0.095 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000530225619 388635342 /nfs/dbraw/zinc/63/53/42/388635342.db2.gz UOYXRBQZVGSAGE-WOPDTQHZSA-N 2 0 227.352 -0.095 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2COCCN2)C1 ZINC000530226555 324546103 /nfs/dbraw/zinc/54/61/03/324546103.db2.gz RXNPTBKSLZBXMC-GMTAPVOTSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2COCCN2)C1 ZINC000530226556 324546240 /nfs/dbraw/zinc/54/62/40/324546240.db2.gz RXNPTBKSLZBXMC-MXWKQRLJSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2COCCN2)C1 ZINC000530226557 388635311 /nfs/dbraw/zinc/63/53/11/388635311.db2.gz RXNPTBKSLZBXMC-OUAUKWLOSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2COCCN2)C1 ZINC000530226558 388636005 /nfs/dbraw/zinc/63/60/05/388636005.db2.gz RXNPTBKSLZBXMC-VWYCJHECSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+]C1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000530226563 388635290 /nfs/dbraw/zinc/63/52/90/388635290.db2.gz SCNLFWIKGJYBSH-ILDUYXDCSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+]C1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000530226564 324546234 /nfs/dbraw/zinc/54/62/34/324546234.db2.gz SCNLFWIKGJYBSH-VQXHTEKXSA-N 2 0 213.325 -0.166 20 0 BBADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000530226576 388635770 /nfs/dbraw/zinc/63/57/70/388635770.db2.gz SLODPFYUBZPDPH-GRYCIOLGSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530226577 388635101 /nfs/dbraw/zinc/63/51/01/388635101.db2.gz SLODPFYUBZPDPH-IJLUTSLNSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530226579 388635175 /nfs/dbraw/zinc/63/51/75/388635175.db2.gz SLODPFYUBZPDPH-UTUOFQBUSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000530226580 388635319 /nfs/dbraw/zinc/63/53/19/388635319.db2.gz SLODPFYUBZPDPH-WOPDTQHZSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1COCCN1 ZINC000530227205 388635720 /nfs/dbraw/zinc/63/57/20/388635720.db2.gz VXIACEQAKUWWFO-AEJSXWLSSA-N 2 0 201.314 -0.310 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1COCCN1 ZINC000530227206 324547798 /nfs/dbraw/zinc/54/77/98/324547798.db2.gz VXIACEQAKUWWFO-GUBZILKMSA-N 2 0 201.314 -0.310 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1COCCN1 ZINC000530227207 388635147 /nfs/dbraw/zinc/63/51/47/388635147.db2.gz VXIACEQAKUWWFO-IVZWLZJFSA-N 2 0 201.314 -0.310 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1COCCN1 ZINC000530227208 388635906 /nfs/dbraw/zinc/63/59/06/388635906.db2.gz VXIACEQAKUWWFO-LPEHRKFASA-N 2 0 201.314 -0.310 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1CCOCC[NH3+] ZINC000530229394 388637034 /nfs/dbraw/zinc/63/70/34/388637034.db2.gz OJQUJNZWCNLLLM-LLVKDONJSA-N 2 0 215.341 -0.109 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1CCOCC[NH3+] ZINC000530229396 388637127 /nfs/dbraw/zinc/63/71/27/388637127.db2.gz OJQUJNZWCNLLLM-NSHDSACASA-N 2 0 215.341 -0.109 20 0 BBADRP NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242930 388637831 /nfs/dbraw/zinc/63/78/31/388637831.db2.gz VURWZAWHHPHCHD-LLVKDONJSA-N 2 0 241.335 -0.438 20 0 BBADRP NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242937 388638410 /nfs/dbraw/zinc/63/84/10/388638410.db2.gz VURWZAWHHPHCHD-NSHDSACASA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2COCCN2)CC[NH2+]1 ZINC000530246125 324556320 /nfs/dbraw/zinc/55/63/20/324556320.db2.gz CIFZXBUTFDBNIW-GRYCIOLGSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2COCCN2)CC[NH2+]1 ZINC000530246126 388639012 /nfs/dbraw/zinc/63/90/12/388639012.db2.gz CIFZXBUTFDBNIW-IJLUTSLNSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2COCCN2)CC[NH2+]1 ZINC000530246127 388638748 /nfs/dbraw/zinc/63/87/48/388638748.db2.gz CIFZXBUTFDBNIW-UTUOFQBUSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2COCCN2)CC[NH2+]1 ZINC000530246128 388638755 /nfs/dbraw/zinc/63/87/55/388638755.db2.gz CIFZXBUTFDBNIW-WOPDTQHZSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@]1(C[NH2+]C[C@@H]2COCCN2)CC[NH2+]C1 ZINC000530246850 388639624 /nfs/dbraw/zinc/63/96/24/388639624.db2.gz LDIHBCUOFNARME-GHMZBOCLSA-N 2 0 213.325 -0.436 20 0 BBADRP C[C@]1(C[NH2+]C[C@@H]2COCCN2)CC[NH2+]C1 ZINC000530246851 388639504 /nfs/dbraw/zinc/63/95/04/388639504.db2.gz LDIHBCUOFNARME-MNOVXSKESA-N 2 0 213.325 -0.436 20 0 BBADRP C[C@]1(C[NH2+]C[C@H]2COCCN2)CC[NH2+]C1 ZINC000530246852 388639485 /nfs/dbraw/zinc/63/94/85/388639485.db2.gz LDIHBCUOFNARME-QWRGUYRKSA-N 2 0 213.325 -0.436 20 0 BBADRP C[C@@]1(C[NH2+]C[C@H]2COCCN2)CC[NH2+]C1 ZINC000530246853 388639749 /nfs/dbraw/zinc/63/97/49/388639749.db2.gz LDIHBCUOFNARME-WDEREUQCSA-N 2 0 213.325 -0.436 20 0 BBADRP C([NH2+]C[C@@H]1COCCN1)C1CC[NH2+]CC1 ZINC000530246899 324556981 /nfs/dbraw/zinc/55/69/81/324556981.db2.gz MMYKRZUDWVOJBC-LLVKDONJSA-N 2 0 213.325 -0.436 20 0 BBADRP C([NH2+]C[C@H]1COCCN1)C1CC[NH2+]CC1 ZINC000530246900 388639629 /nfs/dbraw/zinc/63/96/29/388639629.db2.gz MMYKRZUDWVOJBC-NSHDSACASA-N 2 0 213.325 -0.436 20 0 BBADRP C([NH2+]C[C@]12C[C@H]1C[NH2+]C2)[C@H]1COCCN1 ZINC000530247803 388639614 /nfs/dbraw/zinc/63/96/14/388639614.db2.gz ZKWKDYUUFLXJFV-GARJFASQSA-N 2 0 211.309 -0.826 20 0 BBADRP C([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)[C@H]1COCCN1 ZINC000530247805 388639441 /nfs/dbraw/zinc/63/94/41/388639441.db2.gz ZKWKDYUUFLXJFV-VWYCJHECSA-N 2 0 211.309 -0.826 20 0 BBADRP CN(CCC[NH+](C)C)C(=O)[C@H]1CN(C)CCO1 ZINC000540514812 388807481 /nfs/dbraw/zinc/80/74/81/388807481.db2.gz ZYYRRSWCKFGCHJ-LLVKDONJSA-N 2 0 243.351 -0.273 20 0 BBADRP CN(CCC[NH+](C)C)C(=O)[C@@H]1CN(C)CCO1 ZINC000540514813 388808353 /nfs/dbraw/zinc/80/83/53/388808353.db2.gz ZYYRRSWCKFGCHJ-NSHDSACASA-N 2 0 243.351 -0.273 20 0 BBADRP Cn1cncc1CC(=O)NCC[NH+](C)C ZINC000547603315 325373866 /nfs/dbraw/zinc/37/38/66/325373866.db2.gz UAPBMAGBZLMJLI-UHFFFAOYSA-N 2 0 210.281 -0.360 20 0 BBADRP Cn1cncc1CC(=O)N1CCN(C)CC1 ZINC000548254934 388523554 /nfs/dbraw/zinc/52/35/54/388523554.db2.gz VYOMFHYJIJCCPW-UHFFFAOYSA-N 2 0 222.292 -0.263 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000551848852 388643181 /nfs/dbraw/zinc/64/31/81/388643181.db2.gz UGWZIXUHWBQMFY-LLVKDONJSA-N 2 0 243.351 -0.368 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000551848853 388643527 /nfs/dbraw/zinc/64/35/27/388643527.db2.gz UGWZIXUHWBQMFY-NSHDSACASA-N 2 0 243.351 -0.368 20 0 BBADRP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000551953349 388649344 /nfs/dbraw/zinc/64/93/44/388649344.db2.gz TVYXCFAVYHBNSB-SDDRHHMPSA-N 2 0 237.347 -0.042 20 0 BBADRP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000551953350 388649326 /nfs/dbraw/zinc/64/93/26/388649326.db2.gz TVYXCFAVYHBNSB-UTUOFQBUSA-N 2 0 237.347 -0.042 20 0 BBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552436898 388708489 /nfs/dbraw/zinc/70/84/89/388708489.db2.gz CNMIBOYQECHRDU-QWRGUYRKSA-N 2 0 243.351 -0.539 20 0 BBADRP CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000556723907 384464233 /nfs/dbraw/zinc/46/42/33/384464233.db2.gz FVRSFTWHQVRNQF-JTQLQIEISA-N 2 0 213.325 -0.042 20 0 BBADRP CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000556723908 384465478 /nfs/dbraw/zinc/46/54/78/384465478.db2.gz FVRSFTWHQVRNQF-SNVBAGLBSA-N 2 0 213.325 -0.042 20 0 BBADRP NC(=O)NC(=O)CC[NH2+]CCC[NH+]1CCCC1 ZINC000558657327 398186470 /nfs/dbraw/zinc/18/64/70/398186470.db2.gz ZTTCHZOGECQFTA-UHFFFAOYSA-N 2 0 242.323 -0.353 20 0 BBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH3+] ZINC000561203835 384561553 /nfs/dbraw/zinc/56/15/53/384561553.db2.gz RXYMMAINNKWPIX-SECBINFHSA-N 2 0 214.313 -0.319 20 0 BBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH3+] ZINC000561203836 384562162 /nfs/dbraw/zinc/56/21/62/384562162.db2.gz RXYMMAINNKWPIX-VIFPVBQESA-N 2 0 214.313 -0.319 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562809282 323031038 /nfs/dbraw/zinc/03/10/38/323031038.db2.gz KJGBEUQOQHGOOG-FBDQPXRJSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562809283 323031113 /nfs/dbraw/zinc/03/11/13/323031113.db2.gz KJGBEUQOQHGOOG-NZFPMDFQSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562809284 323031055 /nfs/dbraw/zinc/03/10/55/323031055.db2.gz KJGBEUQOQHGOOG-QUARPLMYSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000562809285 323031088 /nfs/dbraw/zinc/03/10/88/323031088.db2.gz KJGBEUQOQHGOOG-UVOCVTCTSA-N 2 0 223.320 -0.292 20 0 BBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH2+]C ZINC000562814944 323031494 /nfs/dbraw/zinc/03/14/94/323031494.db2.gz OZKPZOLNVOWQOM-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH2+]C ZINC000562814947 323031412 /nfs/dbraw/zinc/03/14/12/323031412.db2.gz OZKPZOLNVOWQOM-SNVBAGLBSA-N 2 0 228.340 -0.059 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000562973583 323077585 /nfs/dbraw/zinc/07/75/85/323077585.db2.gz OCLSSBCWZYHIKY-GXSJLCMTSA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000562973584 323077554 /nfs/dbraw/zinc/07/75/54/323077554.db2.gz OCLSSBCWZYHIKY-KOLCDFICSA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000562973585 323077588 /nfs/dbraw/zinc/07/75/88/323077588.db2.gz OCLSSBCWZYHIKY-MWLCHTKSSA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000562973586 323077595 /nfs/dbraw/zinc/07/75/95/323077595.db2.gz OCLSSBCWZYHIKY-ONGXEEELSA-N 2 0 229.324 -0.534 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000562973696 323077659 /nfs/dbraw/zinc/07/76/59/323077659.db2.gz RRPLHPPRRVTMHG-SECBINFHSA-N 2 0 227.308 -0.685 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000562973731 323077639 /nfs/dbraw/zinc/07/76/39/323077639.db2.gz XTGIUKVRWXWIQN-IVZWLZJFSA-N 2 0 229.324 -0.312 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000562973732 323077664 /nfs/dbraw/zinc/07/76/64/323077664.db2.gz XTGIUKVRWXWIQN-KXUCPTDWSA-N 2 0 229.324 -0.312 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000562973733 323077636 /nfs/dbraw/zinc/07/76/36/323077636.db2.gz XTGIUKVRWXWIQN-LPEHRKFASA-N 2 0 229.324 -0.312 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000562973734 323077650 /nfs/dbraw/zinc/07/76/50/323077650.db2.gz XTGIUKVRWXWIQN-OPRDCNLKSA-N 2 0 229.324 -0.312 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000562973742 323077551 /nfs/dbraw/zinc/07/75/51/323077551.db2.gz YLLZISDOBNKRBV-CMPLNLGQSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000562973743 323077622 /nfs/dbraw/zinc/07/76/22/323077622.db2.gz YLLZISDOBNKRBV-JQWIXIFHSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000562973744 323077615 /nfs/dbraw/zinc/07/76/15/323077615.db2.gz YLLZISDOBNKRBV-PWSUYJOCSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000562973745 323077643 /nfs/dbraw/zinc/07/76/43/323077643.db2.gz YLLZISDOBNKRBV-ZYHUDNBSSA-N 2 0 241.335 -0.567 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@]12C[C@H]1CC[NH2+]2 ZINC000562975138 323077679 /nfs/dbraw/zinc/07/76/79/323077679.db2.gz CUKPMUODUXFMFV-FOGDFJRCSA-N 2 0 223.320 -0.003 20 0 BBADRP CN(C(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000562975508 323077715 /nfs/dbraw/zinc/07/77/15/323077715.db2.gz FFJASWABSKVYRD-KKZNHRDASA-N 2 0 209.293 -0.441 20 0 BBADRP CN(C(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000562975509 323077718 /nfs/dbraw/zinc/07/77/18/323077718.db2.gz FFJASWABSKVYRD-YWVKMMECSA-N 2 0 209.293 -0.441 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000562976186 323077705 /nfs/dbraw/zinc/07/77/05/323077705.db2.gz ZYBHCOIBMULGTQ-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000562976187 323077681 /nfs/dbraw/zinc/07/76/81/323077681.db2.gz ZYBHCOIBMULGTQ-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000562976188 323077716 /nfs/dbraw/zinc/07/77/16/323077716.db2.gz ZYBHCOIBMULGTQ-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000562976189 323077712 /nfs/dbraw/zinc/07/77/12/323077712.db2.gz ZYBHCOIBMULGTQ-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CN(C(=O)CC1(C[NH3+])CC1)[C@@H]1CC[NH2+]C1 ZINC000562976214 323077674 /nfs/dbraw/zinc/07/76/74/323077674.db2.gz DGJCMIJJXJOXLY-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP CN(C(=O)CC1(C[NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC000562976215 323077741 /nfs/dbraw/zinc/07/77/41/323077741.db2.gz DGJCMIJJXJOXLY-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000562979106 323077787 /nfs/dbraw/zinc/07/77/87/323077787.db2.gz HRAYFZFIEOQROL-CMPLNLGQSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000562979107 323077796 /nfs/dbraw/zinc/07/77/96/323077796.db2.gz HRAYFZFIEOQROL-JQWIXIFHSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000562979108 323077789 /nfs/dbraw/zinc/07/77/89/323077789.db2.gz HRAYFZFIEOQROL-PWSUYJOCSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000562979109 323077805 /nfs/dbraw/zinc/07/78/05/323077805.db2.gz HRAYFZFIEOQROL-ZYHUDNBSSA-N 2 0 243.351 -0.273 20 0 BBADRP COC[C@]1(CNC(=O)C[NH2+]C2CC2)CCC[NH2+]1 ZINC000562979345 323077780 /nfs/dbraw/zinc/07/77/80/323077780.db2.gz PAKJRWAGTNGVHV-GFCCVEGCSA-N 2 0 241.335 -0.377 20 0 BBADRP COC[C@@]1(CNC(=O)C[NH2+]C2CC2)CCC[NH2+]1 ZINC000562979350 323077793 /nfs/dbraw/zinc/07/77/93/323077793.db2.gz PAKJRWAGTNGVHV-LBPRGKRZSA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(NC(=O)CCOC2C[NH2+]C2)CC[NH2+]CC1 ZINC000562980318 323077917 /nfs/dbraw/zinc/07/79/17/323077917.db2.gz TUUMJENJIAQUSD-UHFFFAOYSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000562993538 323078569 /nfs/dbraw/zinc/07/85/69/323078569.db2.gz IYYJMFPDDSQBFN-NEPJUHHUSA-N 2 0 229.368 -0.017 20 0 BBADRP CC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000562993539 323078589 /nfs/dbraw/zinc/07/85/89/323078589.db2.gz IYYJMFPDDSQBFN-RYUDHWBXSA-N 2 0 229.368 -0.017 20 0 BBADRP C[C@H](CC[NH+](C)C)[NH2+]CCC(=O)NC(N)=O ZINC000562993760 323078620 /nfs/dbraw/zinc/07/86/20/323078620.db2.gz NNDPFRFHBJCVPB-MRVPVSSYSA-N 2 0 230.312 -0.499 20 0 BBADRP C[C@@H](CC[NH+](C)C)[NH2+]CCC(=O)NC(N)=O ZINC000562993761 323078557 /nfs/dbraw/zinc/07/85/57/323078557.db2.gz NNDPFRFHBJCVPB-QMMMGPOBSA-N 2 0 230.312 -0.499 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000563075002 347576765 /nfs/dbraw/zinc/57/67/65/347576765.db2.gz YYUKLEMOQQOYKL-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000563075003 347576858 /nfs/dbraw/zinc/57/68/58/347576858.db2.gz YYUKLEMOQQOYKL-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[NH2+]CC(=O)NCC[NH2+]C(C)(C)C ZINC000563081444 348592882 /nfs/dbraw/zinc/59/28/82/348592882.db2.gz CYHPFWVHYOESLM-UHFFFAOYSA-N 2 0 231.340 -0.273 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000563084760 323090132 /nfs/dbraw/zinc/09/01/32/323090132.db2.gz LDHDCPUZLPTPOB-SNVBAGLBSA-N 2 0 223.320 -0.050 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563088640 398068294 /nfs/dbraw/zinc/06/82/94/398068294.db2.gz YGOVXGUACYBKPC-GHMZBOCLSA-N 2 0 241.335 -0.710 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563088641 349467475 /nfs/dbraw/zinc/46/74/75/349467475.db2.gz YGOVXGUACYBKPC-MNOVXSKESA-N 2 0 241.335 -0.710 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563088642 349467314 /nfs/dbraw/zinc/46/73/14/349467314.db2.gz YGOVXGUACYBKPC-QWRGUYRKSA-N 2 0 241.335 -0.710 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563088643 349467455 /nfs/dbraw/zinc/46/74/55/349467455.db2.gz YGOVXGUACYBKPC-WDEREUQCSA-N 2 0 241.335 -0.710 20 0 BBADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[NH3+] ZINC000563095270 323092118 /nfs/dbraw/zinc/09/21/18/323092118.db2.gz OEWAOZRNWQLLRA-LLVKDONJSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[NH3+] ZINC000563095271 323092132 /nfs/dbraw/zinc/09/21/32/323092132.db2.gz OEWAOZRNWQLLRA-NSHDSACASA-N 2 0 243.351 -0.146 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000563097066 323092125 /nfs/dbraw/zinc/09/21/25/323092125.db2.gz XPJFFKMTSASCTQ-MRVPVSSYSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000563097067 323092049 /nfs/dbraw/zinc/09/20/49/323092049.db2.gz XPJFFKMTSASCTQ-QMMMGPOBSA-N 2 0 211.309 -0.005 20 0 BBADRP CC1(C(=O)NCC[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC000563100352 323092425 /nfs/dbraw/zinc/09/24/25/323092425.db2.gz IVSRXLFCYIJCGX-SECBINFHSA-N 2 0 211.309 -0.288 20 0 BBADRP CC1(C(=O)NCC[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC000563100353 323092342 /nfs/dbraw/zinc/09/23/42/323092342.db2.gz IVSRXLFCYIJCGX-VIFPVBQESA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000563101680 323092480 /nfs/dbraw/zinc/09/24/80/323092480.db2.gz LXZFTOSZEYJSRJ-GXSJLCMTSA-N 2 0 243.351 -0.288 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000563101681 323092376 /nfs/dbraw/zinc/09/23/76/323092376.db2.gz LXZFTOSZEYJSRJ-KOLCDFICSA-N 2 0 243.351 -0.288 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000563101682 323092392 /nfs/dbraw/zinc/09/23/92/323092392.db2.gz LXZFTOSZEYJSRJ-MWLCHTKSSA-N 2 0 243.351 -0.288 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000563101683 323092485 /nfs/dbraw/zinc/09/24/85/323092485.db2.gz LXZFTOSZEYJSRJ-ONGXEEELSA-N 2 0 243.351 -0.288 20 0 BBADRP C[C@@H]([NH3+])C1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000563101897 323092474 /nfs/dbraw/zinc/09/24/74/323092474.db2.gz SLERYFIJOYVGRH-SECBINFHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])C1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000563101996 323092390 /nfs/dbraw/zinc/09/23/90/323092390.db2.gz SLERYFIJOYVGRH-VIFPVBQESA-N 2 0 241.335 -0.439 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000563103292 350057190 /nfs/dbraw/zinc/05/71/90/350057190.db2.gz BFEPINOBUKCZIR-AEJSXWLSSA-N 2 0 229.324 -0.454 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000563103293 350056695 /nfs/dbraw/zinc/05/66/95/350056695.db2.gz BFEPINOBUKCZIR-BBBLOLIVSA-N 2 0 229.324 -0.454 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000563103294 350056586 /nfs/dbraw/zinc/05/65/86/350056586.db2.gz BFEPINOBUKCZIR-GUBZILKMSA-N 2 0 229.324 -0.454 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000563103295 350056576 /nfs/dbraw/zinc/05/65/76/350056576.db2.gz BFEPINOBUKCZIR-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000563106108 323092721 /nfs/dbraw/zinc/09/27/21/323092721.db2.gz RSQNEHRMCYRDBQ-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000563106855 350062758 /nfs/dbraw/zinc/06/27/58/350062758.db2.gz PKPIVRSELCXLQK-JTQLQIEISA-N 2 0 229.324 -0.580 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563106856 350062822 /nfs/dbraw/zinc/06/28/22/350062822.db2.gz PKPIVRSELCXLQK-SNVBAGLBSA-N 2 0 229.324 -0.580 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000563106894 350062435 /nfs/dbraw/zinc/06/24/35/350062435.db2.gz TUEVKHXDWMZMIX-SECBINFHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000563106895 350062852 /nfs/dbraw/zinc/06/28/52/350062852.db2.gz TUEVKHXDWMZMIX-VIFPVBQESA-N 2 0 227.308 -0.685 20 0 BBADRP C[NH2+]CCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000563106953 350062713 /nfs/dbraw/zinc/06/27/13/350062713.db2.gz FNKVCXJBHVQXRV-UHFFFAOYSA-N 2 0 222.292 -0.120 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000563107046 323092770 /nfs/dbraw/zinc/09/27/70/323092770.db2.gz QTVZXZULBQQDDM-SECBINFHSA-N 2 0 229.324 -0.262 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000563107047 323092736 /nfs/dbraw/zinc/09/27/36/323092736.db2.gz QTVZXZULBQQDDM-VIFPVBQESA-N 2 0 229.324 -0.262 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000563107639 323092776 /nfs/dbraw/zinc/09/27/76/323092776.db2.gz VHIWULJHSYTLCX-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000563107642 323092797 /nfs/dbraw/zinc/09/27/97/323092797.db2.gz VHIWULJHSYTLCX-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP [NH3+][C@H](CNC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000563109376 323092980 /nfs/dbraw/zinc/09/29/80/323092980.db2.gz ARWIBHUZGWMOJG-LLVKDONJSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H](CNC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000563109377 323093101 /nfs/dbraw/zinc/09/31/01/323093101.db2.gz ARWIBHUZGWMOJG-NSHDSACASA-N 2 0 241.335 -0.392 20 0 BBADRP C[NH2+]CC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000563109592 323092981 /nfs/dbraw/zinc/09/29/81/323092981.db2.gz QYSLWRKLSGGVKG-LLVKDONJSA-N 2 0 234.303 -0.226 20 0 BBADRP C[NH2+]CC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000563109593 323093021 /nfs/dbraw/zinc/09/30/21/323093021.db2.gz QYSLWRKLSGGVKG-NSHDSACASA-N 2 0 234.303 -0.226 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000563109864 323092962 /nfs/dbraw/zinc/09/29/62/323092962.db2.gz FIAJMWLKWWKIGZ-PSASIEDQSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000563109865 323092877 /nfs/dbraw/zinc/09/28/77/323092877.db2.gz FIAJMWLKWWKIGZ-SCZZXKLOSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000563109866 323092906 /nfs/dbraw/zinc/09/29/06/323092906.db2.gz FIAJMWLKWWKIGZ-WCBMZHEXSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000563109867 323092857 /nfs/dbraw/zinc/09/28/57/323092857.db2.gz FIAJMWLKWWKIGZ-WPRPVWTQSA-N 2 0 227.308 -0.687 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000563113737 323093137 /nfs/dbraw/zinc/09/31/37/323093137.db2.gz UQRPEBIUSWLYMX-SECBINFHSA-N 2 0 245.323 -0.665 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000563113738 323093154 /nfs/dbraw/zinc/09/31/54/323093154.db2.gz UQRPEBIUSWLYMX-VIFPVBQESA-N 2 0 245.323 -0.665 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000563114828 323093297 /nfs/dbraw/zinc/09/32/97/323093297.db2.gz DZGOKABFRDYUBJ-GHMZBOCLSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000563114829 323093309 /nfs/dbraw/zinc/09/33/09/323093309.db2.gz DZGOKABFRDYUBJ-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000563114830 323093378 /nfs/dbraw/zinc/09/33/78/323093378.db2.gz DZGOKABFRDYUBJ-QWRGUYRKSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000563114831 323093444 /nfs/dbraw/zinc/09/34/44/323093444.db2.gz DZGOKABFRDYUBJ-WDEREUQCSA-N 2 0 241.335 -0.392 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000563114990 323093409 /nfs/dbraw/zinc/09/34/09/323093409.db2.gz IMJMFZXOLGITQY-PHDIDXHHSA-N 2 0 209.240 -0.178 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000563114992 323093496 /nfs/dbraw/zinc/09/34/96/323093496.db2.gz IMJMFZXOLGITQY-RITPCOANSA-N 2 0 209.240 -0.178 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000563114995 323093455 /nfs/dbraw/zinc/09/34/55/323093455.db2.gz TUUKIZITPQYAHU-BECAKDQMSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000563115846 323093479 /nfs/dbraw/zinc/09/34/79/323093479.db2.gz PSDPYBZHCMUBGS-NEPJUHHUSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000563115847 323093473 /nfs/dbraw/zinc/09/34/73/323093473.db2.gz PSDPYBZHCMUBGS-NWDGAFQWSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000563115848 323093406 /nfs/dbraw/zinc/09/34/06/323093406.db2.gz PSDPYBZHCMUBGS-RYUDHWBXSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000563115849 323093365 /nfs/dbraw/zinc/09/33/65/323093365.db2.gz PSDPYBZHCMUBGS-VXGBXAGGSA-N 2 0 249.314 -0.209 20 0 BBADRP COC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000563116061 323093436 /nfs/dbraw/zinc/09/34/36/323093436.db2.gz CDWKCBNHCBLIKN-FOGDFJRCSA-N 2 0 241.335 -0.582 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000563116068 323093374 /nfs/dbraw/zinc/09/33/74/323093374.db2.gz CFZQMPGGMVPNHQ-NXEZZACHSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000563116069 323093427 /nfs/dbraw/zinc/09/34/27/323093427.db2.gz CFZQMPGGMVPNHQ-UWVGGRQHSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000563116070 323093402 /nfs/dbraw/zinc/09/34/02/323093402.db2.gz CFZQMPGGMVPNHQ-VHSXEESVSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000563116071 323093384 /nfs/dbraw/zinc/09/33/84/323093384.db2.gz CFZQMPGGMVPNHQ-ZJUUUORDSA-N 2 0 229.324 -0.454 20 0 BBADRP [NH3+]CCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000563116217 323093351 /nfs/dbraw/zinc/09/33/51/323093351.db2.gz ZVDSTAOXNKYCDC-RXMQYKEDSA-N 2 0 213.203 -0.269 20 0 BBADRP [NH3+]CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000563116224 323093237 /nfs/dbraw/zinc/09/32/37/323093237.db2.gz ZVDSTAOXNKYCDC-YFKPBYRVSA-N 2 0 213.203 -0.269 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000563116390 323093261 /nfs/dbraw/zinc/09/32/61/323093261.db2.gz GYXWTYDZFZODSA-DBIOUOCHSA-N 2 0 241.335 -0.264 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)O1 ZINC000563116393 323093362 /nfs/dbraw/zinc/09/33/62/323093362.db2.gz GYXWTYDZFZODSA-MMWGEVLESA-N 2 0 241.335 -0.264 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000563116395 323093349 /nfs/dbraw/zinc/09/33/49/323093349.db2.gz GYXWTYDZFZODSA-YTWAJWBKSA-N 2 0 241.335 -0.264 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)O1 ZINC000563116397 323093262 /nfs/dbraw/zinc/09/32/62/323093262.db2.gz GYXWTYDZFZODSA-ZDCRXTMVSA-N 2 0 241.335 -0.264 20 0 BBADRP COCC[NH2+]CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000563116464 323093244 /nfs/dbraw/zinc/09/32/44/323093244.db2.gz IKGAWZYZIFMBIK-JTQLQIEISA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[NH2+]CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000563116466 323093332 /nfs/dbraw/zinc/09/33/32/323093332.db2.gz IKGAWZYZIFMBIK-SNVBAGLBSA-N 2 0 229.324 -0.582 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000563116782 323093350 /nfs/dbraw/zinc/09/33/50/323093350.db2.gz NEHJYTAOGRCCSF-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000563116783 323093286 /nfs/dbraw/zinc/09/32/86/323093286.db2.gz NEHJYTAOGRCCSF-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000563119044 323093992 /nfs/dbraw/zinc/09/39/92/323093992.db2.gz MFTIOEJUYKBYDW-HTQZYQBOSA-N 2 0 203.286 -0.926 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000563119045 323093996 /nfs/dbraw/zinc/09/39/96/323093996.db2.gz MFTIOEJUYKBYDW-JGVFFNPUSA-N 2 0 203.286 -0.926 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000563119046 323093968 /nfs/dbraw/zinc/09/39/68/323093968.db2.gz MFTIOEJUYKBYDW-SFYZADRCSA-N 2 0 203.286 -0.926 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000563119047 323093917 /nfs/dbraw/zinc/09/39/17/323093917.db2.gz MFTIOEJUYKBYDW-YUMQZZPRSA-N 2 0 203.286 -0.926 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000563119354 323093981 /nfs/dbraw/zinc/09/39/81/323093981.db2.gz RYNIOBVNMVNKQI-CKEKPRIKSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000563119355 323093925 /nfs/dbraw/zinc/09/39/25/323093925.db2.gz RYNIOBVNMVNKQI-FTYOSLGDSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000563119356 323093963 /nfs/dbraw/zinc/09/39/63/323093963.db2.gz RYNIOBVNMVNKQI-KBIXCLLPSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000563119357 323093907 /nfs/dbraw/zinc/09/39/07/323093907.db2.gz RYNIOBVNMVNKQI-WYOJIJJFSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000563119424 323094019 /nfs/dbraw/zinc/09/40/19/323094019.db2.gz VAUIIVBTGNMGMO-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000563119425 323093893 /nfs/dbraw/zinc/09/38/93/323093893.db2.gz VAUIIVBTGNMGMO-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000563152638 323095759 /nfs/dbraw/zinc/09/57/59/323095759.db2.gz RYMRDPRUTPAZMX-CYBMUJFWSA-N 2 0 240.395 -0.035 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000563152639 323095772 /nfs/dbraw/zinc/09/57/72/323095772.db2.gz RYMRDPRUTPAZMX-ZDUSSCGKSA-N 2 0 240.395 -0.035 20 0 BBADRP COCC[NH2+]CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000563152972 323095969 /nfs/dbraw/zinc/09/59/69/323095969.db2.gz ZHGNNRNYQWBIGS-UHFFFAOYSA-N 2 0 231.340 -0.334 20 0 BBADRP C[C@@H]([NH3+])CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000563153309 323095954 /nfs/dbraw/zinc/09/59/54/323095954.db2.gz PPOOBIJECVQMII-NXEZZACHSA-N 2 0 228.340 -0.880 20 0 BBADRP C[C@H]([NH3+])CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000563153310 323095871 /nfs/dbraw/zinc/09/58/71/323095871.db2.gz PPOOBIJECVQMII-UWVGGRQHSA-N 2 0 228.340 -0.880 20 0 BBADRP C[C@H]([NH3+])CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000563153311 323095900 /nfs/dbraw/zinc/09/59/00/323095900.db2.gz PPOOBIJECVQMII-VHSXEESVSA-N 2 0 228.340 -0.880 20 0 BBADRP C[C@@H]([NH3+])CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000563153312 323095959 /nfs/dbraw/zinc/09/59/59/323095959.db2.gz PPOOBIJECVQMII-ZJUUUORDSA-N 2 0 228.340 -0.880 20 0 BBADRP CN1CCN(C(=O)CCN2CC[C@@H]([NH3+])C2)CC1 ZINC000563153432 323095933 /nfs/dbraw/zinc/09/59/33/323095933.db2.gz STDXREJQCMJMEH-LLVKDONJSA-N 3 0 240.351 -0.817 20 0 BBADRP [NH3+]CCOCCN1CCCO[C@@H](C[NH3+])C1 ZINC000563154648 323095704 /nfs/dbraw/zinc/09/57/04/323095704.db2.gz RZQZEQFGBQPTOE-JTQLQIEISA-N 2 0 217.313 -0.989 20 0 BBADRP [NH3+]CCOCCN1CCCO[C@H](C[NH3+])C1 ZINC000563154649 323095701 /nfs/dbraw/zinc/09/57/01/323095701.db2.gz RZQZEQFGBQPTOE-SNVBAGLBSA-N 2 0 217.313 -0.989 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC[C@H]1[NH3+] ZINC000563156231 323096102 /nfs/dbraw/zinc/09/61/02/323096102.db2.gz HESAZZKDQYENER-BFLSOPEQSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC[C@@H]1[NH3+] ZINC000563156232 323096118 /nfs/dbraw/zinc/09/61/18/323096118.db2.gz HESAZZKDQYENER-SVDPJWKOSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC[C@@H]1[NH3+] ZINC000563156233 323096056 /nfs/dbraw/zinc/09/60/56/323096056.db2.gz HESAZZKDQYENER-WYFGTUCQSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC[C@H]1[NH3+] ZINC000563156234 323096068 /nfs/dbraw/zinc/09/60/68/323096068.db2.gz HESAZZKDQYENER-XNDJQWLSSA-N 2 0 223.320 -0.066 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000563156235 323096059 /nfs/dbraw/zinc/09/60/59/323096059.db2.gz HUDCMVJCVWAYSA-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000563156236 323096038 /nfs/dbraw/zinc/09/60/38/323096038.db2.gz HUDCMVJCVWAYSA-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000563156828 323096200 /nfs/dbraw/zinc/09/62/00/323096200.db2.gz SZJSBUWHSJVRFX-KKZNHRDASA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000563156831 323096224 /nfs/dbraw/zinc/09/62/24/323096224.db2.gz SZJSBUWHSJVRFX-NGZCFLSTSA-N 2 0 211.309 -0.290 20 0 BBADRP CC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000563158968 323096908 /nfs/dbraw/zinc/09/69/08/323096908.db2.gz ATJKPFPAOGZCEX-CMPLNLGQSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000563158970 323096874 /nfs/dbraw/zinc/09/68/74/323096874.db2.gz ATJKPFPAOGZCEX-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000563158972 323096870 /nfs/dbraw/zinc/09/68/70/323096870.db2.gz ATJKPFPAOGZCEX-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000563158973 323096925 /nfs/dbraw/zinc/09/69/25/323096925.db2.gz ATJKPFPAOGZCEX-ZYHUDNBSSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000563159288 323097066 /nfs/dbraw/zinc/09/70/66/323097066.db2.gz OBOSNGOFRYFORH-AEJSXWLSSA-N 2 0 229.324 -0.312 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000563159289 323097061 /nfs/dbraw/zinc/09/70/61/323097061.db2.gz OBOSNGOFRYFORH-BBBLOLIVSA-N 2 0 229.324 -0.312 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000563159290 323097017 /nfs/dbraw/zinc/09/70/17/323097017.db2.gz OBOSNGOFRYFORH-GUBZILKMSA-N 2 0 229.324 -0.312 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000563159291 323097055 /nfs/dbraw/zinc/09/70/55/323097055.db2.gz OBOSNGOFRYFORH-UTLUCORTSA-N 2 0 229.324 -0.312 20 0 BBADRP C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]C1 ZINC000563161933 323097838 /nfs/dbraw/zinc/09/78/38/323097838.db2.gz CFNADKQNHVXXDC-FYLLDIAZSA-N 2 0 223.320 -0.290 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]C1 ZINC000563161934 323097851 /nfs/dbraw/zinc/09/78/51/323097851.db2.gz CFNADKQNHVXXDC-XNDJQWLSSA-N 2 0 223.320 -0.290 20 0 BBADRP C[C@]1(F)CNCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563162273 350373049 /nfs/dbraw/zinc/37/30/49/350373049.db2.gz KQDZSEKNJNNJHQ-NGZCFLSTSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@]1(F)CNCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563162274 350373268 /nfs/dbraw/zinc/37/32/68/350373268.db2.gz KQDZSEKNJNNJHQ-WCABBAIRSA-N 2 0 229.299 -0.116 20 0 BBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563162430 323097944 /nfs/dbraw/zinc/09/79/44/323097944.db2.gz FRESMEJQIOTHIE-DCQANWLSSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563162444 323098025 /nfs/dbraw/zinc/09/80/25/323098025.db2.gz FRESMEJQIOTHIE-NOHGZBONSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C(N1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563162446 323097957 /nfs/dbraw/zinc/09/79/57/323097957.db2.gz FRESMEJQIOTHIE-UZWSLXQKSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C(N1CC[C@H]2[NH2+]CC[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563162449 323097946 /nfs/dbraw/zinc/09/79/46/323097946.db2.gz FRESMEJQIOTHIE-WGBDABJCSA-N 2 0 235.331 -0.051 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC(C)(C)CC[NH3+] ZINC000563169231 323099745 /nfs/dbraw/zinc/09/97/45/323099745.db2.gz FXOMIMUYOIGGOV-MRVPVSSYSA-N 2 0 217.313 -0.406 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC(C)(C)CC[NH3+] ZINC000563169234 323099758 /nfs/dbraw/zinc/09/97/58/323099758.db2.gz FXOMIMUYOIGGOV-QMMMGPOBSA-N 2 0 217.313 -0.406 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000563267944 323107203 /nfs/dbraw/zinc/10/72/03/323107203.db2.gz FECMNFQIVSWUNQ-GRYCIOLGSA-N 2 0 227.352 -0.217 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000563267945 323107270 /nfs/dbraw/zinc/10/72/70/323107270.db2.gz FECMNFQIVSWUNQ-TUAOUCFPSA-N 2 0 227.352 -0.217 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](C)Cn1cccn1 ZINC000563271146 323107231 /nfs/dbraw/zinc/10/72/31/323107231.db2.gz MGDWSWJRNJAXCU-GHMZBOCLSA-N 2 0 226.324 -0.168 20 0 BBADRP C[NH2+]C[C@](C)(O)C[NH2+][C@H](C)Cn1cccn1 ZINC000563271150 323107195 /nfs/dbraw/zinc/10/71/95/323107195.db2.gz MGDWSWJRNJAXCU-MNOVXSKESA-N 2 0 226.324 -0.168 20 0 BBADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000563271152 323107198 /nfs/dbraw/zinc/10/71/98/323107198.db2.gz MGDWSWJRNJAXCU-QWRGUYRKSA-N 2 0 226.324 -0.168 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000563271153 323107190 /nfs/dbraw/zinc/10/71/90/323107190.db2.gz MGDWSWJRNJAXCU-WDEREUQCSA-N 2 0 226.324 -0.168 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000563411922 323124825 /nfs/dbraw/zinc/12/48/25/323124825.db2.gz LKCFNQYJVHZHJO-LPEHRKFASA-N 2 0 211.309 -0.053 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000563413129 323124893 /nfs/dbraw/zinc/12/48/93/323124893.db2.gz XRRGMGMNDWRYFQ-JTQLQIEISA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC[C@H]1C[NH2+]CCO1 ZINC000563413130 323124874 /nfs/dbraw/zinc/12/48/74/323124874.db2.gz XRRGMGMNDWRYFQ-SNVBAGLBSA-N 2 0 227.308 -0.767 20 0 BBADRP [NH3+]CC12CCC(CC1)CN2C(=O)C1C[NH2+]C1 ZINC000563421819 323124034 /nfs/dbraw/zinc/12/40/34/323124034.db2.gz UIAHNJICPOXAPZ-UHFFFAOYSA-N 2 0 223.320 -0.064 20 0 BBADRP CN(CCC[NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000563450852 323126383 /nfs/dbraw/zinc/12/63/83/323126383.db2.gz JBJUJFKYYZYUFJ-JTQLQIEISA-N 2 0 228.340 -0.024 20 0 BBADRP CN(CCC[NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000563450853 323126430 /nfs/dbraw/zinc/12/64/30/323126430.db2.gz JBJUJFKYYZYUFJ-SNVBAGLBSA-N 2 0 228.340 -0.024 20 0 BBADRP CCC[NH2+]CCNC(=O)N(C)CCC[NH3+] ZINC000563451388 323126580 /nfs/dbraw/zinc/12/65/80/323126580.db2.gz MEJWRWYTBJWPMN-UHFFFAOYSA-N 2 0 216.329 -0.024 20 0 BBADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000563451743 323126559 /nfs/dbraw/zinc/12/65/59/323126559.db2.gz NCZVFTAUBCBWSM-JTQLQIEISA-N 2 0 244.339 -0.774 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000563452056 323126588 /nfs/dbraw/zinc/12/65/88/323126588.db2.gz QWLOABXQFITHQX-ZJUUUORDSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000563454095 323127156 /nfs/dbraw/zinc/12/71/56/323127156.db2.gz OKVHUXMNXCIIIT-AXFHLTTASA-N 2 0 238.335 -0.401 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000563454098 323127107 /nfs/dbraw/zinc/12/71/07/323127107.db2.gz OKVHUXMNXCIIIT-DCAQKATOSA-N 2 0 238.335 -0.401 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000563454100 323127052 /nfs/dbraw/zinc/12/70/52/323127052.db2.gz OKVHUXMNXCIIIT-MXWKQRLJSA-N 2 0 238.335 -0.401 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000563454102 323127159 /nfs/dbraw/zinc/12/71/59/323127159.db2.gz OKVHUXMNXCIIIT-VWYCJHECSA-N 2 0 238.335 -0.401 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000563454235 323127060 /nfs/dbraw/zinc/12/70/60/323127060.db2.gz QASYZXBPNGHHNC-CIUDSAMLSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000563454973 323127110 /nfs/dbraw/zinc/12/71/10/323127110.db2.gz YPBWYKHCJQUDMM-CIUDSAMLSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000563454974 323127147 /nfs/dbraw/zinc/12/71/47/323127147.db2.gz YPBWYKHCJQUDMM-HLTSFMKQSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000563454975 323127119 /nfs/dbraw/zinc/12/71/19/323127119.db2.gz YPBWYKHCJQUDMM-VGMNWLOBSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000563454978 323127132 /nfs/dbraw/zinc/12/71/32/323127132.db2.gz YPBWYKHCJQUDMM-YIZRAAEISA-N 2 0 214.313 -0.227 20 0 BBADRP COC[C@@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000563528870 323129108 /nfs/dbraw/zinc/12/91/08/323129108.db2.gz KSOKYIMVXZITHT-JBLDHEPKSA-N 2 0 241.335 -0.439 20 0 BBADRP COC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000563528871 323129132 /nfs/dbraw/zinc/12/91/32/323129132.db2.gz KSOKYIMVXZITHT-NHCYSSNCSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[NH2+]CC1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000563535128 323129465 /nfs/dbraw/zinc/12/94/65/323129465.db2.gz ZVLQBMSMHVPTFW-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000563535129 323129498 /nfs/dbraw/zinc/12/94/98/323129498.db2.gz ZYIZYMGWWNEXAK-DTWKUNHWSA-N 2 0 243.307 -0.913 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000563535130 323129398 /nfs/dbraw/zinc/12/93/98/323129398.db2.gz ZYIZYMGWWNEXAK-IUCAKERBSA-N 2 0 243.307 -0.913 20 0 BBADRP CC[NH2+]CC1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000563535131 323129487 /nfs/dbraw/zinc/12/94/87/323129487.db2.gz ZVLQBMSMHVPTFW-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563582834 323130541 /nfs/dbraw/zinc/13/05/41/323130541.db2.gz FWPYNRAKKISUKE-GHMZBOCLSA-N 2 0 242.367 -0.524 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000563582835 323130537 /nfs/dbraw/zinc/13/05/37/323130537.db2.gz FWPYNRAKKISUKE-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000563582836 323130469 /nfs/dbraw/zinc/13/04/69/323130469.db2.gz FWPYNRAKKISUKE-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563582837 323130523 /nfs/dbraw/zinc/13/05/23/323130523.db2.gz FWPYNRAKKISUKE-WDEREUQCSA-N 2 0 242.367 -0.524 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000563622857 323132190 /nfs/dbraw/zinc/13/21/90/323132190.db2.gz IYJFMSVURSIIPZ-NXEZZACHSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000563622862 323132129 /nfs/dbraw/zinc/13/21/29/323132129.db2.gz IYJFMSVURSIIPZ-UWVGGRQHSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000563622863 323132141 /nfs/dbraw/zinc/13/21/41/323132141.db2.gz IYJFMSVURSIIPZ-VHSXEESVSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000563622864 323132113 /nfs/dbraw/zinc/13/21/13/323132113.db2.gz IYJFMSVURSIIPZ-ZJUUUORDSA-N 2 0 227.308 -0.700 20 0 BBADRP C[C@@]1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCC[NH2+]C1 ZINC000563622947 323132103 /nfs/dbraw/zinc/13/21/03/323132103.db2.gz MJKNHGMHPXJOGM-HOSYDEDBSA-N 2 0 241.335 -0.785 20 0 BBADRP C[C@]1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCC[NH2+]C1 ZINC000563622954 323132170 /nfs/dbraw/zinc/13/21/70/323132170.db2.gz MJKNHGMHPXJOGM-UMNHJUIQSA-N 2 0 241.335 -0.785 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000563624776 323132194 /nfs/dbraw/zinc/13/21/94/323132194.db2.gz XRHHYHPOXQINJI-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000563624781 323132136 /nfs/dbraw/zinc/13/21/36/323132136.db2.gz XRHHYHPOXQINJI-MXWKQRLJSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000563710076 353334048 /nfs/dbraw/zinc/33/40/48/353334048.db2.gz VEELOZDKXPEXQO-IVZWLZJFSA-N 2 0 229.324 -0.537 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000563710086 353333857 /nfs/dbraw/zinc/33/38/57/353333857.db2.gz VEELOZDKXPEXQO-LPEHRKFASA-N 2 0 229.324 -0.537 20 0 BBADRP C[C@]1(CN(CC[NH3+])CCO)CC[NH2+]C1 ZINC000563718168 323175420 /nfs/dbraw/zinc/17/54/20/323175420.db2.gz WNKMTYXBQSLSBW-JTQLQIEISA-N 2 0 201.314 -0.761 20 0 BBADRP C[C@@]1(CN(CC[NH3+])CCO)CC[NH2+]C1 ZINC000563718173 323175437 /nfs/dbraw/zinc/17/54/37/323175437.db2.gz WNKMTYXBQSLSBW-SNVBAGLBSA-N 2 0 201.314 -0.761 20 0 BBADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563730483 323176545 /nfs/dbraw/zinc/17/65/45/323176545.db2.gz ILDIWTVHTKVXBL-CHWFTXMASA-N 2 0 223.320 -0.114 20 0 BBADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563730490 323176533 /nfs/dbraw/zinc/17/65/33/323176533.db2.gz ILDIWTVHTKVXBL-DBIOUOCHSA-N 2 0 223.320 -0.114 20 0 BBADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563730493 323176325 /nfs/dbraw/zinc/17/63/25/323176325.db2.gz ILDIWTVHTKVXBL-GWOFURMSSA-N 2 0 223.320 -0.114 20 0 BBADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563730495 323176370 /nfs/dbraw/zinc/17/63/70/323176370.db2.gz ILDIWTVHTKVXBL-ZNSHCXBVSA-N 2 0 223.320 -0.114 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]C1)NC1C[NH2+]C1 ZINC000563799280 323178164 /nfs/dbraw/zinc/17/81/64/323178164.db2.gz NDTNDJIPRUIPTC-SECBINFHSA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(NCC[C@@H]1CCC[NH2+]C1)NC1C[NH2+]C1 ZINC000563799287 323178196 /nfs/dbraw/zinc/17/81/96/323178196.db2.gz NDTNDJIPRUIPTC-VIFPVBQESA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563803796 323178388 /nfs/dbraw/zinc/17/83/88/323178388.db2.gz FUXPINOAKDYMRV-FOGDFJRCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563803797 323178324 /nfs/dbraw/zinc/17/83/24/323178324.db2.gz FUXPINOAKDYMRV-UMNHJUIQSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(C[NH2+]CC1CC1)NCCN1CC[NH2+]CC1 ZINC000563809689 323178478 /nfs/dbraw/zinc/17/84/78/323178478.db2.gz OFTBZDPRUARFSX-UHFFFAOYSA-N 2 0 240.351 -0.993 20 0 BBADRP CN(C(=O)C[NH2+]C1CC1)[C@@H](C[NH3+])C1CC1 ZINC000563810240 323178482 /nfs/dbraw/zinc/17/84/82/323178482.db2.gz KKZZHPYHZIXTPV-JTQLQIEISA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)C[NH2+]C1CC1)[C@H](C[NH3+])C1CC1 ZINC000563810244 323178498 /nfs/dbraw/zinc/17/84/98/323178498.db2.gz KKZZHPYHZIXTPV-SNVBAGLBSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000563884052 323183289 /nfs/dbraw/zinc/18/32/89/323183289.db2.gz LZFKDBTWLVPEKM-SECBINFHSA-N 2 0 249.318 -0.223 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000563952208 323333791 /nfs/dbraw/zinc/33/37/91/323333791.db2.gz SEHAWJRNGRFSQO-NXEZZACHSA-N 2 0 241.335 -0.378 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000563952215 323333329 /nfs/dbraw/zinc/33/33/29/323333329.db2.gz SEHAWJRNGRFSQO-UWVGGRQHSA-N 2 0 241.335 -0.378 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000563952216 323333705 /nfs/dbraw/zinc/33/37/05/323333705.db2.gz SEHAWJRNGRFSQO-VHSXEESVSA-N 2 0 241.335 -0.378 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000563952217 323333340 /nfs/dbraw/zinc/33/33/40/323333340.db2.gz SEHAWJRNGRFSQO-ZJUUUORDSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563952838 323333741 /nfs/dbraw/zinc/33/37/41/323333741.db2.gz UZKGUVCQJCUVIQ-AGIUHOORSA-N 2 0 241.379 -0.160 20 0 BBADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563952839 323333773 /nfs/dbraw/zinc/33/37/73/323333773.db2.gz UZKGUVCQJCUVIQ-FRRDWIJNSA-N 2 0 241.379 -0.160 20 0 BBADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563952840 323333319 /nfs/dbraw/zinc/33/33/19/323333319.db2.gz UZKGUVCQJCUVIQ-JHJVBQTASA-N 2 0 241.379 -0.160 20 0 BBADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563952841 323333817 /nfs/dbraw/zinc/33/38/17/323333817.db2.gz UZKGUVCQJCUVIQ-UPJWGTAASA-N 2 0 241.379 -0.160 20 0 BBADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563953605 323333516 /nfs/dbraw/zinc/33/35/16/323333516.db2.gz KYCXRJPDOLXQSM-AGIUHOORSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563953607 323333634 /nfs/dbraw/zinc/33/36/34/323333634.db2.gz KYCXRJPDOLXQSM-FRRDWIJNSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563953608 323333382 /nfs/dbraw/zinc/33/33/82/323333382.db2.gz KYCXRJPDOLXQSM-JHJVBQTASA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563953609 323333258 /nfs/dbraw/zinc/33/32/58/323333258.db2.gz KYCXRJPDOLXQSM-UPJWGTAASA-N 2 0 241.379 -0.017 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)COC1C[NH2+]C1 ZINC000563956777 323330807 /nfs/dbraw/zinc/33/08/07/323330807.db2.gz RQWCISNQLHBWKP-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)COC1C[NH2+]C1 ZINC000563956778 323330948 /nfs/dbraw/zinc/33/09/48/323330948.db2.gz RQWCISNQLHBWKP-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP COC1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]CC1 ZINC000563957506 323331186 /nfs/dbraw/zinc/33/11/86/323331186.db2.gz KZRZECIDABHWLF-UHFFFAOYSA-N 2 0 229.324 -0.392 20 0 BBADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@H](O)C[NH3+] ZINC000563957516 323331169 /nfs/dbraw/zinc/33/11/69/323331169.db2.gz MBYWHZPMHZJRLS-LLVKDONJSA-N 3 0 215.341 -0.373 20 0 BBADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H](O)C[NH3+] ZINC000563957543 323330865 /nfs/dbraw/zinc/33/08/65/323330865.db2.gz MBYWHZPMHZJRLS-NSHDSACASA-N 3 0 215.341 -0.373 20 0 BBADRP C[C@@H]1C[C@@H](CN2CCN(C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958557 323331990 /nfs/dbraw/zinc/33/19/90/323331990.db2.gz WTSXOSIDHYONPJ-AGIUHOORSA-N 2 0 240.395 -0.051 20 0 BBADRP C[C@@H]1C[C@@H](CN2CCN(C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958558 323331315 /nfs/dbraw/zinc/33/13/15/323331315.db2.gz WTSXOSIDHYONPJ-FRRDWIJNSA-N 2 0 240.395 -0.051 20 0 BBADRP C[C@@H]1C[C@H](CN2CCN(C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000563958559 323331660 /nfs/dbraw/zinc/33/16/60/323331660.db2.gz WTSXOSIDHYONPJ-JHJVBQTASA-N 2 0 240.395 -0.051 20 0 BBADRP C[C@@H]1C[C@H](CN2CCN(C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000563958560 323331970 /nfs/dbraw/zinc/33/19/70/323331970.db2.gz WTSXOSIDHYONPJ-UPJWGTAASA-N 2 0 240.395 -0.051 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000563977178 323338081 /nfs/dbraw/zinc/33/80/81/323338081.db2.gz ZQACUJZRRAESQX-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000563977179 323338493 /nfs/dbraw/zinc/33/84/93/323338493.db2.gz ZQACUJZRRAESQX-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000564075703 387821345 /nfs/dbraw/zinc/82/13/45/387821345.db2.gz NRRGDBNYLUYRCJ-CMPLNLGQSA-N 2 0 249.314 -0.123 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000564075704 387819547 /nfs/dbraw/zinc/81/95/47/387819547.db2.gz NRRGDBNYLUYRCJ-JQWIXIFHSA-N 2 0 249.314 -0.123 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000564075705 323425170 /nfs/dbraw/zinc/42/51/70/323425170.db2.gz NRRGDBNYLUYRCJ-PWSUYJOCSA-N 2 0 249.314 -0.123 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000564075706 323425320 /nfs/dbraw/zinc/42/53/20/323425320.db2.gz NRRGDBNYLUYRCJ-ZYHUDNBSSA-N 2 0 249.314 -0.123 20 0 BBADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC000564082918 358848840 /nfs/dbraw/zinc/84/88/40/358848840.db2.gz BOCJYGHMIYZBFL-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000564082919 358849123 /nfs/dbraw/zinc/84/91/23/358849123.db2.gz BOCJYGHMIYZBFL-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000564082921 358848704 /nfs/dbraw/zinc/84/87/04/358848704.db2.gz BOCJYGHMIYZBFL-QWRGUYRKSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC000564082922 358849064 /nfs/dbraw/zinc/84/90/64/358849064.db2.gz BOCJYGHMIYZBFL-WDEREUQCSA-N 2 0 241.335 -0.519 20 0 BBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)C1CC([NH3+])C1 ZINC000564084233 387825007 /nfs/dbraw/zinc/82/50/07/387825007.db2.gz SROVMDUNOKXVRO-HWOCKDDLSA-N 2 0 227.308 -0.687 20 0 BBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)C1CC([NH3+])C1 ZINC000564084237 387825418 /nfs/dbraw/zinc/82/54/18/387825418.db2.gz SROVMDUNOKXVRO-KYHHOPLUSA-N 2 0 227.308 -0.687 20 0 BBADRP COC[C@]1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000564084601 323427612 /nfs/dbraw/zinc/42/76/12/323427612.db2.gz KDISCVYOXLTBIN-JFGNBEQYSA-N 2 0 241.335 -0.392 20 0 BBADRP COC[C@@]1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000564084602 323427609 /nfs/dbraw/zinc/42/76/09/323427609.db2.gz KDISCVYOXLTBIN-UMNHJUIQSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@H]1CN(CCN2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000564086077 323427349 /nfs/dbraw/zinc/42/73/49/323427349.db2.gz XQEHBAYPALZHON-RYUDHWBXSA-N 2 0 226.368 -0.426 20 0 BBADRP C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000564086085 387825220 /nfs/dbraw/zinc/82/52/20/387825220.db2.gz XQEHBAYPALZHON-TXEJJXNPSA-N 2 0 226.368 -0.426 20 0 BBADRP C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000564086087 387825403 /nfs/dbraw/zinc/82/54/03/387825403.db2.gz XQEHBAYPALZHON-VXGBXAGGSA-N 2 0 226.368 -0.426 20 0 BBADRP Cc1ncc(C[NH2+]C[C@]2(O)CCOC2)n1C ZINC000564100143 358861012 /nfs/dbraw/zinc/86/10/12/358861012.db2.gz BIWRBCVXWDPDLD-LLVKDONJSA-N 2 0 225.292 -0.030 20 0 BBADRP Cc1ncc(C[NH2+]C[C@@]2(O)CCOC2)n1C ZINC000564100152 358861159 /nfs/dbraw/zinc/86/11/59/358861159.db2.gz BIWRBCVXWDPDLD-NSHDSACASA-N 2 0 225.292 -0.030 20 0 BBADRP COC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000564103141 387831351 /nfs/dbraw/zinc/83/13/51/387831351.db2.gz XUDVPGIWYOAZJQ-GMTAPVOTSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000564103144 387832168 /nfs/dbraw/zinc/83/21/68/387832168.db2.gz XUDVPGIWYOAZJQ-MXWKQRLJSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000564103145 387832634 /nfs/dbraw/zinc/83/26/34/387832634.db2.gz XUDVPGIWYOAZJQ-OUAUKWLOSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000564103146 387832481 /nfs/dbraw/zinc/83/24/81/387832481.db2.gz XUDVPGIWYOAZJQ-VWYCJHECSA-N 2 0 241.335 -0.487 20 0 BBADRP CC1(C(=O)NCC2CC[NH2+]CC2)C[NH2+]C1 ZINC000564202144 388680361 /nfs/dbraw/zinc/68/03/61/388680361.db2.gz KTGZVEGEERLASM-UHFFFAOYSA-N 2 0 211.309 -0.288 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000564327737 325382950 /nfs/dbraw/zinc/38/29/50/325382950.db2.gz BFHWQCIJXSKBJP-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000564327738 325382799 /nfs/dbraw/zinc/38/27/99/325382799.db2.gz BFHWQCIJXSKBJP-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000564328238 325384151 /nfs/dbraw/zinc/38/41/51/325384151.db2.gz JADCSCDOQLBPJK-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000564328239 325384052 /nfs/dbraw/zinc/38/40/52/325384052.db2.gz JADCSCDOQLBPJK-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000564328241 325384036 /nfs/dbraw/zinc/38/40/36/325384036.db2.gz JADCSCDOQLBPJK-QWRGUYRKSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000564328242 325384119 /nfs/dbraw/zinc/38/41/19/325384119.db2.gz JADCSCDOQLBPJK-WDEREUQCSA-N 2 0 241.335 -0.519 20 0 BBADRP CN(C(=O)[C@@H]([NH3+])CC(F)F)C1CC([NH3+])C1 ZINC000564331020 364430268 /nfs/dbraw/zinc/43/02/68/364430268.db2.gz AFRNACDYFQQPEM-AHXFUIDQSA-N 2 0 221.251 -0.083 20 0 BBADRP CN(C(=O)[C@H]([NH3+])CC(F)F)C1CC([NH3+])C1 ZINC000564331027 364430400 /nfs/dbraw/zinc/43/04/00/364430400.db2.gz AFRNACDYFQQPEM-KPGICGJXSA-N 2 0 221.251 -0.083 20 0 BBADRP CCCN(C(=O)[C@@H](C[NH3+])OC)[C@@H]1CC[NH2+]C1 ZINC000564443579 322945790 /nfs/dbraw/zinc/94/57/90/322945790.db2.gz PKLXFMNIURRIFU-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CCCN(C(=O)[C@H](C[NH3+])OC)[C@H]1CC[NH2+]C1 ZINC000564443580 322945828 /nfs/dbraw/zinc/94/58/28/322945828.db2.gz PKLXFMNIURRIFU-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CCCN(C(=O)[C@@H](C[NH3+])OC)[C@H]1CC[NH2+]C1 ZINC000564443581 322945798 /nfs/dbraw/zinc/94/57/98/322945798.db2.gz PKLXFMNIURRIFU-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CCCN(C(=O)[C@H](C[NH3+])OC)[C@@H]1CC[NH2+]C1 ZINC000564443582 385295178 /nfs/dbraw/zinc/29/51/78/385295178.db2.gz PKLXFMNIURRIFU-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)COC1CC[NH2+]CC1 ZINC000564449369 322949758 /nfs/dbraw/zinc/94/97/58/322949758.db2.gz APENQZZEIBKTBE-SNVBAGLBSA-N 2 0 243.351 -0.131 20 0 BBADRP C[C@@H]1CCN(C(=O)COC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000564450658 325793114 /nfs/dbraw/zinc/79/31/14/325793114.db2.gz BLKPINHRIMVYBH-NXEZZACHSA-N 2 0 241.335 -0.582 20 0 BBADRP C[C@H]1CCN(C(=O)COC2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000564450664 388875667 /nfs/dbraw/zinc/87/56/67/388875667.db2.gz BLKPINHRIMVYBH-UWVGGRQHSA-N 2 0 241.335 -0.582 20 0 BBADRP C[C@H]1CCN(C(=O)COC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000564450665 325793150 /nfs/dbraw/zinc/79/31/50/325793150.db2.gz BLKPINHRIMVYBH-VHSXEESVSA-N 2 0 241.335 -0.582 20 0 BBADRP C[C@@H]1CCN(C(=O)COC2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000564450666 325793023 /nfs/dbraw/zinc/79/30/23/325793023.db2.gz BLKPINHRIMVYBH-ZJUUUORDSA-N 2 0 241.335 -0.582 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000564451550 322951668 /nfs/dbraw/zinc/95/16/68/322951668.db2.gz QAVWELOYRKSFLA-CMPLNLGQSA-N 2 0 243.351 -0.001 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564451552 322951642 /nfs/dbraw/zinc/95/16/42/322951642.db2.gz QAVWELOYRKSFLA-PWSUYJOCSA-N 2 0 243.351 -0.001 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564451553 322951614 /nfs/dbraw/zinc/95/16/14/322951614.db2.gz QAVWELOYRKSFLA-ZYHUDNBSSA-N 2 0 243.351 -0.001 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000564453326 711517257 /nfs/dbraw/zinc/51/72/57/711517257.db2.gz XEAYBRJHOGSSBR-KXUCPTDWSA-N 2 0 243.351 -0.018 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000564453330 711517281 /nfs/dbraw/zinc/51/72/81/711517281.db2.gz XEAYBRJHOGSSBR-UTLUCORTSA-N 2 0 243.351 -0.018 20 0 BBADRP COC[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000564567779 325795916 /nfs/dbraw/zinc/79/59/16/325795916.db2.gz RHHDZYHFTWWJAN-KOLCDFICSA-N 2 0 227.308 -0.828 20 0 BBADRP COC[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000564567785 325795855 /nfs/dbraw/zinc/79/58/55/325795855.db2.gz RHHDZYHFTWWJAN-MWLCHTKSSA-N 2 0 227.308 -0.828 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000564568565 325796033 /nfs/dbraw/zinc/79/60/33/325796033.db2.gz ZLIXRRJIYLPVOS-GMSGAONNSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000564568566 323079774 /nfs/dbraw/zinc/07/97/74/323079774.db2.gz ZLIXRRJIYLPVOS-OIBJUYFYSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000564568567 323079707 /nfs/dbraw/zinc/07/97/07/323079707.db2.gz ZLIXRRJIYLPVOS-XCBNKYQSSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000564568568 323079737 /nfs/dbraw/zinc/07/97/37/323079737.db2.gz ZLIXRRJIYLPVOS-XVKPBYJWSA-N 2 0 211.309 -0.020 20 0 BBADRP CC(C)(C)[C@H]([NH2+]CCN1CC[NH2+]CC1)C(N)=O ZINC000564572053 325796593 /nfs/dbraw/zinc/79/65/93/325796593.db2.gz QSEXPEOSORWXEW-SNVBAGLBSA-N 2 0 242.367 -0.619 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564572098 388879309 /nfs/dbraw/zinc/87/93/09/388879309.db2.gz OBBPBTXHYUCOBO-NXEZZACHSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000564572109 388879430 /nfs/dbraw/zinc/87/94/30/388879430.db2.gz OBBPBTXHYUCOBO-VHSXEESVSA-N 2 0 243.351 -0.146 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000564586132 325798016 /nfs/dbraw/zinc/79/80/16/325798016.db2.gz PCMJCCUHGSSOCX-VIFPVBQESA-N 2 0 212.297 -0.647 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564656256 325801574 /nfs/dbraw/zinc/80/15/74/325801574.db2.gz WEVMPJLCLPOQBE-JTQLQIEISA-N 2 0 240.351 -0.770 20 0 BBADRP CC(C)([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564656260 325801413 /nfs/dbraw/zinc/80/14/13/325801413.db2.gz WEVMPJLCLPOQBE-SNVBAGLBSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000564656697 322970242 /nfs/dbraw/zinc/97/02/42/322970242.db2.gz WPMYHKQQNFMNTH-AXFHLTTASA-N 2 0 240.351 -0.996 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000564656698 384242756 /nfs/dbraw/zinc/24/27/56/384242756.db2.gz WPMYHKQQNFMNTH-DCAQKATOSA-N 2 0 240.351 -0.996 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000564656699 322970248 /nfs/dbraw/zinc/97/02/48/322970248.db2.gz WPMYHKQQNFMNTH-GARJFASQSA-N 2 0 240.351 -0.996 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000564656700 384243392 /nfs/dbraw/zinc/24/33/92/384243392.db2.gz WPMYHKQQNFMNTH-HBNTYKKESA-N 2 0 240.351 -0.996 20 0 BBADRP C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000564656710 388883356 /nfs/dbraw/zinc/88/33/56/388883356.db2.gz BLSCUQZBFDFKRN-DTORHVGOSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[NH2+]CCCNC(=O)N(C)CCC[NH3+] ZINC000564669556 325802800 /nfs/dbraw/zinc/80/28/00/325802800.db2.gz SYIYMEGIAOMZFK-UHFFFAOYSA-N 2 0 216.329 -0.024 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000564722291 325805300 /nfs/dbraw/zinc/80/53/00/325805300.db2.gz YDQPYLPJPPGUQG-JLLWLGSASA-N 2 0 223.320 -0.064 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000564722293 325805090 /nfs/dbraw/zinc/80/50/90/325805090.db2.gz YDQPYLPJPPGUQG-USWWRNFRSA-N 2 0 223.320 -0.064 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564726145 398039185 /nfs/dbraw/zinc/03/91/85/398039185.db2.gz IAFLNFAFRVCBSM-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564726147 325805021 /nfs/dbraw/zinc/80/50/21/325805021.db2.gz IAFLNFAFRVCBSM-VWYCJHECSA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000564726977 323010357 /nfs/dbraw/zinc/01/03/57/323010357.db2.gz QLQSCBIZYJBNEX-HTQZYQBOSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000564726978 323010277 /nfs/dbraw/zinc/01/02/77/323010277.db2.gz QLQSCBIZYJBNEX-JGVFFNPUSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000564726979 323010287 /nfs/dbraw/zinc/01/02/87/323010287.db2.gz QLQSCBIZYJBNEX-SFYZADRCSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000564726980 323010332 /nfs/dbraw/zinc/01/03/32/323010332.db2.gz QLQSCBIZYJBNEX-YUMQZZPRSA-N 2 0 202.302 -0.369 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000564731031 398039675 /nfs/dbraw/zinc/03/96/75/398039675.db2.gz QMQZGAOEGCMYQD-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000564731033 398039113 /nfs/dbraw/zinc/03/91/13/398039113.db2.gz QMQZGAOEGCMYQD-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP CC(C)(C)[NH2+]CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000564797731 323108678 /nfs/dbraw/zinc/10/86/78/323108678.db2.gz UFELZKRGJIFNLZ-JTQLQIEISA-N 2 0 243.351 -0.131 20 0 BBADRP CC(C)(C)[NH2+]CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000564797743 323108727 /nfs/dbraw/zinc/10/87/27/323108727.db2.gz UFELZKRGJIFNLZ-SNVBAGLBSA-N 2 0 243.351 -0.131 20 0 BBADRP C[C@H](Cn1cccn1)[NH2+]CCN1CC[NH2+]CC1 ZINC000564799644 388890339 /nfs/dbraw/zinc/89/03/39/388890339.db2.gz DQIJRVGXNMAWOY-GFCCVEGCSA-N 2 0 237.351 -0.234 20 0 BBADRP C[C@@H](Cn1cccn1)[NH2+]CCN1CC[NH2+]CC1 ZINC000564799645 325808945 /nfs/dbraw/zinc/80/89/45/325808945.db2.gz DQIJRVGXNMAWOY-LBPRGKRZSA-N 2 0 237.351 -0.234 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000564802339 388890162 /nfs/dbraw/zinc/89/01/62/388890162.db2.gz GHTLIWZAGMJWKK-GHMZBOCLSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000564802341 388890123 /nfs/dbraw/zinc/89/01/23/388890123.db2.gz GHTLIWZAGMJWKK-MNOVXSKESA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000564802342 388889941 /nfs/dbraw/zinc/88/99/41/388889941.db2.gz GHTLIWZAGMJWKK-QWRGUYRKSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000564802344 325810270 /nfs/dbraw/zinc/81/02/70/325810270.db2.gz GHTLIWZAGMJWKK-WDEREUQCSA-N 2 0 241.335 -0.297 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000564804197 325810671 /nfs/dbraw/zinc/81/06/71/325810671.db2.gz QITHYAJKLFKVAG-JTQLQIEISA-N 2 0 239.319 -0.672 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000564804207 388890607 /nfs/dbraw/zinc/89/06/07/388890607.db2.gz QITHYAJKLFKVAG-SNVBAGLBSA-N 2 0 239.319 -0.672 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564829571 388891789 /nfs/dbraw/zinc/89/17/89/388891789.db2.gz JNNRJIWVWCQAOB-AXTSPUMRSA-N 2 0 209.293 -0.456 20 0 BBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000564837204 325814597 /nfs/dbraw/zinc/81/45/97/325814597.db2.gz PMSZDMYFZMPWBO-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000564837210 388892993 /nfs/dbraw/zinc/89/29/93/388892993.db2.gz PMSZDMYFZMPWBO-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000564837213 388893179 /nfs/dbraw/zinc/89/31/79/388893179.db2.gz PMSZDMYFZMPWBO-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000564837214 325814460 /nfs/dbraw/zinc/81/44/60/325814460.db2.gz PMSZDMYFZMPWBO-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP COCC1(CNC(=O)C2([NH3+])CC2)CC[NH2+]CC1 ZINC000564838817 325814815 /nfs/dbraw/zinc/81/48/15/325814815.db2.gz GAJLCJACVBVPFP-UHFFFAOYSA-N 2 0 241.335 -0.390 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000564840745 322936632 /nfs/dbraw/zinc/93/66/32/322936632.db2.gz KPCWREFKWMTDFC-HTQZYQBOSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000564840749 384915322 /nfs/dbraw/zinc/91/53/22/384915322.db2.gz KPCWREFKWMTDFC-JGVFFNPUSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000564840927 322936386 /nfs/dbraw/zinc/93/63/86/322936386.db2.gz KPCWREFKWMTDFC-SFYZADRCSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000564840929 322936497 /nfs/dbraw/zinc/93/64/97/322936497.db2.gz KPCWREFKWMTDFC-YUMQZZPRSA-N 2 0 217.313 -0.550 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000564845409 325815651 /nfs/dbraw/zinc/81/56/51/325815651.db2.gz XSIJHRMSRUPMRH-CHWFTXMASA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000564845410 388893799 /nfs/dbraw/zinc/89/37/99/388893799.db2.gz XSIJHRMSRUPMRH-VPOLOUISSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000564845411 388894332 /nfs/dbraw/zinc/89/43/32/388894332.db2.gz XSIJHRMSRUPMRH-XWLWVQCSSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000564845412 325815893 /nfs/dbraw/zinc/81/58/93/325815893.db2.gz XSIJHRMSRUPMRH-ZRUFSTJUSA-N 2 0 241.335 -0.441 20 0 BBADRP C[NH+](C)C1CCN(CC[NH2+]CCC(N)=O)CC1 ZINC000564847884 325816286 /nfs/dbraw/zinc/81/62/86/325816286.db2.gz IPHPIJIDROKDRP-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP CCCCN(C)CC[NH2+]CCC(=O)NC(N)=O ZINC000564856504 388895198 /nfs/dbraw/zinc/89/51/98/388895198.db2.gz WSBRPIDJIBOKJS-UHFFFAOYSA-N 2 0 244.339 -0.107 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOC)CC1 ZINC000564905301 398048821 /nfs/dbraw/zinc/04/88/21/398048821.db2.gz RMJQCHCGKFKJSO-LLVKDONJSA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH2+]CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000564923888 384886132 /nfs/dbraw/zinc/88/61/32/384886132.db2.gz WJBFOGJNYZBFLU-LLVKDONJSA-N 2 0 243.351 -0.585 20 0 BBADRP C[NH2+]CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000564923891 322960836 /nfs/dbraw/zinc/96/08/36/322960836.db2.gz WJBFOGJNYZBFLU-NSHDSACASA-N 2 0 243.351 -0.585 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564932939 388898869 /nfs/dbraw/zinc/89/88/69/388898869.db2.gz CQNGSPKVHVBCHW-MNOVXSKESA-N 2 0 240.351 -0.770 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564932941 325828325 /nfs/dbraw/zinc/82/83/25/325828325.db2.gz CQNGSPKVHVBCHW-QWRGUYRKSA-N 2 0 240.351 -0.770 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564933047 388898519 /nfs/dbraw/zinc/89/85/19/388898519.db2.gz JSFJTLYBVRZYOT-GHMZBOCLSA-N 2 0 240.351 -0.770 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564933048 388898658 /nfs/dbraw/zinc/89/86/58/388898658.db2.gz JSFJTLYBVRZYOT-WDEREUQCSA-N 2 0 240.351 -0.770 20 0 BBADRP [NH3+]CCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000564936921 388898154 /nfs/dbraw/zinc/89/81/54/388898154.db2.gz LLOZYINXWPWIAS-JTQLQIEISA-N 2 0 225.267 -0.057 20 0 BBADRP [NH3+]CCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000564936925 325829419 /nfs/dbraw/zinc/82/94/19/325829419.db2.gz LLOZYINXWPWIAS-SNVBAGLBSA-N 2 0 225.267 -0.057 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000564937902 384200222 /nfs/dbraw/zinc/20/02/22/384200222.db2.gz PGHJWIPKAVSQDX-JTQLQIEISA-N 2 0 227.308 -0.733 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000564937903 384199428 /nfs/dbraw/zinc/19/94/28/384199428.db2.gz PGHJWIPKAVSQDX-SNVBAGLBSA-N 2 0 227.308 -0.733 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000564938521 325829620 /nfs/dbraw/zinc/82/96/20/325829620.db2.gz WBVZXXZKNVRTPW-DBIOUOCHSA-N 2 0 240.351 -0.027 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000564938527 325829650 /nfs/dbraw/zinc/82/96/50/325829650.db2.gz WBVZXXZKNVRTPW-XWLWVQCSSA-N 2 0 240.351 -0.027 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000564938529 388898913 /nfs/dbraw/zinc/89/89/13/388898913.db2.gz WBVZXXZKNVRTPW-YTWAJWBKSA-N 2 0 240.351 -0.027 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000564938530 325829309 /nfs/dbraw/zinc/82/93/09/325829309.db2.gz WBVZXXZKNVRTPW-ZRUFSTJUSA-N 2 0 240.351 -0.027 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)NC1CC[NH2+]CC1 ZINC000564940656 388899655 /nfs/dbraw/zinc/89/96/55/388899655.db2.gz YOPJTVFXIWMBLF-JTQLQIEISA-N 2 0 243.376 -0.050 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)NC1CC[NH2+]CC1 ZINC000564940657 388899734 /nfs/dbraw/zinc/89/97/34/388899734.db2.gz YOPJTVFXIWMBLF-SNVBAGLBSA-N 2 0 243.376 -0.050 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000564943264 322976311 /nfs/dbraw/zinc/97/63/11/322976311.db2.gz YJTWNYLKQYXFQO-QMMMGPOBSA-N 2 0 245.323 -0.667 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000564943686 388900535 /nfs/dbraw/zinc/90/05/35/388900535.db2.gz IWDKCIRJBRXGMT-NXEZZACHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000564943687 388900288 /nfs/dbraw/zinc/90/02/88/388900288.db2.gz IWDKCIRJBRXGMT-UWVGGRQHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000564943688 388900509 /nfs/dbraw/zinc/90/05/09/388900509.db2.gz IWDKCIRJBRXGMT-VHSXEESVSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000564943689 388899760 /nfs/dbraw/zinc/89/97/60/388899760.db2.gz IWDKCIRJBRXGMT-ZJUUUORDSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000564943809 322976309 /nfs/dbraw/zinc/97/63/09/322976309.db2.gz QRMGDDGFYJXDLC-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000564944061 388900283 /nfs/dbraw/zinc/90/02/83/388900283.db2.gz IBHUZKWSNSQGKG-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000564944063 325830606 /nfs/dbraw/zinc/83/06/06/325830606.db2.gz IBHUZKWSNSQGKG-MXWKQRLJSA-N 2 0 241.335 -0.297 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564945106 344480655 /nfs/dbraw/zinc/48/06/55/344480655.db2.gz RUCFYTYVYNBKQM-ZJUUUORDSA-N 2 0 239.319 -0.672 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000564947030 388900277 /nfs/dbraw/zinc/90/02/77/388900277.db2.gz JNUYUOYCJBKQDS-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000564947031 398048090 /nfs/dbraw/zinc/04/80/90/398048090.db2.gz JNUYUOYCJBKQDS-BBBLOLIVSA-N 2 0 227.308 -0.687 20 0 BBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[NH2+]C)C1(C)C ZINC000564947906 388899803 /nfs/dbraw/zinc/89/98/03/388899803.db2.gz ZIJBEWWKIFJCAY-BXKDBHETSA-N 2 0 243.351 -0.146 20 0 BBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[NH2+]C)C1(C)C ZINC000564947907 388899581 /nfs/dbraw/zinc/89/95/81/388899581.db2.gz ZIJBEWWKIFJCAY-CABZTGNLSA-N 2 0 243.351 -0.146 20 0 BBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[NH2+]C)C1(C)C ZINC000564947908 388900334 /nfs/dbraw/zinc/90/03/34/388900334.db2.gz ZIJBEWWKIFJCAY-JOYOIKCWSA-N 2 0 243.351 -0.146 20 0 BBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[NH2+]C)C1(C)C ZINC000564947909 325831731 /nfs/dbraw/zinc/83/17/31/325831731.db2.gz ZIJBEWWKIFJCAY-SKDRFNHKSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@@]1(CNC(=O)[C@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000564948208 388900395 /nfs/dbraw/zinc/90/03/95/388900395.db2.gz AJHBATHONWJHBU-PWSUYJOCSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@]1(CNC(=O)[C@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000564948209 325831513 /nfs/dbraw/zinc/83/15/13/325831513.db2.gz AJHBATHONWJHBU-ZYHUDNBSSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564948811 388900049 /nfs/dbraw/zinc/90/00/49/388900049.db2.gz KHGSOXHTNQBKQI-NXEZZACHSA-N 2 0 229.324 -0.453 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564948812 388900206 /nfs/dbraw/zinc/90/02/06/388900206.db2.gz KHGSOXHTNQBKQI-UWVGGRQHSA-N 2 0 229.324 -0.453 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564948813 388899608 /nfs/dbraw/zinc/89/96/08/388899608.db2.gz KHGSOXHTNQBKQI-VHSXEESVSA-N 2 0 229.324 -0.453 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564948814 388899967 /nfs/dbraw/zinc/89/99/67/388899967.db2.gz KHGSOXHTNQBKQI-ZJUUUORDSA-N 2 0 229.324 -0.453 20 0 BBADRP C[NH2+]CCC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000564948925 388900263 /nfs/dbraw/zinc/90/02/63/388900263.db2.gz OUNBQJLHJMELBD-UHFFFAOYSA-N 2 0 243.351 -0.272 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000564949510 388900190 /nfs/dbraw/zinc/90/01/90/388900190.db2.gz UKVRXLJRBQVCFB-YTWAJWBKSA-N 2 0 239.319 -0.830 20 0 BBADRP [NH3+]CC1(CC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000564949695 385039209 /nfs/dbraw/zinc/03/92/09/385039209.db2.gz UIOTWUOPDIJFQK-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP CCC[NH2+]CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000564949834 322978314 /nfs/dbraw/zinc/97/83/14/322978314.db2.gz DJRHVRLKXYLNME-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP CCC[NH2+]CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000564949837 487994131 /nfs/dbraw/zinc/99/41/31/487994131.db2.gz DJRHVRLKXYLNME-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000564950763 325831423 /nfs/dbraw/zinc/83/14/23/325831423.db2.gz OMIMFPUAKFLHOW-JTQLQIEISA-N 2 0 229.324 -0.439 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000564950764 325831243 /nfs/dbraw/zinc/83/12/43/325831243.db2.gz OMIMFPUAKFLHOW-SNVBAGLBSA-N 2 0 229.324 -0.439 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000564952575 388901647 /nfs/dbraw/zinc/90/16/47/388901647.db2.gz FNZLSOPQPSZONW-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000564952576 388901188 /nfs/dbraw/zinc/90/11/88/388901188.db2.gz FNZLSOPQPSZONW-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCCO1 ZINC000564952636 325832488 /nfs/dbraw/zinc/83/24/88/325832488.db2.gz IWFOLXINEHOLJJ-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCCO1 ZINC000564952637 325832046 /nfs/dbraw/zinc/83/20/46/325832046.db2.gz IWFOLXINEHOLJJ-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCCO1 ZINC000564952638 388901733 /nfs/dbraw/zinc/90/17/33/388901733.db2.gz IWFOLXINEHOLJJ-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCCO1 ZINC000564952639 388901508 /nfs/dbraw/zinc/90/15/08/388901508.db2.gz IWFOLXINEHOLJJ-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000564953256 325832760 /nfs/dbraw/zinc/83/27/60/325832760.db2.gz BCGLMSNXMSCLPQ-GXSJLCMTSA-N 2 0 240.351 -0.853 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000564953260 388900982 /nfs/dbraw/zinc/90/09/82/388900982.db2.gz BCGLMSNXMSCLPQ-KOLCDFICSA-N 2 0 240.351 -0.853 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000564953261 325832799 /nfs/dbraw/zinc/83/27/99/325832799.db2.gz BCGLMSNXMSCLPQ-MWLCHTKSSA-N 2 0 240.351 -0.853 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000564953262 388901455 /nfs/dbraw/zinc/90/14/55/388901455.db2.gz BCGLMSNXMSCLPQ-ONGXEEELSA-N 2 0 240.351 -0.853 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000564954593 388901873 /nfs/dbraw/zinc/90/18/73/388901873.db2.gz ONBIMENNUHOFNX-AEJSXWLSSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000564954595 388901619 /nfs/dbraw/zinc/90/16/19/388901619.db2.gz ONBIMENNUHOFNX-GUBZILKMSA-N 2 0 229.324 -0.536 20 0 BBADRP COCC1(C(=O)N(C)CC[NH3+])CC[NH2+]CC1 ZINC000564954602 325833115 /nfs/dbraw/zinc/83/31/15/325833115.db2.gz LOEVPLBCNISISJ-UHFFFAOYSA-N 2 0 229.324 -0.580 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000564955903 325833637 /nfs/dbraw/zinc/83/36/37/325833637.db2.gz BUUKIPGNGXVIGL-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000564955904 388900823 /nfs/dbraw/zinc/90/08/23/388900823.db2.gz BUUKIPGNGXVIGL-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000564956029 325833802 /nfs/dbraw/zinc/83/38/02/325833802.db2.gz FSTRAQLYZCUWQX-MXWKQRLJSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000564956030 388901330 /nfs/dbraw/zinc/90/13/30/388901330.db2.gz FSTRAQLYZCUWQX-VWYCJHECSA-N 2 0 223.320 -0.051 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000564956291 388901074 /nfs/dbraw/zinc/90/10/74/388901074.db2.gz LOZHJMSELAFKIM-IVZWLZJFSA-N 2 0 229.324 -0.597 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000564956293 388901465 /nfs/dbraw/zinc/90/14/65/388901465.db2.gz LOZHJMSELAFKIM-KXUCPTDWSA-N 2 0 229.324 -0.597 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000564956294 388901590 /nfs/dbraw/zinc/90/15/90/388901590.db2.gz LOZHJMSELAFKIM-LPEHRKFASA-N 2 0 229.324 -0.597 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000564956295 388900954 /nfs/dbraw/zinc/90/09/54/388900954.db2.gz LOZHJMSELAFKIM-OPRDCNLKSA-N 2 0 229.324 -0.597 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000564956640 388901101 /nfs/dbraw/zinc/90/11/01/388901101.db2.gz TWMWFZDLAMGLBY-AXFHLTTASA-N 2 0 243.351 -0.207 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000564956641 388900970 /nfs/dbraw/zinc/90/09/70/388900970.db2.gz TWMWFZDLAMGLBY-DCAQKATOSA-N 2 0 243.351 -0.207 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000564956642 325833510 /nfs/dbraw/zinc/83/35/10/325833510.db2.gz TWMWFZDLAMGLBY-MXWKQRLJSA-N 2 0 243.351 -0.207 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000564956643 388900899 /nfs/dbraw/zinc/90/08/99/388900899.db2.gz TWMWFZDLAMGLBY-VWYCJHECSA-N 2 0 243.351 -0.207 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000564956721 322979969 /nfs/dbraw/zinc/97/99/69/322979969.db2.gz QMNLQDXHKCCJHK-NXEZZACHSA-N 2 0 229.324 -0.534 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000564956722 322980044 /nfs/dbraw/zinc/98/00/44/322980044.db2.gz QMNLQDXHKCCJHK-UWVGGRQHSA-N 2 0 229.324 -0.534 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000564956723 322980015 /nfs/dbraw/zinc/98/00/15/322980015.db2.gz QMNLQDXHKCCJHK-VHSXEESVSA-N 2 0 229.324 -0.534 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000564956726 322979939 /nfs/dbraw/zinc/97/99/39/322979939.db2.gz QMNLQDXHKCCJHK-ZJUUUORDSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564956806 322980130 /nfs/dbraw/zinc/98/01/30/322980130.db2.gz VWNKGEAJHDKBHY-NXEZZACHSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000564956807 322980120 /nfs/dbraw/zinc/98/01/20/322980120.db2.gz VWNKGEAJHDKBHY-UWVGGRQHSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564956808 385190845 /nfs/dbraw/zinc/19/08/45/385190845.db2.gz VWNKGEAJHDKBHY-VHSXEESVSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000564956809 322980079 /nfs/dbraw/zinc/98/00/79/322980079.db2.gz VWNKGEAJHDKBHY-ZJUUUORDSA-N 2 0 229.324 -0.663 20 0 BBADRP CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H](C[NH3+])C1CC1 ZINC000564957089 388901869 /nfs/dbraw/zinc/90/18/69/388901869.db2.gz YZODPSFMPSBVLR-MXWKQRLJSA-N 2 0 241.335 -0.312 20 0 BBADRP CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H](C[NH3+])C1CC1 ZINC000564957090 388901671 /nfs/dbraw/zinc/90/16/71/388901671.db2.gz YZODPSFMPSBVLR-VWYCJHECSA-N 2 0 241.335 -0.312 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H](C)CCC[NH3+])CC[NH2+]C1 ZINC000564957285 388900877 /nfs/dbraw/zinc/90/08/77/388900877.db2.gz KVKDDUDMMUGXAD-CMPLNLGQSA-N 2 0 243.351 -0.144 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)CCC[NH3+])CC[NH2+]C1 ZINC000564957286 325834506 /nfs/dbraw/zinc/83/45/06/325834506.db2.gz KVKDDUDMMUGXAD-JQWIXIFHSA-N 2 0 243.351 -0.144 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)CCC[NH3+])CC[NH2+]C1 ZINC000564957287 388900811 /nfs/dbraw/zinc/90/08/11/388900811.db2.gz KVKDDUDMMUGXAD-PWSUYJOCSA-N 2 0 243.351 -0.144 20 0 BBADRP COC[C@@]1(C(=O)N[C@H](C)CCC[NH3+])CC[NH2+]C1 ZINC000564957288 325834185 /nfs/dbraw/zinc/83/41/85/325834185.db2.gz KVKDDUDMMUGXAD-ZYHUDNBSSA-N 2 0 243.351 -0.144 20 0 BBADRP [NH3+][C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000564957563 325834126 /nfs/dbraw/zinc/83/41/26/325834126.db2.gz PPIMXOBKUJFDLK-QCLAVDOMSA-N 2 0 209.293 -0.552 20 0 BBADRP [NH3+][C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000564957564 325834056 /nfs/dbraw/zinc/83/40/56/325834056.db2.gz PPIMXOBKUJFDLK-RGOKHQFPSA-N 2 0 209.293 -0.552 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000564958741 388903238 /nfs/dbraw/zinc/90/32/38/388903238.db2.gz PWLUMGHXUQCKOD-SVDPJWKOSA-N 2 0 239.319 -0.911 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000564958742 388902750 /nfs/dbraw/zinc/90/27/50/388902750.db2.gz PWLUMGHXUQCKOD-UXCLJVHYSA-N 2 0 239.319 -0.911 20 0 BBADRP CC(C)([NH3+])C[NH2+]CCN1CC[NH2+]CC1 ZINC000564973841 384056136 /nfs/dbraw/zinc/05/61/36/384056136.db2.gz XIHRDLYXXKFVLS-UHFFFAOYSA-N 3 0 200.330 -0.782 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000564983202 398336121 /nfs/dbraw/zinc/33/61/21/398336121.db2.gz NBQRPUFERPOJBT-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000564983203 398336115 /nfs/dbraw/zinc/33/61/15/398336115.db2.gz NBQRPUFERPOJBT-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000564983204 322990600 /nfs/dbraw/zinc/99/06/00/322990600.db2.gz NBQRPUFERPOJBT-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000564983205 398336096 /nfs/dbraw/zinc/33/60/96/398336096.db2.gz NBQRPUFERPOJBT-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP Cn1nnnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000564986605 384300784 /nfs/dbraw/zinc/30/07/84/384300784.db2.gz YFTDUTKSAHUJOQ-UHFFFAOYSA-N 2 0 236.323 -0.214 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]1C[NH2+]CCO1 ZINC000564987971 388905061 /nfs/dbraw/zinc/90/50/61/388905061.db2.gz HJTUROOWUDBSFW-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000564987972 325840721 /nfs/dbraw/zinc/84/07/21/325840721.db2.gz HJTUROOWUDBSFW-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP CNC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564988317 388905711 /nfs/dbraw/zinc/90/57/11/388905711.db2.gz BSJJALZKVDQCPP-PWSUYJOCSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH2+]CCCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564988545 388904696 /nfs/dbraw/zinc/90/46/96/388904696.db2.gz VTDMRAMTPVZYRR-GFCCVEGCSA-N 2 0 226.368 -0.425 20 0 BBADRP C[NH2+]CCCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564988548 388905143 /nfs/dbraw/zinc/90/51/43/388905143.db2.gz VTDMRAMTPVZYRR-LBPRGKRZSA-N 2 0 226.368 -0.425 20 0 BBADRP CCC(=O)N1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000564989237 388905289 /nfs/dbraw/zinc/90/52/89/388905289.db2.gz FHWDHPZIUFKDEX-UHFFFAOYSA-N 2 0 243.351 -0.094 20 0 BBADRP C(CN1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1 ZINC000564989597 388905782 /nfs/dbraw/zinc/90/57/82/388905782.db2.gz SUJFXNFXEKUFSE-QWHCGFSZSA-N 2 0 238.379 -0.425 20 0 BBADRP C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000564989846 388907106 /nfs/dbraw/zinc/90/71/06/388907106.db2.gz ODHRPOCEYCUMIT-OLZOCXBDSA-N 2 0 238.379 -0.282 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCCCC[NH2+]1 ZINC000564992548 388906364 /nfs/dbraw/zinc/90/63/64/388906364.db2.gz FJZPHWSKRCXWFE-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCCC[NH2+]1 ZINC000564992549 388906796 /nfs/dbraw/zinc/90/67/96/388906796.db2.gz FJZPHWSKRCXWFE-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCCC[NH2+]1 ZINC000564992550 388906651 /nfs/dbraw/zinc/90/66/51/388906651.db2.gz FJZPHWSKRCXWFE-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCCC[NH2+]1 ZINC000564992551 388906699 /nfs/dbraw/zinc/90/66/99/388906699.db2.gz FJZPHWSKRCXWFE-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000564993014 325842324 /nfs/dbraw/zinc/84/23/24/325842324.db2.gz MOKGGDWOQBZEMA-AXFHLTTASA-N 2 0 243.351 -0.064 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000564993015 388906977 /nfs/dbraw/zinc/90/69/77/388906977.db2.gz MOKGGDWOQBZEMA-DCAQKATOSA-N 2 0 243.351 -0.064 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000564993016 388906253 /nfs/dbraw/zinc/90/62/53/388906253.db2.gz MOKGGDWOQBZEMA-MXWKQRLJSA-N 2 0 243.351 -0.064 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000564993017 388906043 /nfs/dbraw/zinc/90/60/43/388906043.db2.gz MOKGGDWOQBZEMA-VWYCJHECSA-N 2 0 243.351 -0.064 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)C[NH2+]C1CC1 ZINC000564994092 388907126 /nfs/dbraw/zinc/90/71/26/388907126.db2.gz LICJGFRTEVZVMB-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564994543 325843141 /nfs/dbraw/zinc/84/31/41/325843141.db2.gz CHFNSHXDWOOMTJ-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)COC1C[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000564995411 322993140 /nfs/dbraw/zinc/99/31/40/322993140.db2.gz QZLJMKGNPLUCBR-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)COC1C[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000564995413 322993144 /nfs/dbraw/zinc/99/31/44/322993144.db2.gz QZLJMKGNPLUCBR-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000565001277 325844299 /nfs/dbraw/zinc/84/42/99/325844299.db2.gz ANSUAFVIMQYWMA-CSMHCCOUSA-N 2 0 203.286 -0.798 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000565001295 325844284 /nfs/dbraw/zinc/84/42/84/325844284.db2.gz ANSUAFVIMQYWMA-FXQIFTODSA-N 2 0 203.286 -0.798 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000565001297 388908075 /nfs/dbraw/zinc/90/80/75/388908075.db2.gz ANSUAFVIMQYWMA-PRJMDXOYSA-N 2 0 203.286 -0.798 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000565001298 325844389 /nfs/dbraw/zinc/84/43/89/325844389.db2.gz ANSUAFVIMQYWMA-RNJXMRFFSA-N 2 0 203.286 -0.798 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000565006482 384487743 /nfs/dbraw/zinc/48/77/43/384487743.db2.gz YMAGLLLNAWEBGD-BDAKNGLRSA-N 2 0 217.313 -0.536 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000565006483 384487644 /nfs/dbraw/zinc/48/76/44/384487644.db2.gz YMAGLLLNAWEBGD-DTWKUNHWSA-N 2 0 217.313 -0.536 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000565006485 384489710 /nfs/dbraw/zinc/48/97/10/384489710.db2.gz YMAGLLLNAWEBGD-IUCAKERBSA-N 2 0 217.313 -0.536 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000565006486 384489738 /nfs/dbraw/zinc/48/97/38/384489738.db2.gz YMAGLLLNAWEBGD-RKDXNWHRSA-N 2 0 217.313 -0.536 20 0 BBADRP C[C@H]1CN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000565029440 388909260 /nfs/dbraw/zinc/90/92/60/388909260.db2.gz XOMPIORGLOPUFT-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000565029441 388910119 /nfs/dbraw/zinc/91/01/19/388910119.db2.gz XOMPIORGLOPUFT-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000565095571 388913909 /nfs/dbraw/zinc/91/39/09/388913909.db2.gz BOJPKJJFAUYTGJ-GXSJLCMTSA-N 2 0 232.324 -0.302 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000565095572 388913343 /nfs/dbraw/zinc/91/33/43/388913343.db2.gz BOJPKJJFAUYTGJ-KOLCDFICSA-N 2 0 232.324 -0.302 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000565095573 388914110 /nfs/dbraw/zinc/91/41/10/388914110.db2.gz BOJPKJJFAUYTGJ-MWLCHTKSSA-N 2 0 232.324 -0.302 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000565095574 388913613 /nfs/dbraw/zinc/91/36/13/388913613.db2.gz BOJPKJJFAUYTGJ-ONGXEEELSA-N 2 0 232.324 -0.302 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000565095816 388914280 /nfs/dbraw/zinc/91/42/80/388914280.db2.gz TXDKSTAQGMEGAM-AXFHLTTASA-N 2 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000565095817 388915393 /nfs/dbraw/zinc/91/53/93/388915393.db2.gz TXDKSTAQGMEGAM-DCAQKATOSA-N 2 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000565095818 388914289 /nfs/dbraw/zinc/91/42/89/388914289.db2.gz TXDKSTAQGMEGAM-MXWKQRLJSA-N 2 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000565095819 388913418 /nfs/dbraw/zinc/91/34/18/388913418.db2.gz TXDKSTAQGMEGAM-VWYCJHECSA-N 2 0 215.341 -0.374 20 0 BBADRP [NH3+]CCC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000565096373 323016648 /nfs/dbraw/zinc/01/66/48/323016648.db2.gz PULUOCIYJJPPQA-UHFFFAOYSA-N 3 0 240.395 -0.048 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000565214396 388927486 /nfs/dbraw/zinc/92/74/86/388927486.db2.gz NWFUWQLCCKHNOU-LLVKDONJSA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000565214397 388927098 /nfs/dbraw/zinc/92/70/98/388927098.db2.gz NWFUWQLCCKHNOU-NSHDSACASA-N 2 0 240.351 -0.852 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000565214420 388926682 /nfs/dbraw/zinc/92/66/82/388926682.db2.gz ORIZQZYPQYMVTN-GXSJLCMTSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000565214423 388924377 /nfs/dbraw/zinc/92/43/77/388924377.db2.gz ORIZQZYPQYMVTN-ONGXEEELSA-N 2 0 211.309 -0.194 20 0 BBADRP O=C(CC[NH2+]C1CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565216544 323033859 /nfs/dbraw/zinc/03/38/59/323033859.db2.gz WARNCGFYILOTAF-JZYVYDRUSA-N 2 0 209.293 -0.538 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000565227116 388929828 /nfs/dbraw/zinc/92/98/28/388929828.db2.gz VNSWTXWRTHQGRQ-NEPJUHHUSA-N 3 0 226.368 -0.249 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000565227119 388929744 /nfs/dbraw/zinc/92/97/44/388929744.db2.gz VNSWTXWRTHQGRQ-NWDGAFQWSA-N 3 0 226.368 -0.249 20 0 BBADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000565227121 325881490 /nfs/dbraw/zinc/88/14/90/325881490.db2.gz VNSWTXWRTHQGRQ-RYUDHWBXSA-N 3 0 226.368 -0.249 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000565227122 325881446 /nfs/dbraw/zinc/88/14/46/325881446.db2.gz VNSWTXWRTHQGRQ-VXGBXAGGSA-N 3 0 226.368 -0.249 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000565249373 388932323 /nfs/dbraw/zinc/93/23/23/388932323.db2.gz FOOJXKJEUIBHEA-MRVPVSSYSA-N 2 0 202.302 -0.286 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000565249379 325886993 /nfs/dbraw/zinc/88/69/93/325886993.db2.gz FOOJXKJEUIBHEA-QMMMGPOBSA-N 2 0 202.302 -0.286 20 0 BBADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000565250292 325887216 /nfs/dbraw/zinc/88/72/16/325887216.db2.gz LCMNXDREQJDOJN-VIFPVBQESA-N 2 0 214.313 -0.353 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CCC[NH3+] ZINC000565250357 323066956 /nfs/dbraw/zinc/06/69/56/323066956.db2.gz MGMBRZYJNXXFHU-HTQZYQBOSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@H](C)[NH3+] ZINC000565250359 323066991 /nfs/dbraw/zinc/06/69/91/323066991.db2.gz MGMBRZYJNXXFHU-JGVFFNPUSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CCC[NH3+] ZINC000565250360 323066889 /nfs/dbraw/zinc/06/68/89/323066889.db2.gz MGMBRZYJNXXFHU-SFYZADRCSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CCC[NH3+] ZINC000565250364 323067004 /nfs/dbraw/zinc/06/70/04/323067004.db2.gz MGMBRZYJNXXFHU-YUMQZZPRSA-N 2 0 202.302 -0.288 20 0 BBADRP CC(C)([NH3+])CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000565251458 323070221 /nfs/dbraw/zinc/07/02/21/323070221.db2.gz WMRMTTDGHUWOKN-ZETCQYMHSA-N 2 0 200.286 -0.615 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000565254170 325888328 /nfs/dbraw/zinc/88/83/28/325888328.db2.gz OBWVTBPIXXUXBM-DTWKUNHWSA-N 2 0 212.297 -0.519 20 0 BBADRP COC[C@]1(CNC(=O)[C@H](C)[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000565299093 325892841 /nfs/dbraw/zinc/89/28/41/325892841.db2.gz LKRRTAMXDVQJQG-CKYFFXLPSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@]1(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000565299099 388935659 /nfs/dbraw/zinc/93/56/59/388935659.db2.gz LKRRTAMXDVQJQG-HOSYDEDBSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@]1(CNC(=O)[C@@H](C)[C@H](C)[NH3+])CCC[NH2+]1 ZINC000565299100 325892699 /nfs/dbraw/zinc/89/26/99/325892699.db2.gz LKRRTAMXDVQJQG-JBLDHEPKSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@]1(CNC(=O)[C@H](C)[C@H](C)[NH3+])CCC[NH2+]1 ZINC000565299103 388935623 /nfs/dbraw/zinc/93/56/23/388935623.db2.gz LKRRTAMXDVQJQG-JFGNBEQYSA-N 2 0 243.351 -0.146 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000565301568 388935885 /nfs/dbraw/zinc/93/58/85/388935885.db2.gz YUXPCMMKAOCPQZ-GHMZBOCLSA-N 2 0 242.367 -0.524 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000565301569 388936095 /nfs/dbraw/zinc/93/60/95/388936095.db2.gz YUXPCMMKAOCPQZ-WDEREUQCSA-N 2 0 242.367 -0.524 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000565304587 388936610 /nfs/dbraw/zinc/93/66/10/388936610.db2.gz WATDQRMLYGJREX-AATLWQCWSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C ZINC000565304588 325894348 /nfs/dbraw/zinc/89/43/48/325894348.db2.gz WATDQRMLYGJREX-KYXWUPHJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565304589 388935580 /nfs/dbraw/zinc/93/55/80/388935580.db2.gz WATDQRMLYGJREX-QCLAVDOMSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000565304590 388936507 /nfs/dbraw/zinc/93/65/07/388936507.db2.gz WATDQRMLYGJREX-RGOKHQFPSA-N 2 0 211.309 -0.068 20 0 BBADRP CCC[NH2+]CCNC(=O)CCOC1C[NH2+]C1 ZINC000565362166 325901186 /nfs/dbraw/zinc/90/11/86/325901186.db2.gz CPACKOODNJUTJY-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CC1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000565362201 388938595 /nfs/dbraw/zinc/93/85/95/388938595.db2.gz VSLYWOSSKDEPRW-UHFFFAOYSA-N 2 0 241.335 -0.567 20 0 BBADRP CN(C(=O)COC1C[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000565362599 325900839 /nfs/dbraw/zinc/90/08/39/325900839.db2.gz INXWFJWWUOVRNR-JTQLQIEISA-N 2 0 227.308 -0.830 20 0 BBADRP CN(C(=O)COC1C[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000565362602 325901229 /nfs/dbraw/zinc/90/12/29/325901229.db2.gz INXWFJWWUOVRNR-SNVBAGLBSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000565362809 325901097 /nfs/dbraw/zinc/90/10/97/325901097.db2.gz OIQYQRVQYLZFGJ-LADJIXMOSA-N 2 0 223.320 -0.292 20 0 BBADRP [NH3+]Cc1nnnn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565367202 388940532 /nfs/dbraw/zinc/94/05/32/388940532.db2.gz KQSLXGYWKWCCCD-UHFFFAOYSA-N 2 0 244.302 -0.174 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC[C@@H](C)O ZINC000565368366 388940729 /nfs/dbraw/zinc/94/07/29/388940729.db2.gz NSGXBOYLSQJHRI-NXEZZACHSA-N 2 0 204.314 -0.341 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC[C@H](C)O ZINC000565368387 388940558 /nfs/dbraw/zinc/94/05/58/388940558.db2.gz NSGXBOYLSQJHRI-UWVGGRQHSA-N 2 0 204.314 -0.341 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC[C@H](C)O ZINC000565368388 388940282 /nfs/dbraw/zinc/94/02/82/388940282.db2.gz NSGXBOYLSQJHRI-VHSXEESVSA-N 2 0 204.314 -0.341 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC[C@@H](C)O ZINC000565368389 388939988 /nfs/dbraw/zinc/93/99/88/388939988.db2.gz NSGXBOYLSQJHRI-ZJUUUORDSA-N 2 0 204.314 -0.341 20 0 BBADRP CC[NH2+]CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000565419832 388942814 /nfs/dbraw/zinc/94/28/14/388942814.db2.gz GQBJADPDSNNMIJ-UHFFFAOYSA-N 2 0 222.292 -0.120 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]1COC ZINC000565430383 388945044 /nfs/dbraw/zinc/94/50/44/388945044.db2.gz MQDFKAIYBDXYDF-NEPJUHHUSA-N 2 0 246.351 -0.354 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H]1COC ZINC000565430385 388944479 /nfs/dbraw/zinc/94/44/79/388944479.db2.gz MQDFKAIYBDXYDF-NWDGAFQWSA-N 2 0 246.351 -0.354 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]1COC ZINC000565430386 388945078 /nfs/dbraw/zinc/94/50/78/388945078.db2.gz MQDFKAIYBDXYDF-RYUDHWBXSA-N 2 0 246.351 -0.354 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H]1COC ZINC000565430388 388944551 /nfs/dbraw/zinc/94/45/51/388944551.db2.gz MQDFKAIYBDXYDF-VXGBXAGGSA-N 2 0 246.351 -0.354 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000565475519 325915663 /nfs/dbraw/zinc/91/56/63/325915663.db2.gz BFSXVWGOWCKOEI-DKIAZLNASA-N 2 0 209.293 -0.314 20 0 BBADRP CSC[C@@H](O)C[NH2+]CCOCC[NH+](C)C ZINC000565475824 325915524 /nfs/dbraw/zinc/91/55/24/325915524.db2.gz FXKYSKVTYCWUSC-JTQLQIEISA-N 2 0 236.381 -0.122 20 0 BBADRP CSC[C@H](O)C[NH2+]CCOCC[NH+](C)C ZINC000565475825 325915774 /nfs/dbraw/zinc/91/57/74/325915774.db2.gz FXKYSKVTYCWUSC-SNVBAGLBSA-N 2 0 236.381 -0.122 20 0 BBADRP O=C1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C(=O)N1 ZINC000565488577 388948449 /nfs/dbraw/zinc/94/84/49/388948449.db2.gz NNGAABVDTCOHGZ-NXEZZACHSA-N 2 0 239.319 -0.229 20 0 BBADRP O=C1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C(=O)N1 ZINC000565488581 388948454 /nfs/dbraw/zinc/94/84/54/388948454.db2.gz NNGAABVDTCOHGZ-UWVGGRQHSA-N 2 0 239.319 -0.229 20 0 BBADRP O=C1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C(=O)N1 ZINC000565488582 325918537 /nfs/dbraw/zinc/91/85/37/325918537.db2.gz NNGAABVDTCOHGZ-VHSXEESVSA-N 2 0 239.319 -0.229 20 0 BBADRP O=C1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C(=O)N1 ZINC000565488583 388947226 /nfs/dbraw/zinc/94/72/26/388947226.db2.gz NNGAABVDTCOHGZ-ZJUUUORDSA-N 2 0 239.319 -0.229 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000565538692 325925102 /nfs/dbraw/zinc/92/51/02/325925102.db2.gz WSRRFUUDVRRTBB-CKYFFXLPSA-N 2 0 223.320 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000565538702 325924638 /nfs/dbraw/zinc/92/46/38/325924638.db2.gz WSRRFUUDVRRTBB-FOGDFJRCSA-N 2 0 223.320 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000565538706 388953161 /nfs/dbraw/zinc/95/31/61/388953161.db2.gz WSRRFUUDVRRTBB-JFGNBEQYSA-N 2 0 223.320 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000565538709 325925001 /nfs/dbraw/zinc/92/50/01/325925001.db2.gz WSRRFUUDVRRTBB-SCVCMEIPSA-N 2 0 223.320 -0.194 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000565539157 322916040 /nfs/dbraw/zinc/91/60/40/322916040.db2.gz QTTGQFSMGPIPBO-JTQLQIEISA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000565539163 322915901 /nfs/dbraw/zinc/91/59/01/322915901.db2.gz QTTGQFSMGPIPBO-SNVBAGLBSA-N 2 0 243.351 -0.273 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CCSC ZINC000565595125 388956596 /nfs/dbraw/zinc/95/65/96/388956596.db2.gz ACOZPMAWAUPQKX-HTQZYQBOSA-N 2 0 219.354 -0.080 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CCSC ZINC000565595157 325931712 /nfs/dbraw/zinc/93/17/12/325931712.db2.gz ACOZPMAWAUPQKX-JGVFFNPUSA-N 2 0 219.354 -0.080 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCSC ZINC000565595158 325931749 /nfs/dbraw/zinc/93/17/49/325931749.db2.gz ACOZPMAWAUPQKX-SFYZADRCSA-N 2 0 219.354 -0.080 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCSC ZINC000565595159 325931690 /nfs/dbraw/zinc/93/16/90/325931690.db2.gz ACOZPMAWAUPQKX-YUMQZZPRSA-N 2 0 219.354 -0.080 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000565595589 325931868 /nfs/dbraw/zinc/93/18/68/325931868.db2.gz BDLVVUNHYNBAKX-NTSWFWBYSA-N 2 0 209.240 -0.320 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000565595606 325931618 /nfs/dbraw/zinc/93/16/18/325931618.db2.gz BDLVVUNHYNBAKX-PHDIDXHHSA-N 2 0 209.240 -0.320 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000565595607 388957404 /nfs/dbraw/zinc/95/74/04/388957404.db2.gz BDLVVUNHYNBAKX-RITPCOANSA-N 2 0 209.240 -0.320 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000565595608 388956563 /nfs/dbraw/zinc/95/65/63/388956563.db2.gz BDLVVUNHYNBAKX-WDSKDSINSA-N 2 0 209.240 -0.320 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000565595856 388956629 /nfs/dbraw/zinc/95/66/29/388956629.db2.gz FITHEXCWKQITIY-UWVGGRQHSA-N 2 0 229.324 -0.406 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000565595857 325932500 /nfs/dbraw/zinc/93/25/00/325932500.db2.gz FITHEXCWKQITIY-VHSXEESVSA-N 2 0 229.324 -0.406 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000565598120 325933068 /nfs/dbraw/zinc/93/30/68/325933068.db2.gz YHLOTUZVWJWLTL-NXEZZACHSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000565598135 325932723 /nfs/dbraw/zinc/93/27/23/325932723.db2.gz YHLOTUZVWJWLTL-UWVGGRQHSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000565598136 325933121 /nfs/dbraw/zinc/93/31/21/325933121.db2.gz YHLOTUZVWJWLTL-VHSXEESVSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000565598139 325933073 /nfs/dbraw/zinc/93/30/73/325933073.db2.gz YHLOTUZVWJWLTL-ZJUUUORDSA-N 2 0 229.324 -0.663 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCCC[NH2+]1 ZINC000565599368 388957498 /nfs/dbraw/zinc/95/74/98/388957498.db2.gz CUYGOXFRNHHLGT-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[NH2+]1 ZINC000565599369 388957757 /nfs/dbraw/zinc/95/77/57/388957757.db2.gz CUYGOXFRNHHLGT-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP C[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000565606833 384520609 /nfs/dbraw/zinc/52/06/09/384520609.db2.gz JPRJOPYHTQBTRM-MRVPVSSYSA-N 2 0 213.281 -0.715 20 0 BBADRP C[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000565606847 322928595 /nfs/dbraw/zinc/92/85/95/322928595.db2.gz JPRJOPYHTQBTRM-QMMMGPOBSA-N 2 0 213.281 -0.715 20 0 BBADRP COC[C@]1(CNC(=O)[C@@H](C)C[NH3+])CCC[NH2+]1 ZINC000565652176 388960317 /nfs/dbraw/zinc/96/03/17/388960317.db2.gz YWARJFKYJNFILA-GXSJLCMTSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@@]1(CNC(=O)[C@H](C)C[NH3+])CCC[NH2+]1 ZINC000565652177 325938370 /nfs/dbraw/zinc/93/83/70/325938370.db2.gz YWARJFKYJNFILA-KOLCDFICSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@]1(CNC(=O)[C@H](C)C[NH3+])CCC[NH2+]1 ZINC000565652178 325938434 /nfs/dbraw/zinc/93/84/34/325938434.db2.gz YWARJFKYJNFILA-MWLCHTKSSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@@]1(CNC(=O)[C@@H](C)C[NH3+])CCC[NH2+]1 ZINC000565652179 388960458 /nfs/dbraw/zinc/96/04/58/388960458.db2.gz YWARJFKYJNFILA-ONGXEEELSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1CC1 ZINC000565656444 325938765 /nfs/dbraw/zinc/93/87/65/325938765.db2.gz PVPZNANMYRFKKV-ZJUUUORDSA-N 2 0 211.309 -0.114 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000565656951 388960671 /nfs/dbraw/zinc/96/06/71/388960671.db2.gz PNZBXTDJTAYUPI-CSMHCCOUSA-N 2 0 219.354 -0.081 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000565656952 388960764 /nfs/dbraw/zinc/96/07/64/388960764.db2.gz PNZBXTDJTAYUPI-FXQIFTODSA-N 2 0 219.354 -0.081 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000565656953 388959935 /nfs/dbraw/zinc/95/99/35/388959935.db2.gz PNZBXTDJTAYUPI-PRJMDXOYSA-N 2 0 219.354 -0.081 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000565656954 388960318 /nfs/dbraw/zinc/96/03/18/388960318.db2.gz PNZBXTDJTAYUPI-RNJXMRFFSA-N 2 0 219.354 -0.081 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000565657117 325939464 /nfs/dbraw/zinc/93/94/64/325939464.db2.gz YPBTURHMASBCTO-CIUDSAMLSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000565657118 388960431 /nfs/dbraw/zinc/96/04/31/388960431.db2.gz YPBTURHMASBCTO-DJLDLDEBSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000565657119 388960625 /nfs/dbraw/zinc/96/06/25/388960625.db2.gz YPBTURHMASBCTO-XHNCKOQMSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000565657120 388960884 /nfs/dbraw/zinc/96/08/84/388960884.db2.gz YPBTURHMASBCTO-YIZRAAEISA-N 2 0 215.297 -0.783 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000565658963 388960519 /nfs/dbraw/zinc/96/05/19/388960519.db2.gz FACCLORLTIGSIY-IVZWLZJFSA-N 2 0 229.324 -0.665 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000565658973 388960381 /nfs/dbraw/zinc/96/03/81/388960381.db2.gz FACCLORLTIGSIY-OPRDCNLKSA-N 2 0 229.324 -0.665 20 0 BBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000565659559 384758867 /nfs/dbraw/zinc/75/88/67/384758867.db2.gz LBJFGHXEDFTSBH-WDEREUQCSA-N 2 0 241.335 -0.738 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CCCO1 ZINC000565668063 388961053 /nfs/dbraw/zinc/96/10/53/388961053.db2.gz YHMWPTOUSQRQAW-LLVKDONJSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCCO1 ZINC000565668064 325941497 /nfs/dbraw/zinc/94/14/97/325941497.db2.gz YHMWPTOUSQRQAW-NSHDSACASA-N 2 0 241.335 -0.295 20 0 BBADRP CCN(CC)C(=O)CN(C)C[C@](C)(O)C[NH2+]C ZINC000565721010 388966360 /nfs/dbraw/zinc/96/63/60/388966360.db2.gz KNSMMQBOANVQHT-GFCCVEGCSA-N 2 0 245.367 -0.243 20 0 BBADRP CCN(CC)C(=O)CN(C)C[C@@](C)(O)C[NH2+]C ZINC000565721012 388965536 /nfs/dbraw/zinc/96/55/36/388965536.db2.gz KNSMMQBOANVQHT-LBPRGKRZSA-N 2 0 245.367 -0.243 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[NH2+]C(C)(C)C ZINC000565773433 325955059 /nfs/dbraw/zinc/95/50/59/325955059.db2.gz YHOUFLWGMMEXSB-SECBINFHSA-N 2 0 231.340 -0.146 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[NH2+]C(C)(C)C ZINC000565773434 388969241 /nfs/dbraw/zinc/96/92/41/388969241.db2.gz YHOUFLWGMMEXSB-VIFPVBQESA-N 2 0 231.340 -0.146 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000565773765 388968575 /nfs/dbraw/zinc/96/85/75/388968575.db2.gz YNHXNTGBJGQXCQ-AEJSXWLSSA-N 2 0 244.339 -0.600 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000565773766 325954950 /nfs/dbraw/zinc/95/49/50/325954950.db2.gz YNHXNTGBJGQXCQ-GUBZILKMSA-N 2 0 244.339 -0.600 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000565773767 325955208 /nfs/dbraw/zinc/95/52/08/325955208.db2.gz YNHXNTGBJGQXCQ-IVZWLZJFSA-N 2 0 244.339 -0.600 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000565773768 325954981 /nfs/dbraw/zinc/95/49/81/325954981.db2.gz YNHXNTGBJGQXCQ-LPEHRKFASA-N 2 0 244.339 -0.600 20 0 BBADRP CN(C(=O)C[C@H]1C[NH2+]CCO1)C1CC([NH3+])C1 ZINC000565774430 325956006 /nfs/dbraw/zinc/95/60/06/325956006.db2.gz YXRIANQGPIJBLQ-RTBKNWGFSA-N 2 0 227.308 -0.687 20 0 BBADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)C1CC([NH3+])C1 ZINC000565774431 325956077 /nfs/dbraw/zinc/95/60/77/325956077.db2.gz YXRIANQGPIJBLQ-UDNWOFFPSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC(CC[NH3+])CC1 ZINC000565782153 388968299 /nfs/dbraw/zinc/96/82/99/388968299.db2.gz GUAMYSQGKPXIPU-LLVKDONJSA-N 2 0 243.351 -0.062 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC(CC[NH3+])CC1 ZINC000565782158 325957229 /nfs/dbraw/zinc/95/72/29/325957229.db2.gz GUAMYSQGKPXIPU-NSHDSACASA-N 2 0 243.351 -0.062 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000565827917 388971019 /nfs/dbraw/zinc/97/10/19/388971019.db2.gz DNNFBVLQFKMRJQ-KOLCDFICSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000565827922 325960881 /nfs/dbraw/zinc/96/08/81/325960881.db2.gz DNNFBVLQFKMRJQ-ONGXEEELSA-N 2 0 227.308 -0.767 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000565828165 325961019 /nfs/dbraw/zinc/96/10/19/325961019.db2.gz OYBFVEOEKFBDQG-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000565828187 388971684 /nfs/dbraw/zinc/97/16/84/388971684.db2.gz OYBFVEOEKFBDQG-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000565828188 325959733 /nfs/dbraw/zinc/95/97/33/325959733.db2.gz OYBFVEOEKFBDQG-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000565828189 325959645 /nfs/dbraw/zinc/95/96/45/325959645.db2.gz OYBFVEOEKFBDQG-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000565832181 388972892 /nfs/dbraw/zinc/97/28/92/388972892.db2.gz HLEUSZCQTXLTAR-BDAKNGLRSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000565832199 388973079 /nfs/dbraw/zinc/97/30/79/388973079.db2.gz HLEUSZCQTXLTAR-DTWKUNHWSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000565832200 388972486 /nfs/dbraw/zinc/97/24/86/388972486.db2.gz HLEUSZCQTXLTAR-IUCAKERBSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000565832202 325962525 /nfs/dbraw/zinc/96/25/25/325962525.db2.gz HLEUSZCQTXLTAR-RKDXNWHRSA-N 2 0 215.297 -0.844 20 0 BBADRP C[NH2+]CCC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000565832819 388972446 /nfs/dbraw/zinc/97/24/46/388972446.db2.gz RNLABDKHACTICE-LLVKDONJSA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000565832824 388973000 /nfs/dbraw/zinc/97/30/00/388973000.db2.gz RNLABDKHACTICE-NSHDSACASA-N 2 0 229.324 -0.519 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000565834010 325961232 /nfs/dbraw/zinc/96/12/32/325961232.db2.gz QVHLZOLVNQXFRN-AATLWQCWSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000565834011 325960737 /nfs/dbraw/zinc/96/07/37/325960737.db2.gz QVHLZOLVNQXFRN-KYXWUPHJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000565834012 388971740 /nfs/dbraw/zinc/97/17/40/388971740.db2.gz QVHLZOLVNQXFRN-YNFQOJQRSA-N 2 0 211.309 -0.068 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCCC[N@H+](C)CCOC ZINC000565842322 388972146 /nfs/dbraw/zinc/97/21/46/388972146.db2.gz CZEKDTJYRQGWGG-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP C[NH2+]CCCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000565889337 388976537 /nfs/dbraw/zinc/97/65/37/388976537.db2.gz BINSJPJSKQKEKE-UHFFFAOYSA-N 2 0 243.351 -0.176 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH+](CC2CC2)CC1 ZINC000565898474 388978480 /nfs/dbraw/zinc/97/84/80/388978480.db2.gz ROKVIXAIIMRQEU-CYBMUJFWSA-N 2 0 241.379 -0.016 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[NH+](CC2CC2)CC1 ZINC000565898481 325971673 /nfs/dbraw/zinc/97/16/73/325971673.db2.gz ROKVIXAIIMRQEU-ZDUSSCGKSA-N 2 0 241.379 -0.016 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000565902255 388977638 /nfs/dbraw/zinc/97/76/38/388977638.db2.gz OVAGZZBJJUVGSX-AEJSXWLSSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000565902262 388978322 /nfs/dbraw/zinc/97/83/22/388978322.db2.gz OVAGZZBJJUVGSX-BBBLOLIVSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000565902263 388978458 /nfs/dbraw/zinc/97/84/58/388978458.db2.gz OVAGZZBJJUVGSX-GUBZILKMSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000565902264 383908530 /nfs/dbraw/zinc/90/85/30/383908530.db2.gz OVAGZZBJJUVGSX-UTLUCORTSA-N 2 0 226.324 -0.273 20 0 BBADRP [NH3+]Cc1nnnn1CCC1CC[NH2+]CC1 ZINC000565948627 322950213 /nfs/dbraw/zinc/95/02/13/322950213.db2.gz FHVUPQUARRISJI-UHFFFAOYSA-N 2 0 210.285 -0.479 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000565950331 325977677 /nfs/dbraw/zinc/97/76/77/325977677.db2.gz DGMVKGMRSZIMMT-VHSXEESVSA-N 2 0 229.324 -0.787 20 0 BBADRP [NH3+]C1(C[NH2+]CCN2CC[NH2+]CC2)CCC1 ZINC000565951462 388980346 /nfs/dbraw/zinc/98/03/46/388980346.db2.gz QWRJRTXLAZKSQI-UHFFFAOYSA-N 3 0 212.341 -0.637 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000565951883 388980326 /nfs/dbraw/zinc/98/03/26/388980326.db2.gz JWDTUVZFNRRWCD-DTHBNOIPSA-N 2 0 241.335 -0.848 20 0 BBADRP C[C@@H](O)[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000566004769 322952435 /nfs/dbraw/zinc/95/24/35/322952435.db2.gz CJUQUMUZNFJBOK-GRYCIOLGSA-N 2 0 229.368 -0.019 20 0 BBADRP C[C@@H](O)[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000566004770 322952433 /nfs/dbraw/zinc/95/24/33/322952433.db2.gz CJUQUMUZNFJBOK-IJLUTSLNSA-N 2 0 229.368 -0.019 20 0 BBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H](C)O ZINC000566004771 322952505 /nfs/dbraw/zinc/95/25/05/322952505.db2.gz CJUQUMUZNFJBOK-UTUOFQBUSA-N 2 0 229.368 -0.019 20 0 BBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H](C)O ZINC000566004772 491122193 /nfs/dbraw/zinc/12/21/93/491122193.db2.gz CJUQUMUZNFJBOK-WOPDTQHZSA-N 2 0 229.368 -0.019 20 0 BBADRP CN(C(=O)COC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000566008698 325983353 /nfs/dbraw/zinc/98/33/53/325983353.db2.gz BDMOOMPSEXMYIY-UHFFFAOYSA-N 2 0 241.335 -0.297 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000566012693 388983688 /nfs/dbraw/zinc/98/36/88/388983688.db2.gz ORCKMHDXFLBDRU-GHMZBOCLSA-N 2 0 243.351 -0.323 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000566012694 388983512 /nfs/dbraw/zinc/98/35/12/388983512.db2.gz ORCKMHDXFLBDRU-WDEREUQCSA-N 2 0 243.351 -0.323 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000566014842 388983816 /nfs/dbraw/zinc/98/38/16/388983816.db2.gz VWEVLHSWNAUTPR-NEPJUHHUSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000566014843 325984369 /nfs/dbraw/zinc/98/43/69/325984369.db2.gz VWEVLHSWNAUTPR-NWDGAFQWSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000566014844 325984420 /nfs/dbraw/zinc/98/44/20/325984420.db2.gz VWEVLHSWNAUTPR-RYUDHWBXSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000566014845 325984233 /nfs/dbraw/zinc/98/42/33/325984233.db2.gz VWEVLHSWNAUTPR-VXGBXAGGSA-N 2 0 229.368 -0.017 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000566020316 325985807 /nfs/dbraw/zinc/98/58/07/325985807.db2.gz MKDPBUHHCXHVPD-GHMZBOCLSA-N 3 0 240.351 -0.722 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000566020317 325985771 /nfs/dbraw/zinc/98/57/71/325985771.db2.gz MKDPBUHHCXHVPD-MNOVXSKESA-N 3 0 240.351 -0.722 20 0 BBADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000566020318 388984881 /nfs/dbraw/zinc/98/48/81/388984881.db2.gz MKDPBUHHCXHVPD-QWRGUYRKSA-N 3 0 240.351 -0.722 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000566020319 325986114 /nfs/dbraw/zinc/98/61/14/325986114.db2.gz MKDPBUHHCXHVPD-WDEREUQCSA-N 3 0 240.351 -0.722 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000566067521 325989717 /nfs/dbraw/zinc/98/97/17/325989717.db2.gz LMOCYLMINUQVRR-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000566067522 325990081 /nfs/dbraw/zinc/99/00/81/325990081.db2.gz LMOCYLMINUQVRR-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000566100651 325994916 /nfs/dbraw/zinc/99/49/16/325994916.db2.gz BAOULWQZVHECCF-AATLWQCWSA-N 2 0 227.308 -0.844 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000566100652 325994953 /nfs/dbraw/zinc/99/49/53/325994953.db2.gz BAOULWQZVHECCF-AXTSPUMRSA-N 2 0 227.308 -0.844 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000566100653 388987159 /nfs/dbraw/zinc/98/71/59/388987159.db2.gz BAOULWQZVHECCF-QCLAVDOMSA-N 2 0 227.308 -0.844 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000566100654 325995168 /nfs/dbraw/zinc/99/51/68/325995168.db2.gz BAOULWQZVHECCF-SGIHWFKDSA-N 2 0 227.308 -0.844 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)C1([NH3+])CC1)C(F)(F)F ZINC000566103308 388987528 /nfs/dbraw/zinc/98/75/28/388987528.db2.gz FRYJJEXASNTHRT-RXMQYKEDSA-N 2 0 225.214 -0.126 20 0 BBADRP [NH3+]CC[C@H](NC(=O)C1([NH3+])CC1)C(F)(F)F ZINC000566103309 388987244 /nfs/dbraw/zinc/98/72/44/388987244.db2.gz FRYJJEXASNTHRT-YFKPBYRVSA-N 2 0 225.214 -0.126 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000566104049 325995623 /nfs/dbraw/zinc/99/56/23/325995623.db2.gz YPGVAJORHVVSHI-NTSWFWBYSA-N 2 0 227.230 -0.023 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000566104050 325995796 /nfs/dbraw/zinc/99/57/96/325995796.db2.gz YPGVAJORHVVSHI-PHDIDXHHSA-N 2 0 227.230 -0.023 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000566104051 325995500 /nfs/dbraw/zinc/99/55/00/325995500.db2.gz YPGVAJORHVVSHI-RITPCOANSA-N 2 0 227.230 -0.023 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000566104052 388988599 /nfs/dbraw/zinc/98/85/99/388988599.db2.gz YPGVAJORHVVSHI-WDSKDSINSA-N 2 0 227.230 -0.023 20 0 BBADRP CC[NH+]1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC000566107940 388988634 /nfs/dbraw/zinc/98/86/34/388988634.db2.gz QHCHBDCHSNIVNA-UHFFFAOYSA-N 2 0 242.323 -0.355 20 0 BBADRP [NH3+]C1(CNC(=O)CCOC2C[NH2+]C2)CCC1 ZINC000566187862 326008830 /nfs/dbraw/zinc/00/88/30/326008830.db2.gz GWRDSKPZOXZBLG-UHFFFAOYSA-N 2 0 227.308 -0.638 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566188232 385070252 /nfs/dbraw/zinc/07/02/52/385070252.db2.gz QVQQUGAVWJBTIT-GFCCVEGCSA-N 2 0 239.319 -0.813 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000566188235 322963278 /nfs/dbraw/zinc/96/32/78/322963278.db2.gz QVQQUGAVWJBTIT-LBPRGKRZSA-N 2 0 239.319 -0.813 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000566188326 326009585 /nfs/dbraw/zinc/00/95/85/326009585.db2.gz ZYIZYMGWWNEXAK-BDAKNGLRSA-N 2 0 243.307 -0.913 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000566188327 326008512 /nfs/dbraw/zinc/00/85/12/326008512.db2.gz ZYIZYMGWWNEXAK-RKDXNWHRSA-N 2 0 243.307 -0.913 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566189741 326009328 /nfs/dbraw/zinc/00/93/28/326009328.db2.gz WDFNQTWISXLGQI-GHMZBOCLSA-N 2 0 241.335 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566189743 326009334 /nfs/dbraw/zinc/00/93/34/326009334.db2.gz WDFNQTWISXLGQI-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566189745 326009392 /nfs/dbraw/zinc/00/93/92/326009392.db2.gz WDFNQTWISXLGQI-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566189747 326009340 /nfs/dbraw/zinc/00/93/40/326009340.db2.gz WDFNQTWISXLGQI-WDEREUQCSA-N 2 0 241.335 -0.567 20 0 BBADRP [NH3+]CCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000566192620 326010115 /nfs/dbraw/zinc/01/01/15/326010115.db2.gz PDFGNEDSOAHTTI-UHFFFAOYSA-N 2 0 222.292 -0.097 20 0 BBADRP [NH3+]CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000566195359 322963887 /nfs/dbraw/zinc/96/38/87/322963887.db2.gz MRZURCSRVFZLMA-SSDOTTSWSA-N 2 0 223.280 -0.825 20 0 BBADRP [NH3+]CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000566195360 322963837 /nfs/dbraw/zinc/96/38/37/322963837.db2.gz MRZURCSRVFZLMA-ZETCQYMHSA-N 2 0 223.280 -0.825 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC1CC[NH2+]CC1 ZINC000566195961 326010427 /nfs/dbraw/zinc/01/04/27/326010427.db2.gz VYSUWLOIOONZMQ-LLVKDONJSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC1CC[NH2+]CC1 ZINC000566196005 326010434 /nfs/dbraw/zinc/01/04/34/326010434.db2.gz VYSUWLOIOONZMQ-NSHDSACASA-N 2 0 241.335 -0.377 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000566200534 326011880 /nfs/dbraw/zinc/01/18/80/326011880.db2.gz ZFTJYQJAPHPXHW-AEJSXWLSSA-N 2 0 229.324 -0.536 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000566200535 326011978 /nfs/dbraw/zinc/01/19/78/326011978.db2.gz ZFTJYQJAPHPXHW-BBBLOLIVSA-N 2 0 229.324 -0.536 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000566200665 326011901 /nfs/dbraw/zinc/01/19/01/326011901.db2.gz WCVAUGCWRPMQBL-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000566200667 326005331 /nfs/dbraw/zinc/00/53/31/326005331.db2.gz WCVAUGCWRPMQBL-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CC1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000566203337 326012581 /nfs/dbraw/zinc/01/25/81/326012581.db2.gz KHNUINUVECJRNB-UHFFFAOYSA-N 2 0 241.335 -0.438 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000566203866 326012401 /nfs/dbraw/zinc/01/24/01/326012401.db2.gz NXKHTLAKRKPWLJ-BDAKNGLRSA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH2+]CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000566203867 326012522 /nfs/dbraw/zinc/01/25/22/326012522.db2.gz NXKHTLAKRKPWLJ-DTWKUNHWSA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000566203868 326012323 /nfs/dbraw/zinc/01/23/23/326012323.db2.gz NXKHTLAKRKPWLJ-IUCAKERBSA-N 2 0 201.314 -0.059 20 0 BBADRP C[NH2+]CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000566203869 326012432 /nfs/dbraw/zinc/01/24/32/326012432.db2.gz NXKHTLAKRKPWLJ-RKDXNWHRSA-N 2 0 201.314 -0.059 20 0 BBADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]1 ZINC000566203874 326011766 /nfs/dbraw/zinc/01/17/66/326011766.db2.gz OWHHWHRYINQGOW-JTQLQIEISA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]1 ZINC000566203875 326011616 /nfs/dbraw/zinc/01/16/16/326011616.db2.gz OWHHWHRYINQGOW-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)COC1CC[NH2+]CC1 ZINC000566205385 326012447 /nfs/dbraw/zinc/01/24/47/326012447.db2.gz ATGOQEOIMMQLGC-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000566205752 326012327 /nfs/dbraw/zinc/01/23/27/326012327.db2.gz NNPIDKUKEOHECN-SECBINFHSA-N 2 0 234.303 -0.026 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)CC[NH2+]1 ZINC000566206298 326013243 /nfs/dbraw/zinc/01/32/43/326013243.db2.gz WNENMFOCVBUNRX-BDAKNGLRSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@H]1C[C@H](NC(=O)COC2C[NH2+]C2)CC[NH2+]1 ZINC000566206299 326013205 /nfs/dbraw/zinc/01/32/05/326013205.db2.gz WNENMFOCVBUNRX-DTWKUNHWSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)COC2C[NH2+]C2)CC[NH2+]1 ZINC000566206300 326013095 /nfs/dbraw/zinc/01/30/95/326013095.db2.gz WNENMFOCVBUNRX-IUCAKERBSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)COC2C[NH2+]C2)CC[NH2+]1 ZINC000566206301 326012975 /nfs/dbraw/zinc/01/29/75/326012975.db2.gz WNENMFOCVBUNRX-RKDXNWHRSA-N 2 0 227.308 -0.769 20 0 BBADRP [NH3+][C@@H](CNC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000566206362 326013078 /nfs/dbraw/zinc/01/30/78/326013078.db2.gz JDYAJOSHKVSPPW-JTQLQIEISA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H](CNC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000566206363 326013136 /nfs/dbraw/zinc/01/31/36/326013136.db2.gz JDYAJOSHKVSPPW-SNVBAGLBSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)O1 ZINC000566206370 326013008 /nfs/dbraw/zinc/01/30/08/326013008.db2.gz NKCVWQKKSKALRI-BBBLOLIVSA-N 2 0 227.308 -0.654 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)O1 ZINC000566206371 326013259 /nfs/dbraw/zinc/01/32/59/326013259.db2.gz NKCVWQKKSKALRI-UTLUCORTSA-N 2 0 227.308 -0.654 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000566206421 326012981 /nfs/dbraw/zinc/01/29/81/326012981.db2.gz GNICAZRAEYPGDK-JTQLQIEISA-N 2 0 239.323 -0.642 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000566206422 326013187 /nfs/dbraw/zinc/01/31/87/326013187.db2.gz GNICAZRAEYPGDK-SNVBAGLBSA-N 2 0 239.323 -0.642 20 0 BBADRP [NH3+]Cc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000566206550 326013090 /nfs/dbraw/zinc/01/30/90/326013090.db2.gz GWGCBUSUEAYZDV-GFCCVEGCSA-N 2 0 249.314 -0.055 20 0 BBADRP [NH3+]Cc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000566206553 326013107 /nfs/dbraw/zinc/01/31/07/326013107.db2.gz GWGCBUSUEAYZDV-LBPRGKRZSA-N 2 0 249.314 -0.055 20 0 BBADRP COC[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000566206571 326013101 /nfs/dbraw/zinc/01/31/01/326013101.db2.gz QAMDBQLLLHMOLM-CMPLNLGQSA-N 2 0 241.335 -0.534 20 0 BBADRP COC[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000566206573 326013236 /nfs/dbraw/zinc/01/32/36/326013236.db2.gz QAMDBQLLLHMOLM-JQWIXIFHSA-N 2 0 241.335 -0.534 20 0 BBADRP COC[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000566206574 326013170 /nfs/dbraw/zinc/01/31/70/326013170.db2.gz QAMDBQLLLHMOLM-PWSUYJOCSA-N 2 0 241.335 -0.534 20 0 BBADRP COC[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000566206575 326012992 /nfs/dbraw/zinc/01/29/92/326012992.db2.gz QAMDBQLLLHMOLM-ZYHUDNBSSA-N 2 0 241.335 -0.534 20 0 BBADRP CC1(CNC(=O)COC2C[NH2+]C2)CC[NH2+]CC1 ZINC000566206668 326012999 /nfs/dbraw/zinc/01/29/99/326012999.db2.gz BSVRPIZXLMPHDX-UHFFFAOYSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000566206708 326013104 /nfs/dbraw/zinc/01/31/04/326013104.db2.gz IKINMRRVQZJERZ-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000566206709 326013046 /nfs/dbraw/zinc/01/30/46/326013046.db2.gz IKINMRRVQZJERZ-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000566206710 326013268 /nfs/dbraw/zinc/01/32/68/326013268.db2.gz IKINMRRVQZJERZ-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000566206711 326013148 /nfs/dbraw/zinc/01/31/48/326013148.db2.gz IKINMRRVQZJERZ-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000566206792 326013179 /nfs/dbraw/zinc/01/31/79/326013179.db2.gz UVBHUGXHDVIROC-JTQLQIEISA-N 2 0 241.335 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000566206793 326013291 /nfs/dbraw/zinc/01/32/91/326013291.db2.gz UVBHUGXHDVIROC-SNVBAGLBSA-N 2 0 241.335 -0.308 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000566207418 326013740 /nfs/dbraw/zinc/01/37/40/326013740.db2.gz DJBUEYCKGCWLQG-LLVKDONJSA-N 2 0 243.351 -0.097 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000566207419 326013674 /nfs/dbraw/zinc/01/36/74/326013674.db2.gz DJBUEYCKGCWLQG-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000566211538 326014502 /nfs/dbraw/zinc/01/45/02/326014502.db2.gz KCPBNFVWRXMNQB-HTQZYQBOSA-N 2 0 235.278 -0.045 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000566211548 326014401 /nfs/dbraw/zinc/01/44/01/326014401.db2.gz KCPBNFVWRXMNQB-JGVFFNPUSA-N 2 0 235.278 -0.045 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000566211549 326014462 /nfs/dbraw/zinc/01/44/62/326014462.db2.gz KCPBNFVWRXMNQB-SFYZADRCSA-N 2 0 235.278 -0.045 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000566211550 326014386 /nfs/dbraw/zinc/01/43/86/326014386.db2.gz KCPBNFVWRXMNQB-YUMQZZPRSA-N 2 0 235.278 -0.045 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566211972 326014435 /nfs/dbraw/zinc/01/44/35/326014435.db2.gz OPJRTYATMDZQJW-CMPLNLGQSA-N 2 0 242.367 -0.476 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566211974 326014522 /nfs/dbraw/zinc/01/45/22/326014522.db2.gz OPJRTYATMDZQJW-JQWIXIFHSA-N 2 0 242.367 -0.476 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566211977 326014492 /nfs/dbraw/zinc/01/44/92/326014492.db2.gz OPJRTYATMDZQJW-PWSUYJOCSA-N 2 0 242.367 -0.476 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566211979 326014376 /nfs/dbraw/zinc/01/43/76/326014376.db2.gz OPJRTYATMDZQJW-ZYHUDNBSSA-N 2 0 242.367 -0.476 20 0 BBADRP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000566212552 326014172 /nfs/dbraw/zinc/01/41/72/326014172.db2.gz GDMSBQHRQMAOEO-BXKDBHETSA-N 2 0 241.335 -0.582 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[NH2+]1 ZINC000566212772 326014264 /nfs/dbraw/zinc/01/42/64/326014264.db2.gz UGLQBZSOVRFOKN-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[NH2+]1 ZINC000566212775 326006042 /nfs/dbraw/zinc/00/60/42/326006042.db2.gz UGLQBZSOVRFOKN-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP C[NH2+]CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000566213220 326014784 /nfs/dbraw/zinc/01/47/84/326014784.db2.gz YDQQLEJGOLXZKB-RXMQYKEDSA-N 2 0 213.203 -0.398 20 0 BBADRP C[NH2+]CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000566213224 326014873 /nfs/dbraw/zinc/01/48/73/326014873.db2.gz YDQQLEJGOLXZKB-YFKPBYRVSA-N 2 0 213.203 -0.398 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000566213534 326014937 /nfs/dbraw/zinc/01/49/37/326014937.db2.gz VKSYPIMBWKOBOF-MRVPVSSYSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000566213535 326014906 /nfs/dbraw/zinc/01/49/06/326014906.db2.gz VKSYPIMBWKOBOF-QMMMGPOBSA-N 2 0 215.297 -0.830 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566213743 326015135 /nfs/dbraw/zinc/01/51/35/326015135.db2.gz DBJSRELIZJUMKW-OUAUKWLOSA-N 2 0 223.320 -0.194 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000566214361 326015204 /nfs/dbraw/zinc/01/52/04/326015204.db2.gz OLNPIVCWAOOOER-HLTSFMKQSA-N 2 0 215.297 -0.654 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000566214362 326015038 /nfs/dbraw/zinc/01/50/38/326015038.db2.gz OLNPIVCWAOOOER-YIZRAAEISA-N 2 0 215.297 -0.654 20 0 BBADRP C[C@H](C[NH3+])N(C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225372 326018443 /nfs/dbraw/zinc/01/84/43/326018443.db2.gz IRERZSGTNSPVIR-GHMZBOCLSA-N 2 0 242.367 -0.537 20 0 BBADRP C[C@H](C[NH3+])N(C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225373 326018610 /nfs/dbraw/zinc/01/86/10/326018610.db2.gz IRERZSGTNSPVIR-MNOVXSKESA-N 2 0 242.367 -0.537 20 0 BBADRP C[C@@H](C[NH3+])N(C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225374 326018223 /nfs/dbraw/zinc/01/82/23/326018223.db2.gz IRERZSGTNSPVIR-QWRGUYRKSA-N 2 0 242.367 -0.537 20 0 BBADRP C[C@@H](C[NH3+])N(C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566225375 326018162 /nfs/dbraw/zinc/01/81/62/326018162.db2.gz IRERZSGTNSPVIR-WDEREUQCSA-N 2 0 242.367 -0.537 20 0 BBADRP C(CN1CC[NH2+]CC1)[NH2+]CC1CC[NH2+]CC1 ZINC000566230288 326019234 /nfs/dbraw/zinc/01/92/34/326019234.db2.gz ZOEAKMHNXXCHBE-UHFFFAOYSA-N 3 0 226.368 -0.519 20 0 BBADRP C[NH2+]CCN(C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566230627 326019094 /nfs/dbraw/zinc/01/90/94/326019094.db2.gz TWOGFMNZGBGBRH-LLVKDONJSA-N 3 0 242.367 -0.665 20 0 BBADRP C[NH2+]CCN(C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000566230628 326018890 /nfs/dbraw/zinc/01/88/90/326018890.db2.gz TWOGFMNZGBGBRH-NSHDSACASA-N 3 0 242.367 -0.665 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000566237403 398330537 /nfs/dbraw/zinc/33/05/37/398330537.db2.gz SKVXFWGFZIIACJ-GRYCIOLGSA-N 2 0 249.314 -0.475 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000566237407 322978352 /nfs/dbraw/zinc/97/83/52/322978352.db2.gz SKVXFWGFZIIACJ-IJLUTSLNSA-N 2 0 249.314 -0.475 20 0 BBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]([NH3+])C1 ZINC000566244750 326022674 /nfs/dbraw/zinc/02/26/74/326022674.db2.gz KLKSMZZEXWJTEF-RDBSUJKOSA-N 2 0 249.358 -0.050 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000566245219 326022344 /nfs/dbraw/zinc/02/23/44/326022344.db2.gz LGEQSRDEAFHFEL-GFCCVEGCSA-N 3 0 240.395 -0.131 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000566245220 326022706 /nfs/dbraw/zinc/02/27/06/326022706.db2.gz LGEQSRDEAFHFEL-LBPRGKRZSA-N 3 0 240.395 -0.131 20 0 BBADRP CN(CC[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000566245526 326022496 /nfs/dbraw/zinc/02/24/96/326022496.db2.gz SOZVWTKWDXMIIK-STQMWFEESA-N 2 0 237.347 -0.192 20 0 BBADRP C[NH2+]CCN(C)CCN1CC[NH2+]CC1 ZINC000566245717 326022951 /nfs/dbraw/zinc/02/29/51/326022951.db2.gz QNQPUKVWTQHBGF-UHFFFAOYSA-N 2 0 200.330 -0.957 20 0 BBADRP OCC[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000566246221 326022629 /nfs/dbraw/zinc/02/26/29/326022629.db2.gz QMGLOAWAXYOGKN-UHFFFAOYSA-N 2 0 213.325 -0.652 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)C[C@H](C[NH3+])OC ZINC000566246851 385140962 /nfs/dbraw/zinc/14/09/62/385140962.db2.gz HRGQQHHFVQEWRS-SECBINFHSA-N 2 0 231.340 -0.016 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H](C[NH3+])OC ZINC000566246852 322979386 /nfs/dbraw/zinc/97/93/86/322979386.db2.gz HRGQQHHFVQEWRS-VIFPVBQESA-N 2 0 231.340 -0.016 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000566248744 326024012 /nfs/dbraw/zinc/02/40/12/326024012.db2.gz FWKXYKVMTDXMKP-SECBINFHSA-N 2 0 231.340 -0.288 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000566248745 326024214 /nfs/dbraw/zinc/02/42/14/326024214.db2.gz FWKXYKVMTDXMKP-VIFPVBQESA-N 2 0 231.340 -0.288 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000566248912 326024318 /nfs/dbraw/zinc/02/43/18/326024318.db2.gz NBQRPUFERPOJBT-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000566248918 326024269 /nfs/dbraw/zinc/02/42/69/326024269.db2.gz NBQRPUFERPOJBT-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000566248919 326023985 /nfs/dbraw/zinc/02/39/85/326023985.db2.gz NBQRPUFERPOJBT-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000566248920 326023975 /nfs/dbraw/zinc/02/39/75/326023975.db2.gz NBQRPUFERPOJBT-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566249109 326024188 /nfs/dbraw/zinc/02/41/88/326024188.db2.gz WSQVYNJGFDLFAB-YWVKMMECSA-N 2 0 209.293 -0.393 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000566249119 326019983 /nfs/dbraw/zinc/01/99/83/326019983.db2.gz XIKLUWUINAHZDG-KKZNHRDASA-N 2 0 209.293 -0.408 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000566249120 326019929 /nfs/dbraw/zinc/01/99/29/326019929.db2.gz XIKLUWUINAHZDG-YWVKMMECSA-N 2 0 209.293 -0.408 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566249297 326024207 /nfs/dbraw/zinc/02/42/07/326024207.db2.gz QZTSLXVDRKWUEY-KOLCDFICSA-N 2 0 227.308 -0.909 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000566250601 326024848 /nfs/dbraw/zinc/02/48/48/326024848.db2.gz AEYVXOFLACPFJJ-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000566250602 326024577 /nfs/dbraw/zinc/02/45/77/326024577.db2.gz AEYVXOFLACPFJJ-HBNTYKKESA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000566250803 326024655 /nfs/dbraw/zinc/02/46/55/326024655.db2.gz GWDCGJCMENPWEA-AXFHLTTASA-N 2 0 243.351 -0.146 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000566250807 326024652 /nfs/dbraw/zinc/02/46/52/326024652.db2.gz GWDCGJCMENPWEA-DCAQKATOSA-N 2 0 243.351 -0.146 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000566250809 326024866 /nfs/dbraw/zinc/02/48/66/326024866.db2.gz GWDCGJCMENPWEA-MXWKQRLJSA-N 2 0 243.351 -0.146 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000566250811 326024786 /nfs/dbraw/zinc/02/47/86/326024786.db2.gz GWDCGJCMENPWEA-VWYCJHECSA-N 2 0 243.351 -0.146 20 0 BBADRP [NH3+]CC[C@@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000566250890 326024623 /nfs/dbraw/zinc/02/46/23/326024623.db2.gz HKCIRZJUWSBRPY-JTQLQIEISA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CC[C@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000566250892 326024879 /nfs/dbraw/zinc/02/48/79/326024879.db2.gz HKCIRZJUWSBRPY-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566251010 326024605 /nfs/dbraw/zinc/02/46/05/326024605.db2.gz KRCYDURJLIKNTD-AXFHLTTASA-N 2 0 242.367 -0.620 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566251011 326024804 /nfs/dbraw/zinc/02/48/04/326024804.db2.gz KRCYDURJLIKNTD-DCAQKATOSA-N 2 0 242.367 -0.620 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566251012 326024592 /nfs/dbraw/zinc/02/45/92/326024592.db2.gz KRCYDURJLIKNTD-MXWKQRLJSA-N 2 0 242.367 -0.620 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566251013 326024751 /nfs/dbraw/zinc/02/47/51/326024751.db2.gz KRCYDURJLIKNTD-VWYCJHECSA-N 2 0 242.367 -0.620 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@]12C[C@H]1CC[NH2+]2 ZINC000566251273 326024837 /nfs/dbraw/zinc/02/48/37/326024837.db2.gz RCAXMTIJNFRHJA-MRTMQBJTSA-N 2 0 245.273 -0.148 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@]12C[C@H]1CC[NH2+]2 ZINC000566251275 326024643 /nfs/dbraw/zinc/02/46/43/326024643.db2.gz RCAXMTIJNFRHJA-WEDXCCLWSA-N 2 0 245.273 -0.148 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000566251520 326024647 /nfs/dbraw/zinc/02/46/47/326024647.db2.gz QYWORIOQHQUEFF-UKKRHICBSA-N 2 0 223.320 -0.066 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000566251888 326024678 /nfs/dbraw/zinc/02/46/78/326024678.db2.gz YOPCMMWLVHTZAP-SECBINFHSA-N 2 0 229.324 -0.521 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000566251890 326024793 /nfs/dbraw/zinc/02/47/93/326024793.db2.gz YOPCMMWLVHTZAP-VIFPVBQESA-N 2 0 229.324 -0.521 20 0 BBADRP COC1(C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000566252625 322979929 /nfs/dbraw/zinc/97/99/29/322979929.db2.gz HFJXOZFTMWZDEL-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCC[NH2+]C2CC2)O1 ZINC000566255849 326025084 /nfs/dbraw/zinc/02/50/84/326025084.db2.gz BWNOFIUPXDUHCO-MNOVXSKESA-N 2 0 241.335 -0.249 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](OC)C1 ZINC000566351090 326036230 /nfs/dbraw/zinc/03/62/30/326036230.db2.gz JWADQRCGWINJBX-UWVGGRQHSA-N 2 0 202.298 -0.323 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](OC)C1 ZINC000566351091 326036011 /nfs/dbraw/zinc/03/60/11/326036011.db2.gz JWADQRCGWINJBX-VHSXEESVSA-N 2 0 202.298 -0.323 20 0 BBADRP C[NH2+]CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000566405839 326039982 /nfs/dbraw/zinc/03/99/82/326039982.db2.gz CVVBBEVXZVLBDF-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP NCC(F)(F)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000566407349 384391031 /nfs/dbraw/zinc/39/10/31/384391031.db2.gz RSIHKVKBXARVCO-ZETCQYMHSA-N 2 0 221.251 -0.176 20 0 BBADRP C[N@@H+]1CC[C@@]2(CCN([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412659 326041512 /nfs/dbraw/zinc/04/15/12/326041512.db2.gz IYAJTYJCRVITDD-BXKDBHETSA-N 2 0 237.303 -0.571 20 0 BBADRP C[N@@H+]1CC[C@]2(CCN([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412660 326040934 /nfs/dbraw/zinc/04/09/34/326040934.db2.gz IYAJTYJCRVITDD-CABZTGNLSA-N 2 0 237.303 -0.571 20 0 BBADRP C[N@@H+]1CC[C@@]2(CCN([C@H]3CC(=O)NC3=O)C2)C1 ZINC000566412661 326041291 /nfs/dbraw/zinc/04/12/91/326041291.db2.gz IYAJTYJCRVITDD-JOYOIKCWSA-N 2 0 237.303 -0.571 20 0 BBADRP C[N@@H+]1CC[C@]2(CCN([C@@H]3CC(=O)NC3=O)C2)C1 ZINC000566412663 326041329 /nfs/dbraw/zinc/04/13/29/326041329.db2.gz IYAJTYJCRVITDD-SKDRFNHKSA-N 2 0 237.303 -0.571 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000566475368 326054313 /nfs/dbraw/zinc/05/43/13/326054313.db2.gz YTZDOVYNBQWKQA-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000566475369 326054288 /nfs/dbraw/zinc/05/42/88/326054288.db2.gz YTZDOVYNBQWKQA-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566507788 326060179 /nfs/dbraw/zinc/06/01/79/326060179.db2.gz BHFICFQCUGIBQJ-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000566507793 326060290 /nfs/dbraw/zinc/06/02/90/326060290.db2.gz BHFICFQCUGIBQJ-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000566508343 326060631 /nfs/dbraw/zinc/06/06/31/326060631.db2.gz HUKPDQHQDNCZDQ-IUCAKERBSA-N 2 0 212.297 -0.648 20 0 BBADRP COCC1(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000566508572 326060758 /nfs/dbraw/zinc/06/07/58/326060758.db2.gz WETKZIHXEIVMIC-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CC[C@H](NC(=O)N[C@H]1CC[NH2+]C1)C(F)F ZINC000566508938 326060547 /nfs/dbraw/zinc/06/05/47/326060547.db2.gz NDZWRCRDHBEJFV-BQBZGAKWSA-N 2 0 236.266 -0.370 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)C(F)F ZINC000566508942 326060814 /nfs/dbraw/zinc/06/08/14/326060814.db2.gz NDZWRCRDHBEJFV-NKWVEPMBSA-N 2 0 236.266 -0.370 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000566509217 326060750 /nfs/dbraw/zinc/06/07/50/326060750.db2.gz QQSDIKFYIHIUKK-AEJSXWLSSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000566509218 326060542 /nfs/dbraw/zinc/06/05/42/326060542.db2.gz QQSDIKFYIHIUKK-BBBLOLIVSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000566509220 326060735 /nfs/dbraw/zinc/06/07/35/326060735.db2.gz QQSDIKFYIHIUKK-GUBZILKMSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000566509222 326060683 /nfs/dbraw/zinc/06/06/83/326060683.db2.gz QQSDIKFYIHIUKK-UTLUCORTSA-N 2 0 226.324 -0.273 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000566509436 326060642 /nfs/dbraw/zinc/06/06/42/326060642.db2.gz SMZFWCFXXNBMCW-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000566509437 326060556 /nfs/dbraw/zinc/06/05/56/326060556.db2.gz SMZFWCFXXNBMCW-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000566513357 326061387 /nfs/dbraw/zinc/06/13/87/326061387.db2.gz WTGAIEOOPBPBLC-UHFFFAOYSA-N 2 0 246.355 -0.445 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000566556677 326063625 /nfs/dbraw/zinc/06/36/25/326063625.db2.gz UDXJKUCAWFOZLE-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(C(=O)NC[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000566556679 326063885 /nfs/dbraw/zinc/06/38/85/326063885.db2.gz UDXJKUCAWFOZLE-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000566560819 326064138 /nfs/dbraw/zinc/06/41/38/326064138.db2.gz KJVYWLYHYHFHOF-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000566560820 326061378 /nfs/dbraw/zinc/06/13/78/326061378.db2.gz KJVYWLYHYHFHOF-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](COC)C1 ZINC000566566681 326064639 /nfs/dbraw/zinc/06/46/39/326064639.db2.gz FNAGNUIUUMIVHV-GHMZBOCLSA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](COC)C1 ZINC000566566684 326064874 /nfs/dbraw/zinc/06/48/74/326064874.db2.gz FNAGNUIUUMIVHV-MNOVXSKESA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](COC)C1 ZINC000566566685 326064732 /nfs/dbraw/zinc/06/47/32/326064732.db2.gz FNAGNUIUUMIVHV-QWRGUYRKSA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](COC)C1 ZINC000566566686 326064675 /nfs/dbraw/zinc/06/46/75/326064675.db2.gz FNAGNUIUUMIVHV-WDEREUQCSA-N 2 0 216.325 -0.075 20 0 BBADRP [NH3+]CCCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000566572230 326065763 /nfs/dbraw/zinc/06/57/63/326065763.db2.gz BLRXMWMVEWUKTR-QMMMGPOBSA-N 2 0 200.286 -0.614 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCOC1C[NH2+]C1 ZINC000566615108 326067994 /nfs/dbraw/zinc/06/79/94/326067994.db2.gz LLWCDYNMRNVDMD-NXEZZACHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCOC1C[NH2+]C1 ZINC000566615113 326067978 /nfs/dbraw/zinc/06/79/78/326067978.db2.gz LLWCDYNMRNVDMD-UWVGGRQHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCOC1C[NH2+]C1 ZINC000566615114 326068096 /nfs/dbraw/zinc/06/80/96/326068096.db2.gz LLWCDYNMRNVDMD-VHSXEESVSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCOC1C[NH2+]C1 ZINC000566615117 326068063 /nfs/dbraw/zinc/06/80/63/326068063.db2.gz LLWCDYNMRNVDMD-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[NH2+]1 ZINC000566618648 323007326 /nfs/dbraw/zinc/00/73/26/323007326.db2.gz YKLVPTVABNLVEW-KOLCDFICSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000566621001 326069000 /nfs/dbraw/zinc/06/90/00/326069000.db2.gz RHABVFVNKXTYKC-CMPLNLGQSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000566621002 326068923 /nfs/dbraw/zinc/06/89/23/326068923.db2.gz RHABVFVNKXTYKC-JQWIXIFHSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000566621003 326068716 /nfs/dbraw/zinc/06/87/16/326068716.db2.gz RHABVFVNKXTYKC-PWSUYJOCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000566621004 326068906 /nfs/dbraw/zinc/06/89/06/326068906.db2.gz RHABVFVNKXTYKC-ZYHUDNBSSA-N 2 0 241.335 -0.519 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566672807 326072377 /nfs/dbraw/zinc/07/23/77/326072377.db2.gz ARSNWDNDXOLRJP-LNFKQOIKSA-N 2 0 241.335 -0.454 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566672808 326072531 /nfs/dbraw/zinc/07/25/31/326072531.db2.gz ARSNWDNDXOLRJP-UKKRHICBSA-N 2 0 241.335 -0.454 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566672809 326072473 /nfs/dbraw/zinc/07/24/73/326072473.db2.gz ARSNWDNDXOLRJP-XWLWVQCSSA-N 2 0 241.335 -0.454 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000566672810 326072388 /nfs/dbraw/zinc/07/23/88/326072388.db2.gz ARSNWDNDXOLRJP-ZRUFSTJUSA-N 2 0 241.335 -0.454 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566672837 323009683 /nfs/dbraw/zinc/00/96/83/323009683.db2.gz GAXQQMRCYJDJOO-BFLSOPEQSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566672838 323009729 /nfs/dbraw/zinc/00/97/29/323009729.db2.gz GAXQQMRCYJDJOO-GUDRVLHUSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566672839 323009637 /nfs/dbraw/zinc/00/96/37/323009637.db2.gz GAXQQMRCYJDJOO-KLBPJQLPSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566672840 323009677 /nfs/dbraw/zinc/00/96/77/323009677.db2.gz GAXQQMRCYJDJOO-XNDJQWLSSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566676955 326073019 /nfs/dbraw/zinc/07/30/19/326073019.db2.gz OUSSFZBACDYUEM-NXEZZACHSA-N 2 0 228.340 -0.785 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566676963 326073206 /nfs/dbraw/zinc/07/32/06/326073206.db2.gz OUSSFZBACDYUEM-UWVGGRQHSA-N 2 0 228.340 -0.785 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566676964 326073112 /nfs/dbraw/zinc/07/31/12/326073112.db2.gz OUSSFZBACDYUEM-VHSXEESVSA-N 2 0 228.340 -0.785 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566676965 326073045 /nfs/dbraw/zinc/07/30/45/326073045.db2.gz OUSSFZBACDYUEM-ZJUUUORDSA-N 2 0 228.340 -0.785 20 0 BBADRP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[NH2+]1 ZINC000566677370 326073445 /nfs/dbraw/zinc/07/34/45/326073445.db2.gz UBGANLNTZXLZQN-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)C[C@H]1C[NH2+]CCO1)C1(C[NH3+])CCC1 ZINC000566678965 326073673 /nfs/dbraw/zinc/07/36/73/326073673.db2.gz OBJAQRKSFDRKLQ-JTQLQIEISA-N 2 0 241.335 -0.295 20 0 BBADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)C1(C[NH3+])CCC1 ZINC000566678966 326073465 /nfs/dbraw/zinc/07/34/65/326073465.db2.gz OBJAQRKSFDRKLQ-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP CN(CCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000566679100 326073524 /nfs/dbraw/zinc/07/35/24/326073524.db2.gz UICFLOSBRLJSGA-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP CN(CCC(=O)N1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000566679105 326073712 /nfs/dbraw/zinc/07/37/12/326073712.db2.gz UICFLOSBRLJSGA-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566683298 326074083 /nfs/dbraw/zinc/07/40/83/326074083.db2.gz GSTHJZKHBCRMIS-SRVKXCTJSA-N 3 0 227.352 -0.359 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566683299 326074219 /nfs/dbraw/zinc/07/42/19/326074219.db2.gz GSTHJZKHBCRMIS-TUAOUCFPSA-N 3 0 227.352 -0.359 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566683300 326074095 /nfs/dbraw/zinc/07/40/95/326074095.db2.gz GSTHJZKHBCRMIS-UTUOFQBUSA-N 3 0 227.352 -0.359 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566683301 326072384 /nfs/dbraw/zinc/07/23/84/326072384.db2.gz GSTHJZKHBCRMIS-WOPDTQHZSA-N 2 0 227.352 -0.359 20 0 BBADRP COC[C@@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000566732804 326077339 /nfs/dbraw/zinc/07/73/39/326077339.db2.gz GPSGACMYSOKAQF-CMPLNLGQSA-N 2 0 241.335 -0.567 20 0 BBADRP COC[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000566732812 326077471 /nfs/dbraw/zinc/07/74/71/326077471.db2.gz GPSGACMYSOKAQF-JQWIXIFHSA-N 2 0 241.335 -0.567 20 0 BBADRP COC[C@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000566732813 326077372 /nfs/dbraw/zinc/07/73/72/326077372.db2.gz GPSGACMYSOKAQF-PWSUYJOCSA-N 2 0 241.335 -0.567 20 0 BBADRP COC[C@@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000566732814 326077303 /nfs/dbraw/zinc/07/73/03/326077303.db2.gz GPSGACMYSOKAQF-ZYHUDNBSSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000566736562 326078521 /nfs/dbraw/zinc/07/85/21/326078521.db2.gz FSFVRMJIQZWRRK-AEJSXWLSSA-N 2 0 211.309 -0.256 20 0 BBADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000566736563 326078558 /nfs/dbraw/zinc/07/85/58/326078558.db2.gz FSFVRMJIQZWRRK-BBBLOLIVSA-N 2 0 211.309 -0.256 20 0 BBADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000566737912 326078439 /nfs/dbraw/zinc/07/84/39/326078439.db2.gz KDLVUQOSWIQDDF-MXWKQRLJSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@H]1CC[N@H+](CCNC(=O)COC2C[NH2+]C2)C1 ZINC000566740080 326079039 /nfs/dbraw/zinc/07/90/39/326079039.db2.gz NFRXSPHPPCJWLV-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@@H]1CC[N@H+](CCNC(=O)COC2C[NH2+]C2)C1 ZINC000566740081 326078923 /nfs/dbraw/zinc/07/89/23/326078923.db2.gz NFRXSPHPPCJWLV-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000566792272 326083172 /nfs/dbraw/zinc/08/31/72/326083172.db2.gz PFMCYYZKRMLZED-HRDYMLBCSA-N 2 0 215.297 -0.783 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000566792273 326083121 /nfs/dbraw/zinc/08/31/21/326083121.db2.gz PFMCYYZKRMLZED-XHNCKOQMSA-N 2 0 215.297 -0.783 20 0 BBADRP O=C(COC1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C1 ZINC000566795663 326083389 /nfs/dbraw/zinc/08/33/89/326083389.db2.gz SCALKUGTYIZVAD-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000566795716 326083456 /nfs/dbraw/zinc/08/34/56/326083456.db2.gz VKCLBGRCVQOOPY-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000566795717 326082020 /nfs/dbraw/zinc/08/20/20/326082020.db2.gz VKCLBGRCVQOOPY-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000566795718 326082238 /nfs/dbraw/zinc/08/22/38/326082238.db2.gz VKCLBGRCVQOOPY-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000566795719 326082068 /nfs/dbraw/zinc/08/20/68/326082068.db2.gz VKCLBGRCVQOOPY-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566795800 326083462 /nfs/dbraw/zinc/08/34/62/326083462.db2.gz XDFCNWPKKUHSIH-DCAQKATOSA-N 2 0 243.351 -0.159 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566795803 326083078 /nfs/dbraw/zinc/08/30/78/326083078.db2.gz XDFCNWPKKUHSIH-GMTAPVOTSA-N 2 0 243.351 -0.159 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000566796026 326084096 /nfs/dbraw/zinc/08/40/96/326084096.db2.gz FXLKSOUNVHLQJV-NSHDSACASA-N 2 0 221.304 -0.027 20 0 BBADRP C[C@@]1(C[N@@H+]2CCC[C@@](O)(CO)C2)CC[NH2+]C1 ZINC000566797219 326083824 /nfs/dbraw/zinc/08/38/24/326083824.db2.gz SIFKXQZZJAUQOX-NEPJUHHUSA-N 2 0 228.336 -0.195 20 0 BBADRP C[C@]1(C[N@@H+]2CCC[C@](O)(CO)C2)CC[NH2+]C1 ZINC000566797221 326084028 /nfs/dbraw/zinc/08/40/28/326084028.db2.gz SIFKXQZZJAUQOX-NWDGAFQWSA-N 2 0 228.336 -0.195 20 0 BBADRP C[C@]1(C[N@@H+]2CCC[C@@](O)(CO)C2)CC[NH2+]C1 ZINC000566797222 326083970 /nfs/dbraw/zinc/08/39/70/326083970.db2.gz SIFKXQZZJAUQOX-RYUDHWBXSA-N 2 0 228.336 -0.195 20 0 BBADRP C[C@@]1(C[N@@H+]2CCC[C@](O)(CO)C2)CC[NH2+]C1 ZINC000566797223 326084047 /nfs/dbraw/zinc/08/40/47/326084047.db2.gz SIFKXQZZJAUQOX-VXGBXAGGSA-N 2 0 228.336 -0.195 20 0 BBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000566798154 326083921 /nfs/dbraw/zinc/08/39/21/326083921.db2.gz XWCAGDNGMCCOMS-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000566798155 326083637 /nfs/dbraw/zinc/08/36/37/326083637.db2.gz XWCAGDNGMCCOMS-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+]C1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCC1 ZINC000566853809 326088280 /nfs/dbraw/zinc/08/82/80/326088280.db2.gz INBYKPXDXZTINO-SECBINFHSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]C1(CNC(=O)C[C@H]2COCC[NH2+]2)CCC1 ZINC000566853810 326088258 /nfs/dbraw/zinc/08/82/58/326088258.db2.gz INBYKPXDXZTINO-VIFPVBQESA-N 2 0 227.308 -0.638 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000566859334 326088778 /nfs/dbraw/zinc/08/87/78/326088778.db2.gz UQWVXPXOFYVKOX-GXSJLCMTSA-N 2 0 231.340 -0.160 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000566859340 326089276 /nfs/dbraw/zinc/08/92/76/326089276.db2.gz UQWVXPXOFYVKOX-ONGXEEELSA-N 2 0 231.340 -0.160 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000566865371 326089987 /nfs/dbraw/zinc/08/99/87/326089987.db2.gz WAOHQDHYSBIZKF-SFYZADRCSA-N 2 0 200.286 -0.615 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000566865377 326090324 /nfs/dbraw/zinc/09/03/24/326090324.db2.gz WAOHQDHYSBIZKF-YUMQZZPRSA-N 2 0 200.286 -0.615 20 0 BBADRP CC(C)(C[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000566865741 326090320 /nfs/dbraw/zinc/09/03/20/326090320.db2.gz ZZTMOOALZMQQRQ-ZETCQYMHSA-N 2 0 200.286 -0.615 20 0 BBADRP CC(C)(O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566866183 326090327 /nfs/dbraw/zinc/09/03/27/326090327.db2.gz JACXFFFTOGXGGV-BDAKNGLRSA-N 2 0 227.308 -0.999 20 0 BBADRP CC(C)(O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566866184 326089972 /nfs/dbraw/zinc/08/99/72/326089972.db2.gz JACXFFFTOGXGGV-DTWKUNHWSA-N 2 0 227.308 -0.999 20 0 BBADRP CC(C)(O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566866185 326090247 /nfs/dbraw/zinc/09/02/47/326090247.db2.gz JACXFFFTOGXGGV-IUCAKERBSA-N 2 0 227.308 -0.999 20 0 BBADRP CC(C)(O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566866186 326086770 /nfs/dbraw/zinc/08/67/70/326086770.db2.gz JACXFFFTOGXGGV-RKDXNWHRSA-N 2 0 227.308 -0.999 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566909753 326092976 /nfs/dbraw/zinc/09/29/76/326092976.db2.gz SQMYUAXVJHCIOK-HOSYDEDBSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566909757 326092855 /nfs/dbraw/zinc/09/28/55/326092855.db2.gz SQMYUAXVJHCIOK-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000566913569 326093646 /nfs/dbraw/zinc/09/36/46/326093646.db2.gz DPDBZNXVBJLMIT-UWVGGRQHSA-N 2 0 229.324 -0.454 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000566913572 326093609 /nfs/dbraw/zinc/09/36/09/326093609.db2.gz DPDBZNXVBJLMIT-ZJUUUORDSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000566913618 326093594 /nfs/dbraw/zinc/09/35/94/326093594.db2.gz HLDSAJKIJDEULU-GHMZBOCLSA-N 2 0 243.351 -0.001 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000566913625 326093374 /nfs/dbraw/zinc/09/33/74/326093374.db2.gz HLDSAJKIJDEULU-MNOVXSKESA-N 2 0 243.351 -0.001 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000566913626 326093491 /nfs/dbraw/zinc/09/34/91/326093491.db2.gz HLDSAJKIJDEULU-QWRGUYRKSA-N 2 0 243.351 -0.001 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000566913627 326093642 /nfs/dbraw/zinc/09/36/42/326093642.db2.gz HLDSAJKIJDEULU-WDEREUQCSA-N 2 0 243.351 -0.001 20 0 BBADRP [NH3+]CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000566914136 326093392 /nfs/dbraw/zinc/09/33/92/326093392.db2.gz ZANAVZGSVNXREF-MRVPVSSYSA-N 2 0 237.307 -0.435 20 0 BBADRP [NH3+]CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000566914137 326093665 /nfs/dbraw/zinc/09/36/65/326093665.db2.gz ZANAVZGSVNXREF-QMMMGPOBSA-N 2 0 237.307 -0.435 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)F ZINC000566915453 326094012 /nfs/dbraw/zinc/09/40/12/326094012.db2.gz ZEHKRGUSULCSIV-BQBZGAKWSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)F ZINC000566915459 326094083 /nfs/dbraw/zinc/09/40/83/326094083.db2.gz ZEHKRGUSULCSIV-RQJHMYQMSA-N 2 0 221.251 -0.163 20 0 BBADRP NCC(F)(F)CC(=O)NCCn1ccnc1 ZINC000566921894 326094619 /nfs/dbraw/zinc/09/46/19/326094619.db2.gz KJOHGENNEDSUPO-UHFFFAOYSA-N 2 0 232.234 -0.017 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000566978432 326099802 /nfs/dbraw/zinc/09/98/02/326099802.db2.gz KQWXMDPQXGSDAP-KKOKHZNYSA-N 2 0 229.368 -0.067 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000566978433 326099775 /nfs/dbraw/zinc/09/97/75/326099775.db2.gz KQWXMDPQXGSDAP-KXNHARMFSA-N 2 0 229.368 -0.067 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000566978434 326099811 /nfs/dbraw/zinc/09/98/11/326099811.db2.gz KQWXMDPQXGSDAP-QCNOEVLYSA-N 2 0 229.368 -0.067 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000566978435 326099680 /nfs/dbraw/zinc/09/96/80/326099680.db2.gz KQWXMDPQXGSDAP-YFKTTZPYSA-N 2 0 229.368 -0.067 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N(C)CCC[NH3+] ZINC000566984324 326100384 /nfs/dbraw/zinc/10/03/84/326100384.db2.gz HIJNRVIKAAVCAI-SECBINFHSA-N 2 0 216.329 -0.025 20 0 BBADRP CN(CCC[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000566984940 326095773 /nfs/dbraw/zinc/09/57/73/326095773.db2.gz XIRXFOTXIFTZIK-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP CN(CCC[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000566984941 326095630 /nfs/dbraw/zinc/09/56/30/326095630.db2.gz XIRXFOTXIFTZIK-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000567052617 326107325 /nfs/dbraw/zinc/10/73/25/326107325.db2.gz DVRSQNUDRXEBQK-AEJSXWLSSA-N 2 0 249.380 -0.264 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000567052618 326107512 /nfs/dbraw/zinc/10/75/12/326107512.db2.gz DVRSQNUDRXEBQK-GUBZILKMSA-N 2 0 249.380 -0.264 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000567052619 326107849 /nfs/dbraw/zinc/10/78/49/326107849.db2.gz DVRSQNUDRXEBQK-IVZWLZJFSA-N 2 0 249.380 -0.264 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000567052620 326107653 /nfs/dbraw/zinc/10/76/53/326107653.db2.gz DVRSQNUDRXEBQK-LPEHRKFASA-N 2 0 249.380 -0.264 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@](C)(C[NH3+])C1 ZINC000567054742 326107784 /nfs/dbraw/zinc/10/77/84/326107784.db2.gz ZNMRQHMTOLTLNB-GHMZBOCLSA-N 2 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@](C)(C[NH3+])C1 ZINC000567054743 326107368 /nfs/dbraw/zinc/10/73/68/326107368.db2.gz ZNMRQHMTOLTLNB-MNOVXSKESA-N 2 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000567054744 326107644 /nfs/dbraw/zinc/10/76/44/326107644.db2.gz ZNMRQHMTOLTLNB-QWRGUYRKSA-N 2 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000567054745 326107430 /nfs/dbraw/zinc/10/74/30/326107430.db2.gz ZNMRQHMTOLTLNB-WDEREUQCSA-N 2 0 215.341 -0.373 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000567108904 326117570 /nfs/dbraw/zinc/11/75/70/326117570.db2.gz GIWSNYDVBGJPMX-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000567108905 326117676 /nfs/dbraw/zinc/11/76/76/326117676.db2.gz GIWSNYDVBGJPMX-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000567108906 326117622 /nfs/dbraw/zinc/11/76/22/326117622.db2.gz GIWSNYDVBGJPMX-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000567108907 326117833 /nfs/dbraw/zinc/11/78/33/326117833.db2.gz GIWSNYDVBGJPMX-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP COCC[NH2+]CC(=O)N(C)C1CC[NH2+]CC1 ZINC000567109526 326113962 /nfs/dbraw/zinc/11/39/62/326113962.db2.gz NUCHGHOQFCXKKY-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP O=C(CC[NH2+]C1CC1)N[C@@H]1CCC[NH2+]C1 ZINC000567123778 323121390 /nfs/dbraw/zinc/12/13/90/323121390.db2.gz SIIBXEGPKHINNN-SNVBAGLBSA-N 2 0 211.309 -0.003 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000567165276 326127225 /nfs/dbraw/zinc/12/72/25/326127225.db2.gz XMLZKBPJXJPBGM-VHSXEESVSA-N 2 0 209.293 -0.288 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH3+])CC1 ZINC000567165765 326127415 /nfs/dbraw/zinc/12/74/15/326127415.db2.gz ZJEAFULFBRISEZ-UHFFFAOYSA-N 2 0 243.351 -0.360 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCO1 ZINC000567166007 326127292 /nfs/dbraw/zinc/12/72/92/326127292.db2.gz IBNRGNHMFUYEIK-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCO1 ZINC000567166008 326127382 /nfs/dbraw/zinc/12/73/82/326127382.db2.gz IBNRGNHMFUYEIK-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCO1 ZINC000567166009 326127202 /nfs/dbraw/zinc/12/72/02/326127202.db2.gz IBNRGNHMFUYEIK-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCO1 ZINC000567166010 326127401 /nfs/dbraw/zinc/12/74/01/326127401.db2.gz IBNRGNHMFUYEIK-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000567167122 326127663 /nfs/dbraw/zinc/12/76/63/326127663.db2.gz DLOKFMLJUPSCTN-PHIMTYICSA-N 2 0 240.351 -0.865 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000567172646 326128740 /nfs/dbraw/zinc/12/87/40/326128740.db2.gz WWQKXSKGONSHDS-GHMZBOCLSA-N 2 0 233.331 -0.410 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000567172647 326128808 /nfs/dbraw/zinc/12/88/08/326128808.db2.gz WWQKXSKGONSHDS-MNOVXSKESA-N 2 0 233.331 -0.410 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000567172648 326128767 /nfs/dbraw/zinc/12/87/67/326128767.db2.gz WWQKXSKGONSHDS-QWRGUYRKSA-N 2 0 233.331 -0.410 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000567172649 326128694 /nfs/dbraw/zinc/12/86/94/326128694.db2.gz WWQKXSKGONSHDS-WDEREUQCSA-N 2 0 233.331 -0.410 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000567232812 326147234 /nfs/dbraw/zinc/14/72/34/326147234.db2.gz KZUIRXPGHFBBLU-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567233435 326147489 /nfs/dbraw/zinc/14/74/89/326147489.db2.gz NDBLINHWUCPKAL-BBBLOLIVSA-N 2 0 223.320 -0.195 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567233436 326147402 /nfs/dbraw/zinc/14/74/02/326147402.db2.gz NDBLINHWUCPKAL-LPEHRKFASA-N 2 0 223.320 -0.195 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000567233849 326148083 /nfs/dbraw/zinc/14/80/83/326148083.db2.gz AGQDXZGQMZZCFP-DTWKUNHWSA-N 2 0 229.324 -0.536 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000567233850 326147840 /nfs/dbraw/zinc/14/78/40/326147840.db2.gz AGQDXZGQMZZCFP-IUCAKERBSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000567267995 326153554 /nfs/dbraw/zinc/15/35/54/326153554.db2.gz XYIKCCLMUYOWGQ-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000567268770 323383726 /nfs/dbraw/zinc/38/37/26/323383726.db2.gz PVBFIFWAEHRWGQ-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000567268773 323383676 /nfs/dbraw/zinc/38/36/76/323383676.db2.gz PVBFIFWAEHRWGQ-GUBZILKMSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000567272069 326154558 /nfs/dbraw/zinc/15/45/58/326154558.db2.gz GUDGSSSRGNSMEH-JLIMGVALSA-N 2 0 229.324 -0.265 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000567272070 326154744 /nfs/dbraw/zinc/15/47/44/326154744.db2.gz GUDGSSSRGNSMEH-KYXWUPHJSA-N 2 0 229.324 -0.265 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000567272071 326154453 /nfs/dbraw/zinc/15/44/53/326154453.db2.gz GUDGSSSRGNSMEH-QEYWKRMJSA-N 2 0 229.324 -0.265 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000567272072 326154498 /nfs/dbraw/zinc/15/44/98/326154498.db2.gz GUDGSSSRGNSMEH-RGOKHQFPSA-N 2 0 229.324 -0.265 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000567350669 326171425 /nfs/dbraw/zinc/17/14/25/326171425.db2.gz SMCNCUUPUPYHDN-GXSJLCMTSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000567350670 326171636 /nfs/dbraw/zinc/17/16/36/326171636.db2.gz SMCNCUUPUPYHDN-KOLCDFICSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000567350671 326171402 /nfs/dbraw/zinc/17/14/02/326171402.db2.gz SMCNCUUPUPYHDN-MWLCHTKSSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000567350672 326171336 /nfs/dbraw/zinc/17/13/36/326171336.db2.gz SMCNCUUPUPYHDN-ONGXEEELSA-N 2 0 239.319 -0.815 20 0 BBADRP COCC[NH2+]CCNC(=O)c1coc(C[NH3+])c1 ZINC000567351391 326171896 /nfs/dbraw/zinc/17/18/96/326171896.db2.gz LLVNAVYPWLNTSQ-UHFFFAOYSA-N 2 0 241.291 -0.296 20 0 BBADRP C[C@@]1(CN2CCC(O)(C[NH3+])CC2)CC[NH2+]C1 ZINC000567352659 326172048 /nfs/dbraw/zinc/17/20/48/326172048.db2.gz JYNKSNAXZYPESA-LLVKDONJSA-N 2 0 227.352 -0.228 20 0 BBADRP C[C@]1(CN2CCC(O)(C[NH3+])CC2)CC[NH2+]C1 ZINC000567352660 326172066 /nfs/dbraw/zinc/17/20/66/326172066.db2.gz JYNKSNAXZYPESA-NSHDSACASA-N 2 0 227.352 -0.228 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000567353918 326172431 /nfs/dbraw/zinc/17/24/31/326172431.db2.gz OPMPNCGTEHTZLP-NXEZZACHSA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000567353919 326172620 /nfs/dbraw/zinc/17/26/20/326172620.db2.gz OPMPNCGTEHTZLP-VHSXEESVSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000567355486 326173107 /nfs/dbraw/zinc/17/31/07/326173107.db2.gz AFXOMHAGFPFCAY-LLVKDONJSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000567355487 326173228 /nfs/dbraw/zinc/17/32/28/326173228.db2.gz AFXOMHAGFPFCAY-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000567382876 326180282 /nfs/dbraw/zinc/18/02/82/326180282.db2.gz BMGGKJZXHOSQTK-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000567382877 326180319 /nfs/dbraw/zinc/18/03/19/326180319.db2.gz BMGGKJZXHOSQTK-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000567383879 326180720 /nfs/dbraw/zinc/18/07/20/326180720.db2.gz CBRKACNUICRUMH-FXPVBKGRSA-N 2 0 211.309 -0.208 20 0 BBADRP Nc1ncc(C[NH2+]CCN2CC[NH2+]CC2)s1 ZINC000567385943 411964941 /nfs/dbraw/zinc/96/49/41/411964941.db2.gz XUYYYGZPQWUAGT-UHFFFAOYSA-N 2 0 241.364 -0.280 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC000567486802 326202620 /nfs/dbraw/zinc/20/26/20/326202620.db2.gz VOXPDDAXYCTIJZ-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)C[C@H](C[NH3+])OC ZINC000567500077 326205285 /nfs/dbraw/zinc/20/52/85/326205285.db2.gz GWMCXEURZWAEBO-SECBINFHSA-N 2 0 231.340 -0.016 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)C[C@@H](C[NH3+])OC ZINC000567500078 326205467 /nfs/dbraw/zinc/20/54/67/326205467.db2.gz GWMCXEURZWAEBO-VIFPVBQESA-N 2 0 231.340 -0.016 20 0 BBADRP [NH3+]CCC1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000567514219 326208531 /nfs/dbraw/zinc/20/85/31/326208531.db2.gz GLYKTSBELYCQJY-UHFFFAOYSA-N 2 0 241.335 -0.438 20 0 BBADRP C[NH2+][C@@H](C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000567519351 412295558 /nfs/dbraw/zinc/29/55/58/412295558.db2.gz HICWDGXJDZQYAR-VIFPVBQESA-N 2 0 239.323 -0.009 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000567580555 326221697 /nfs/dbraw/zinc/22/16/97/326221697.db2.gz DJXXLLMTDCZFSM-AXFHLTTASA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000567580556 326221850 /nfs/dbraw/zinc/22/18/50/326221850.db2.gz DJXXLLMTDCZFSM-DCAQKATOSA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000567580557 326221815 /nfs/dbraw/zinc/22/18/15/326221815.db2.gz DJXXLLMTDCZFSM-GARJFASQSA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000567580558 326221802 /nfs/dbraw/zinc/22/18/02/326221802.db2.gz DJXXLLMTDCZFSM-HBNTYKKESA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000567587664 326223611 /nfs/dbraw/zinc/22/36/11/326223611.db2.gz ZMFXCYUZQGFXLN-NXEZZACHSA-N 2 0 228.340 -0.866 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000567587665 326223332 /nfs/dbraw/zinc/22/33/32/326223332.db2.gz ZMFXCYUZQGFXLN-UWVGGRQHSA-N 2 0 228.340 -0.866 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000567587666 326223349 /nfs/dbraw/zinc/22/33/49/326223349.db2.gz ZMFXCYUZQGFXLN-VHSXEESVSA-N 2 0 228.340 -0.866 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000567587667 326223478 /nfs/dbraw/zinc/22/34/78/326223478.db2.gz ZMFXCYUZQGFXLN-ZJUUUORDSA-N 2 0 228.340 -0.866 20 0 BBADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CCN1CC[NH2+]CC1 ZINC000567589383 326223887 /nfs/dbraw/zinc/22/38/87/326223887.db2.gz KOLNMVXDHFEMSS-CHWSQXEVSA-N 2 0 240.395 -0.084 20 0 BBADRP C[C@@H]1CN(CCN2CC[NH2+]CC2)[C@@H](C)C[N@@H+]1C ZINC000567589384 326224214 /nfs/dbraw/zinc/22/42/14/326224214.db2.gz KOLNMVXDHFEMSS-OLZOCXBDSA-N 2 0 240.395 -0.084 20 0 BBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000567589385 326224120 /nfs/dbraw/zinc/22/41/20/326224120.db2.gz KOLNMVXDHFEMSS-QWHCGFSZSA-N 2 0 240.395 -0.084 20 0 BBADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000567589386 326224290 /nfs/dbraw/zinc/22/42/90/326224290.db2.gz KOLNMVXDHFEMSS-STQMWFEESA-N 2 0 240.395 -0.084 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000567589980 326224614 /nfs/dbraw/zinc/22/46/14/326224614.db2.gz LSDJHYSQOPEKKI-LLVKDONJSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000567589981 326224826 /nfs/dbraw/zinc/22/48/26/326224826.db2.gz LSDJHYSQOPEKKI-NSHDSACASA-N 2 0 241.335 -0.377 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567595285 326225267 /nfs/dbraw/zinc/22/52/67/326225267.db2.gz AYAKYQXCJPQCJJ-SRVKXCTJSA-N 2 0 227.352 -0.502 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567595286 326224575 /nfs/dbraw/zinc/22/45/75/326224575.db2.gz AYAKYQXCJPQCJJ-TUAOUCFPSA-N 3 0 227.352 -0.502 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567595287 326224650 /nfs/dbraw/zinc/22/46/50/326224650.db2.gz AYAKYQXCJPQCJJ-UTUOFQBUSA-N 3 0 227.352 -0.502 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567595288 326224634 /nfs/dbraw/zinc/22/46/34/326224634.db2.gz AYAKYQXCJPQCJJ-WOPDTQHZSA-N 3 0 227.352 -0.502 20 0 BBADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567611944 326229142 /nfs/dbraw/zinc/22/91/42/326229142.db2.gz XCAXXXSMKPMTDM-LSCVPOLPSA-N 2 0 235.331 -0.336 20 0 BBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567611945 326228408 /nfs/dbraw/zinc/22/84/08/326228408.db2.gz XCAXXXSMKPMTDM-NOHGZBONSA-N 2 0 235.331 -0.336 20 0 BBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567611946 326228405 /nfs/dbraw/zinc/22/84/05/326228405.db2.gz XCAXXXSMKPMTDM-SRRSOLGSSA-N 2 0 235.331 -0.336 20 0 BBADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567611947 326228430 /nfs/dbraw/zinc/22/84/30/326228430.db2.gz XCAXXXSMKPMTDM-XZUYRWCXSA-N 2 0 235.331 -0.336 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000567612655 326228937 /nfs/dbraw/zinc/22/89/37/326228937.db2.gz ZVWDVXXSMSEOTN-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000567612656 326229104 /nfs/dbraw/zinc/22/91/04/326229104.db2.gz ZVWDVXXSMSEOTN-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP O=C(N1CCC[NH2+]CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000567614030 326229382 /nfs/dbraw/zinc/22/93/82/326229382.db2.gz ZMKSWDUQIHQBKH-KOLCDFICSA-N 2 0 209.293 -0.440 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567668787 326241663 /nfs/dbraw/zinc/24/16/63/326241663.db2.gz USIOLCOHRXSGRI-BFLSOPEQSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567668788 326241909 /nfs/dbraw/zinc/24/19/09/326241909.db2.gz USIOLCOHRXSGRI-SVDPJWKOSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567668789 326241939 /nfs/dbraw/zinc/24/19/39/326241939.db2.gz USIOLCOHRXSGRI-WYFGTUCQSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567668790 326241804 /nfs/dbraw/zinc/24/18/04/326241804.db2.gz USIOLCOHRXSGRI-XNDJQWLSSA-N 2 0 223.320 -0.147 20 0 BBADRP COC[C@@]1(CNC(=O)[C@H]2CC[NH2+]2)CCC[NH2+]1 ZINC000567672129 326242580 /nfs/dbraw/zinc/24/25/80/326242580.db2.gz FEXIMMJCACZTQQ-KOLCDFICSA-N 2 0 227.308 -0.767 20 0 BBADRP COC[C@]1(CNC(=O)[C@H]2CC[NH2+]2)CCC[NH2+]1 ZINC000567672130 326242625 /nfs/dbraw/zinc/24/26/25/326242625.db2.gz FEXIMMJCACZTQQ-MWLCHTKSSA-N 2 0 227.308 -0.767 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000567673599 326242664 /nfs/dbraw/zinc/24/26/64/326242664.db2.gz WGILFLIMLZNJRR-GHMZBOCLSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000567673600 326242532 /nfs/dbraw/zinc/24/25/32/326242532.db2.gz WGILFLIMLZNJRR-MNOVXSKESA-N 2 0 243.351 -0.131 20 0 BBADRP CC(C)(C[NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000567674924 326243017 /nfs/dbraw/zinc/24/30/17/326243017.db2.gz PDBQYLLUUNCDSN-MRVPVSSYSA-N 2 0 215.297 -0.924 20 0 BBADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000567674925 326243002 /nfs/dbraw/zinc/24/30/02/326243002.db2.gz PDBQYLLUUNCDSN-QMMMGPOBSA-N 2 0 215.297 -0.924 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000567678824 326243882 /nfs/dbraw/zinc/24/38/82/326243882.db2.gz AWZSHZLEPHOFOW-KXUCPTDWSA-N 2 0 227.308 -0.816 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000567678825 326243925 /nfs/dbraw/zinc/24/39/25/326243925.db2.gz AWZSHZLEPHOFOW-LPEHRKFASA-N 2 0 227.308 -0.816 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000567679758 326244088 /nfs/dbraw/zinc/24/40/88/326244088.db2.gz FCYDUKYEJBHWNW-KXUCPTDWSA-N 2 0 227.308 -0.816 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C1 ZINC000567679759 326243901 /nfs/dbraw/zinc/24/39/01/326243901.db2.gz FCYDUKYEJBHWNW-LPEHRKFASA-N 2 0 227.308 -0.816 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000567731882 326252699 /nfs/dbraw/zinc/25/26/99/326252699.db2.gz BZLQFJGGWLYFBE-JTQLQIEISA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000567731883 326252807 /nfs/dbraw/zinc/25/28/07/326252807.db2.gz BZLQFJGGWLYFBE-SNVBAGLBSA-N 2 0 229.324 -0.487 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000567733319 326252837 /nfs/dbraw/zinc/25/28/37/326252837.db2.gz CHHMNYSFWFFTID-JTQLQIEISA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000567733320 326252726 /nfs/dbraw/zinc/25/27/26/326252726.db2.gz CHHMNYSFWFFTID-SNVBAGLBSA-N 2 0 241.335 -0.390 20 0 BBADRP C[C@@H]1CN(CCN2CC[C@@H]([NH3+])C2)CCO1 ZINC000567735286 326253137 /nfs/dbraw/zinc/25/31/37/326253137.db2.gz CKIUIGWLVFPCDN-GHMZBOCLSA-N 2 0 213.325 -0.260 20 0 BBADRP C[C@H]1CN(CCN2CC[C@@H]([NH3+])C2)CCO1 ZINC000567735287 326253228 /nfs/dbraw/zinc/25/32/28/326253228.db2.gz CKIUIGWLVFPCDN-WDEREUQCSA-N 2 0 213.325 -0.260 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000567736339 326253194 /nfs/dbraw/zinc/25/31/94/326253194.db2.gz UOWHJZBNJNIVBH-QMMMGPOBSA-N 2 0 215.297 -0.700 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)C[NH2+]C1CC1 ZINC000567779365 326257790 /nfs/dbraw/zinc/25/77/90/326257790.db2.gz MSFDWKLLMBFNJK-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000567801207 326259478 /nfs/dbraw/zinc/25/94/78/326259478.db2.gz HLOLDRXAXFCJQE-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000567801208 326259461 /nfs/dbraw/zinc/25/94/61/326259461.db2.gz HLOLDRXAXFCJQE-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)CC[NH2+]1 ZINC000567815388 411150078 /nfs/dbraw/zinc/15/00/78/411150078.db2.gz YNKIECJEXJVJFU-SECBINFHSA-N 2 0 234.303 -0.026 20 0 BBADRP [NH3+]CCCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000567817480 326262481 /nfs/dbraw/zinc/26/24/81/326262481.db2.gz SYMOQXDAIHRLST-LLVKDONJSA-N 2 0 240.351 -0.769 20 0 BBADRP [NH3+]CCCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000567817481 326260052 /nfs/dbraw/zinc/26/00/52/326260052.db2.gz SYMOQXDAIHRLST-NSHDSACASA-N 2 0 240.351 -0.769 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000567821515 326263482 /nfs/dbraw/zinc/26/34/82/326263482.db2.gz AYARLDJIGKFNMA-LLVKDONJSA-N 2 0 243.351 -0.313 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000567824926 326264367 /nfs/dbraw/zinc/26/43/67/326264367.db2.gz LKWHVYIVKRNXLF-NXEZZACHSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000567824927 326264372 /nfs/dbraw/zinc/26/43/72/326264372.db2.gz LKWHVYIVKRNXLF-UWVGGRQHSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000567824928 326264649 /nfs/dbraw/zinc/26/46/49/326264649.db2.gz LKWHVYIVKRNXLF-VHSXEESVSA-N 2 0 213.325 -0.009 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000567824929 326264371 /nfs/dbraw/zinc/26/43/71/326264371.db2.gz LKWHVYIVKRNXLF-ZJUUUORDSA-N 2 0 213.325 -0.009 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000567829796 326265531 /nfs/dbraw/zinc/26/55/31/326265531.db2.gz QKFQBTCQQIAGHU-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000567829797 326265439 /nfs/dbraw/zinc/26/54/39/326265439.db2.gz QKFQBTCQQIAGHU-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000567831174 326265967 /nfs/dbraw/zinc/26/59/67/326265967.db2.gz RMTKLIXMRVUDBZ-BBBLOLIVSA-N 2 0 227.308 -0.654 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000567831175 326265875 /nfs/dbraw/zinc/26/58/75/326265875.db2.gz RMTKLIXMRVUDBZ-UTLUCORTSA-N 2 0 227.308 -0.654 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000567831828 323091256 /nfs/dbraw/zinc/09/12/56/323091256.db2.gz WSJAXGVBFPVAJN-IVZWLZJFSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000567831829 323091265 /nfs/dbraw/zinc/09/12/65/323091265.db2.gz WSJAXGVBFPVAJN-KXUCPTDWSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000567831830 323091231 /nfs/dbraw/zinc/09/12/31/323091231.db2.gz WSJAXGVBFPVAJN-LPEHRKFASA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000567831831 323091235 /nfs/dbraw/zinc/09/12/35/323091235.db2.gz WSJAXGVBFPVAJN-OPRDCNLKSA-N 2 0 229.324 -0.454 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000567832055 326265815 /nfs/dbraw/zinc/26/58/15/326265815.db2.gz LNSHZPNZYCLEKB-GMSGAONNSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000567832056 326265811 /nfs/dbraw/zinc/26/58/11/326265811.db2.gz LNSHZPNZYCLEKB-OIBJUYFYSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000567832057 326265869 /nfs/dbraw/zinc/26/58/69/326265869.db2.gz LNSHZPNZYCLEKB-XCBNKYQSSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000567832058 326265771 /nfs/dbraw/zinc/26/57/71/326265771.db2.gz LNSHZPNZYCLEKB-XVKPBYJWSA-N 2 0 211.309 -0.020 20 0 BBADRP CC[NH2+]CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000567834345 326266325 /nfs/dbraw/zinc/26/63/25/326266325.db2.gz PWDWLXFPMOHIBD-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP CC[NH2+]CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000567834346 326266335 /nfs/dbraw/zinc/26/63/35/326266335.db2.gz PWDWLXFPMOHIBD-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP CC[NH2+]CCCNC(=O)CCOC1C[NH2+]C1 ZINC000567834362 326266204 /nfs/dbraw/zinc/26/62/04/326266204.db2.gz RUGKMJSIDKJLLS-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H](C[NH3+])OC)C1 ZINC000567834631 326266349 /nfs/dbraw/zinc/26/63/49/326266349.db2.gz QBRLXSADWMLNLE-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H](C[NH3+])OC)C1 ZINC000567834632 326266152 /nfs/dbraw/zinc/26/61/52/326266152.db2.gz QBRLXSADWMLNLE-UWVGGRQHSA-N 2 0 229.324 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/nfs/dbraw/zinc/26/87/99/326268799.db2.gz JZJRKNZRHSSLQA-ZETCQYMHSA-N 2 0 221.251 -0.291 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1[NH3+] ZINC000567845194 326269098 /nfs/dbraw/zinc/26/90/98/326269098.db2.gz NWRBEPCGEMSQJV-IMSYWVGJSA-N 2 0 227.308 -0.702 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H]1[NH3+] ZINC000567845195 326268977 /nfs/dbraw/zinc/26/89/77/326268977.db2.gz NWRBEPCGEMSQJV-JLIMGVALSA-N 2 0 227.308 -0.702 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1[NH3+] ZINC000567845196 326268922 /nfs/dbraw/zinc/26/89/22/326268922.db2.gz NWRBEPCGEMSQJV-JXUBOQSCSA-N 2 0 227.308 -0.702 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H]1[NH3+] ZINC000567845197 326269205 /nfs/dbraw/zinc/26/92/05/326269205.db2.gz NWRBEPCGEMSQJV-KYXWUPHJSA-N 2 0 227.308 -0.702 20 0 BBADRP C[NH2+]CCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000567845355 326268875 /nfs/dbraw/zinc/26/88/75/326268875.db2.gz UNESGDQUWCJYDR-LURJTMIESA-N 2 0 209.240 -0.305 20 0 BBADRP C[NH2+]CCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000567845356 326268940 /nfs/dbraw/zinc/26/89/40/326268940.db2.gz UNESGDQUWCJYDR-ZCFIWIBFSA-N 2 0 209.240 -0.305 20 0 BBADRP [NH3+]CC[C@H](NC(=O)C1([NH3+])CCC1)C(F)F ZINC000567845680 326268915 /nfs/dbraw/zinc/26/89/15/326268915.db2.gz CGKNBHXBKKBRLQ-LURJTMIESA-N 2 0 221.251 -0.034 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)C1([NH3+])CCC1)C(F)F ZINC000567845681 326268836 /nfs/dbraw/zinc/26/88/36/326268836.db2.gz CGKNBHXBKKBRLQ-ZCFIWIBFSA-N 2 0 221.251 -0.034 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000567845812 326269124 /nfs/dbraw/zinc/26/91/24/326269124.db2.gz IRSDUYQXHDOIPF-UWVGGRQHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000567845813 326268950 /nfs/dbraw/zinc/26/89/50/326268950.db2.gz IRSDUYQXHDOIPF-ZJUUUORDSA-N 2 0 229.324 -0.536 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000567846042 326269121 /nfs/dbraw/zinc/26/91/21/326269121.db2.gz SEGMYJVMAMMHGJ-GHMZBOCLSA-N 2 0 243.351 -0.131 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000567846043 326268912 /nfs/dbraw/zinc/26/89/12/326268912.db2.gz SEGMYJVMAMMHGJ-MNOVXSKESA-N 2 0 243.351 -0.131 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000567846044 326269116 /nfs/dbraw/zinc/26/91/16/326269116.db2.gz SEGMYJVMAMMHGJ-QWRGUYRKSA-N 2 0 243.351 -0.131 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000567846045 326269072 /nfs/dbraw/zinc/26/90/72/326269072.db2.gz SEGMYJVMAMMHGJ-WDEREUQCSA-N 2 0 243.351 -0.131 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000567846055 326268963 /nfs/dbraw/zinc/26/89/63/326268963.db2.gz SIENCLBHEAHQEQ-HOSYDEDBSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000567846056 326269059 /nfs/dbraw/zinc/26/90/59/326269059.db2.gz SIENCLBHEAHQEQ-JBLDHEPKSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000567846057 326269068 /nfs/dbraw/zinc/26/90/68/326269068.db2.gz SIENCLBHEAHQEQ-NHCYSSNCSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000567846058 326269006 /nfs/dbraw/zinc/26/90/06/326269006.db2.gz SIENCLBHEAHQEQ-UMNHJUIQSA-N 2 0 239.319 -0.909 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000567846429 326269040 /nfs/dbraw/zinc/26/90/40/326269040.db2.gz APPPIAUCKDNBEW-BBBLOLIVSA-N 2 0 227.308 -0.830 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000567846430 326268994 /nfs/dbraw/zinc/26/89/94/326268994.db2.gz APPPIAUCKDNBEW-UTLUCORTSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567846538 326268848 /nfs/dbraw/zinc/26/88/48/326268848.db2.gz GNIQMTGSGOTQHG-CRCLSJGQSA-N 2 0 213.203 -0.271 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567846539 326268867 /nfs/dbraw/zinc/26/88/67/326268867.db2.gz GNIQMTGSGOTQHG-RFZPGFLSSA-N 2 0 213.203 -0.271 20 0 BBADRP C[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567846540 326268924 /nfs/dbraw/zinc/26/89/24/326268924.db2.gz GNIQMTGSGOTQHG-UHNVWZDZSA-N 2 0 213.203 -0.271 20 0 BBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567846541 326268988 /nfs/dbraw/zinc/26/89/88/326268988.db2.gz GNIQMTGSGOTQHG-WHFBIAKZSA-N 2 0 213.203 -0.271 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000567847430 326269308 /nfs/dbraw/zinc/26/93/08/326269308.db2.gz MVWOHJWPNWFKST-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000567847431 326269364 /nfs/dbraw/zinc/26/93/64/326269364.db2.gz MVWOHJWPNWFKST-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C(C[NH2+][C@@H]1CCCNC1)CN1CC[NH2+]CC1 ZINC000567870826 326273616 /nfs/dbraw/zinc/27/36/16/326273616.db2.gz PQEVGJLBCNBACZ-GFCCVEGCSA-N 2 0 226.368 -0.377 20 0 BBADRP C(C[NH2+][C@H]1CCCNC1)CN1CC[NH2+]CC1 ZINC000567870827 326273914 /nfs/dbraw/zinc/27/39/14/326273914.db2.gz PQEVGJLBCNBACZ-LBPRGKRZSA-N 2 0 226.368 -0.377 20 0 BBADRP CN1CCNC[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000567870922 326274068 /nfs/dbraw/zinc/27/40/68/326274068.db2.gz YNSOERRWDAIQGL-GFCCVEGCSA-N 2 0 226.368 -0.521 20 0 BBADRP CN1CCNC[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000567870923 326274168 /nfs/dbraw/zinc/27/41/68/326274168.db2.gz YNSOERRWDAIQGL-LBPRGKRZSA-N 2 0 226.368 -0.521 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567884880 326276728 /nfs/dbraw/zinc/27/67/28/326276728.db2.gz PTXUANMSDCDOKH-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP CC[NH2+]CCCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000567885156 326276535 /nfs/dbraw/zinc/27/65/35/326276535.db2.gz XLODMZYYNNCBCQ-UHFFFAOYSA-N 2 0 243.351 -0.129 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC1CC[NH2+]CC1 ZINC000567885215 326276147 /nfs/dbraw/zinc/27/61/47/326276147.db2.gz BCNSGMKZHHKSBK-UHFFFAOYSA-N 2 0 220.276 -0.024 20 0 BBADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000567889780 326276955 /nfs/dbraw/zinc/27/69/55/326276955.db2.gz URTZVDPXMMIFGU-NXEZZACHSA-N 2 0 223.324 -0.286 20 0 BBADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1nccn1C ZINC000567889781 326277034 /nfs/dbraw/zinc/27/70/34/326277034.db2.gz URTZVDPXMMIFGU-UWVGGRQHSA-N 2 0 223.324 -0.286 20 0 BBADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000567889782 326276998 /nfs/dbraw/zinc/27/69/98/326276998.db2.gz URTZVDPXMMIFGU-VHSXEESVSA-N 2 0 223.324 -0.286 20 0 BBADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1nccn1C ZINC000567889783 326277208 /nfs/dbraw/zinc/27/72/08/326277208.db2.gz URTZVDPXMMIFGU-ZJUUUORDSA-N 2 0 223.324 -0.286 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000567891009 326277571 /nfs/dbraw/zinc/27/75/71/326277571.db2.gz UQBXERPBBILHSQ-NXEZZACHSA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000567891010 326277635 /nfs/dbraw/zinc/27/76/35/326277635.db2.gz UQBXERPBBILHSQ-ZJUUUORDSA-N 2 0 227.308 -0.909 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000567897988 326279487 /nfs/dbraw/zinc/27/94/87/326279487.db2.gz WHOPPDKDOQYPAD-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000567897989 326279160 /nfs/dbraw/zinc/27/91/60/326279160.db2.gz WHOPPDKDOQYPAD-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000567897990 326279481 /nfs/dbraw/zinc/27/94/81/326279481.db2.gz WHOPPDKDOQYPAD-VHSXEESVSA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000567897991 326279374 /nfs/dbraw/zinc/27/93/74/326279374.db2.gz WHOPPDKDOQYPAD-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP C[C@@H](Cn1cccn1)[NH2+]CCOCC[NH3+] ZINC000567899564 326279901 /nfs/dbraw/zinc/27/99/01/326279901.db2.gz FTJBOXYDPBMZRE-JTQLQIEISA-N 2 0 212.297 -0.164 20 0 BBADRP C[C@H](Cn1cccn1)[NH2+]CCOCC[NH3+] ZINC000567899565 326279814 /nfs/dbraw/zinc/27/98/14/326279814.db2.gz FTJBOXYDPBMZRE-SNVBAGLBSA-N 2 0 212.297 -0.164 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCCC[NH2+]C2CC2)C1 ZINC000567900763 326280144 /nfs/dbraw/zinc/28/01/44/326280144.db2.gz NVYAJGDXOUGIIY-DTORHVGOSA-N 2 0 211.309 -0.018 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567901929 326280118 /nfs/dbraw/zinc/28/01/18/326280118.db2.gz ZAUOKWISLFXRQK-KKZNHRDASA-N 2 0 211.309 -0.162 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567901930 326280071 /nfs/dbraw/zinc/28/00/71/326280071.db2.gz ZAUOKWISLFXRQK-YWVKMMECSA-N 2 0 211.309 -0.162 20 0 BBADRP CC[NH+]1CCN(CC(=O)N(C)CC[NH3+])CC1 ZINC000567902143 326280242 /nfs/dbraw/zinc/28/02/42/326280242.db2.gz DQRZCHHRJBSGPG-UHFFFAOYSA-N 2 0 228.340 -0.959 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000567907145 326280918 /nfs/dbraw/zinc/28/09/18/326280918.db2.gz DVIVTJVAXXJQCI-BBBLOLIVSA-N 2 0 229.324 -0.454 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000567907146 326280993 /nfs/dbraw/zinc/28/09/93/326280993.db2.gz DVIVTJVAXXJQCI-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000567909638 326281410 /nfs/dbraw/zinc/28/14/10/326281410.db2.gz KQUTUPSKHNYDAX-MRVPVSSYSA-N 2 0 236.275 -0.788 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000567909639 326280808 /nfs/dbraw/zinc/28/08/08/326280808.db2.gz KQUTUPSKHNYDAX-QMMMGPOBSA-N 2 0 236.275 -0.788 20 0 BBADRP C[NH2+]CC(=O)N(CCOC)CC[NH+](C)C ZINC000567910667 326281892 /nfs/dbraw/zinc/28/18/92/326281892.db2.gz BMGYQIFRYDDRNT-UHFFFAOYSA-N 2 0 217.313 -0.758 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000567912073 326282383 /nfs/dbraw/zinc/28/23/83/326282383.db2.gz FTTZKYZPXLJDDM-FYLLDIAZSA-N 2 0 243.351 -0.147 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000567912076 326282435 /nfs/dbraw/zinc/28/24/35/326282435.db2.gz FTTZKYZPXLJDDM-MIZYBKAJSA-N 2 0 243.351 -0.147 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000567912077 326282390 /nfs/dbraw/zinc/28/23/90/326282390.db2.gz FTTZKYZPXLJDDM-MWGHHZFTSA-N 2 0 243.351 -0.147 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000567912078 326282316 /nfs/dbraw/zinc/28/23/16/326282316.db2.gz FTTZKYZPXLJDDM-QFOLPQNPSA-N 2 0 243.351 -0.147 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000567913247 326282429 /nfs/dbraw/zinc/28/24/29/326282429.db2.gz AQOFDNRLZVCEJR-GXSJLCMTSA-N 2 0 239.319 -0.815 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC000567914472 326282300 /nfs/dbraw/zinc/28/23/00/326282300.db2.gz VOXPDDAXYCTIJZ-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP CC1(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[NH2+]CC1 ZINC000567915866 326282966 /nfs/dbraw/zinc/28/29/66/326282966.db2.gz ZYPKLKIZWZDMNQ-ZJUUUORDSA-N 2 0 241.335 -0.249 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000567925350 326280385 /nfs/dbraw/zinc/28/03/85/326280385.db2.gz JTNKJTLTQONSMH-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000567925351 326280619 /nfs/dbraw/zinc/28/06/19/326280619.db2.gz JTNKJTLTQONSMH-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567925432 326284164 /nfs/dbraw/zinc/28/41/64/326284164.db2.gz LSEYHRJMLUCTLX-BIIVOSGPSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567925433 326284186 /nfs/dbraw/zinc/28/41/86/326284186.db2.gz LSEYHRJMLUCTLX-BWZBUEFSSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567925434 326284066 /nfs/dbraw/zinc/28/40/66/326284066.db2.gz LSEYHRJMLUCTLX-GJMOJQLCSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567925435 326284233 /nfs/dbraw/zinc/28/42/33/326284233.db2.gz LSEYHRJMLUCTLX-XLPZGREQSA-N 2 0 203.286 -0.798 20 0 BBADRP C[C@H]1CN(CCNC(=O)CCC[NH3+])CCO1 ZINC000567966680 326289344 /nfs/dbraw/zinc/28/93/44/326289344.db2.gz YWQOVSQHUKVPTA-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP C[C@@H]1CN(CCNC(=O)CCC[NH3+])CCO1 ZINC000567966681 326289182 /nfs/dbraw/zinc/28/91/82/326289182.db2.gz YWQOVSQHUKVPTA-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CC[NH+]1CCN(CCC(=O)N(C)CC[NH3+])CC1 ZINC000567982131 326290864 /nfs/dbraw/zinc/29/08/64/326290864.db2.gz NWVBHWFJMYVYFL-UHFFFAOYSA-N 2 0 242.367 -0.569 20 0 BBADRP COCC1(CNC(=O)[C@H]2CC[NH2+]2)CC[NH2+]CC1 ZINC000568077414 326305213 /nfs/dbraw/zinc/30/52/13/326305213.db2.gz REOZFOIRAKYVQG-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000568085517 326306081 /nfs/dbraw/zinc/30/60/81/326306081.db2.gz IWXQHLVRDLNMQP-CIUDSAMLSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000568085518 326306225 /nfs/dbraw/zinc/30/62/25/326306225.db2.gz IWXQHLVRDLNMQP-HLTSFMKQSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000568085519 326306261 /nfs/dbraw/zinc/30/62/61/326306261.db2.gz IWXQHLVRDLNMQP-VGMNWLOBSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@H]([NH3+])C1 ZINC000568085520 326306070 /nfs/dbraw/zinc/30/60/70/326306070.db2.gz IWXQHLVRDLNMQP-YIZRAAEISA-N 2 0 214.313 -0.145 20 0 BBADRP C[NH2+]CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000568085558 326306105 /nfs/dbraw/zinc/30/61/05/326306105.db2.gz LSVCLXFRAZNYGB-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP C[NH2+]CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000568085559 326306059 /nfs/dbraw/zinc/30/60/59/326306059.db2.gz LSVCLXFRAZNYGB-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCOC1C[NH2+]C1 ZINC000568162235 326316646 /nfs/dbraw/zinc/31/66/46/326316646.db2.gz RTHKHPLIBDVTNP-NXEZZACHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCOC1C[NH2+]C1 ZINC000568162236 326316674 /nfs/dbraw/zinc/31/66/74/326316674.db2.gz RTHKHPLIBDVTNP-UWVGGRQHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCOC1C[NH2+]C1 ZINC000568162237 326316462 /nfs/dbraw/zinc/31/64/62/326316462.db2.gz RTHKHPLIBDVTNP-VHSXEESVSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCOC1C[NH2+]C1 ZINC000568162238 326316563 /nfs/dbraw/zinc/31/65/63/326316563.db2.gz RTHKHPLIBDVTNP-ZJUUUORDSA-N 2 0 241.335 -0.297 20 0 BBADRP CC(C)[NH2+][C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000568163212 326317174 /nfs/dbraw/zinc/31/71/74/326317174.db2.gz RGVCKHGKYBIVOY-SECBINFHSA-N 2 0 227.308 -0.327 20 0 BBADRP CC(C)[NH2+][C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000568163213 326317020 /nfs/dbraw/zinc/31/70/20/326317020.db2.gz RGVCKHGKYBIVOY-VIFPVBQESA-N 2 0 227.308 -0.327 20 0 BBADRP O=C(CC[NH2+]C1CC1)N[C@H]1CCC[NH2+]C1 ZINC000568231363 326330638 /nfs/dbraw/zinc/33/06/38/326330638.db2.gz SIIBXEGPKHINNN-JTQLQIEISA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000568236920 326331777 /nfs/dbraw/zinc/33/17/77/326331777.db2.gz YSAKHTSJGUQSAG-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000568263376 326337006 /nfs/dbraw/zinc/33/70/06/326337006.db2.gz RHLVCCGYQBWREB-QMMMGPOBSA-N 2 0 245.323 -0.619 20 0 BBADRP COCC1(C(=O)NCC[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000568265898 326337638 /nfs/dbraw/zinc/33/76/38/326337638.db2.gz UGHFGGKLBQYQSI-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP CC(C)([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000568266733 326337614 /nfs/dbraw/zinc/33/76/14/326337614.db2.gz JEEFPAZKHHLZHN-RXMQYKEDSA-N 2 0 209.240 -0.178 20 0 BBADRP CC(C)([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000568266734 326337586 /nfs/dbraw/zinc/33/75/86/326337586.db2.gz JEEFPAZKHHLZHN-YFKPBYRVSA-N 2 0 209.240 -0.178 20 0 BBADRP C[C@@]1(CNC[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000568268755 326337660 /nfs/dbraw/zinc/33/76/60/326337660.db2.gz IKZYQTGXUROHAW-GHMZBOCLSA-N 2 0 213.325 -0.436 20 0 BBADRP C[C@]1(CNC[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000568268756 326337558 /nfs/dbraw/zinc/33/75/58/326337558.db2.gz IKZYQTGXUROHAW-MNOVXSKESA-N 2 0 213.325 -0.436 20 0 BBADRP C[C@]1(CNC[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000568268757 326337669 /nfs/dbraw/zinc/33/76/69/326337669.db2.gz IKZYQTGXUROHAW-QWRGUYRKSA-N 2 0 213.325 -0.436 20 0 BBADRP C[C@@]1(CNC[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000568268758 326337655 /nfs/dbraw/zinc/33/76/55/326337655.db2.gz IKZYQTGXUROHAW-WDEREUQCSA-N 2 0 213.325 -0.436 20 0 BBADRP CNC(=O)CCC[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000568280308 326340386 /nfs/dbraw/zinc/34/03/86/326340386.db2.gz VHQYMTVQQFJHTR-LLVKDONJSA-N 2 0 231.340 -0.585 20 0 BBADRP CNC(=O)CCC[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000568280309 326340366 /nfs/dbraw/zinc/34/03/66/326340366.db2.gz VHQYMTVQQFJHTR-NSHDSACASA-N 2 0 231.340 -0.585 20 0 BBADRP CC[NH2+]CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000568287858 326341533 /nfs/dbraw/zinc/34/15/33/326341533.db2.gz MVVPOUZPFNZCCG-VIFPVBQESA-N 2 0 214.313 -0.353 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000568288153 326341750 /nfs/dbraw/zinc/34/17/50/326341750.db2.gz VWBASFRJQOXPDN-SFYZADRCSA-N 2 0 200.286 -0.758 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000568288154 326341675 /nfs/dbraw/zinc/34/16/75/326341675.db2.gz VWBASFRJQOXPDN-YUMQZZPRSA-N 2 0 200.286 -0.758 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568291014 326341989 /nfs/dbraw/zinc/34/19/89/326341989.db2.gz XZPGYYPGKPEKJJ-DTWKUNHWSA-N 2 0 212.297 -0.648 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000568291015 326342191 /nfs/dbraw/zinc/34/21/91/326342191.db2.gz XZPGYYPGKPEKJJ-IUCAKERBSA-N 2 0 212.297 -0.648 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000568296842 326343048 /nfs/dbraw/zinc/34/30/48/326343048.db2.gz WYZSKWHBYCPQEU-AEJSXWLSSA-N 2 0 224.308 -0.791 20 0 BBADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000568394985 326353887 /nfs/dbraw/zinc/35/38/87/326353887.db2.gz IVCGKXDIWKGYBU-LLVKDONJSA-N 3 0 242.367 -0.617 20 0 BBADRP C[NH2+]CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000568394986 326353964 /nfs/dbraw/zinc/35/39/64/326353964.db2.gz IVCGKXDIWKGYBU-NSHDSACASA-N 3 0 242.367 -0.617 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000568395868 326354104 /nfs/dbraw/zinc/35/41/04/326354104.db2.gz CHFNSHXDWOOMTJ-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N(CCOC)CC[NH+](C)C ZINC000568413856 326355911 /nfs/dbraw/zinc/35/59/11/326355911.db2.gz SUHGBSFZSUPHCT-JTQLQIEISA-N 2 0 231.340 -0.369 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N(C)CCC[NH3+] ZINC000568414758 326356368 /nfs/dbraw/zinc/35/63/68/326356368.db2.gz UNAUGJAYWJBAFH-MRVPVSSYSA-N 2 0 202.302 -0.286 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N(C)CCC[NH3+] ZINC000568414759 326356322 /nfs/dbraw/zinc/35/63/22/326356322.db2.gz UNAUGJAYWJBAFH-QMMMGPOBSA-N 2 0 202.302 -0.286 20 0 BBADRP C[NH2+]CCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000568508663 326361162 /nfs/dbraw/zinc/36/11/62/326361162.db2.gz NGQSJDWFNQDOAM-UHFFFAOYSA-N 2 0 229.324 -0.662 20 0 BBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1CC[NH2+]1 ZINC000568510557 326361462 /nfs/dbraw/zinc/36/14/62/326361462.db2.gz SHMVJHIOSDTKAB-XJPIPGLHSA-N 2 0 223.320 -0.020 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@H]([NH2+]C)C1 ZINC000568520916 326362476 /nfs/dbraw/zinc/36/24/76/326362476.db2.gz BJPKKPLPAXEHGP-NXEZZACHSA-N 2 0 201.314 -0.750 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]([NH2+]C)C1 ZINC000568520922 326362764 /nfs/dbraw/zinc/36/27/64/326362764.db2.gz BJPKKPLPAXEHGP-UWVGGRQHSA-N 2 0 201.314 -0.750 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@H]([NH2+]C)C1 ZINC000568520923 326362451 /nfs/dbraw/zinc/36/24/51/326362451.db2.gz BJPKKPLPAXEHGP-VHSXEESVSA-N 2 0 201.314 -0.750 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]([NH2+]C)C1 ZINC000568520924 326357890 /nfs/dbraw/zinc/35/78/90/326357890.db2.gz BJPKKPLPAXEHGP-ZJUUUORDSA-N 2 0 201.314 -0.750 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000568626454 326368528 /nfs/dbraw/zinc/36/85/28/326368528.db2.gz GULAKFZZCHOOCA-KKZNHRDASA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000568626458 326368476 /nfs/dbraw/zinc/36/84/76/326368476.db2.gz GULAKFZZCHOOCA-NGZCFLSTSA-N 2 0 223.320 -0.053 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000568626778 326368512 /nfs/dbraw/zinc/36/85/12/326368512.db2.gz LOBPKGFATATEKN-ZETCQYMHSA-N 2 0 205.327 -0.516 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000568626981 326368629 /nfs/dbraw/zinc/36/86/29/326368629.db2.gz SBBIVYYSHJZTCK-PSASIEDQSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COC1C[NH2+]C1 ZINC000568626987 326368634 /nfs/dbraw/zinc/36/86/34/326368634.db2.gz SBBIVYYSHJZTCK-SCZZXKLOSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000568626988 326368446 /nfs/dbraw/zinc/36/84/46/326368446.db2.gz SBBIVYYSHJZTCK-WCBMZHEXSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COC1C[NH2+]C1 ZINC000568626989 326368378 /nfs/dbraw/zinc/36/83/78/326368378.db2.gz SBBIVYYSHJZTCK-WPRPVWTQSA-N 2 0 227.308 -0.911 20 0 BBADRP COC[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000568628308 326368933 /nfs/dbraw/zinc/36/89/33/326368933.db2.gz RHHDZYHFTWWJAN-GXSJLCMTSA-N 2 0 227.308 -0.828 20 0 BBADRP COC[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000568628309 326368948 /nfs/dbraw/zinc/36/89/48/326368948.db2.gz RHHDZYHFTWWJAN-ONGXEEELSA-N 2 0 227.308 -0.828 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000568628583 326368857 /nfs/dbraw/zinc/36/88/57/326368857.db2.gz XHVLUUCIQUSXQK-AXFHLTTASA-N 2 0 243.351 -0.018 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000568628584 326368901 /nfs/dbraw/zinc/36/89/01/326368901.db2.gz XHVLUUCIQUSXQK-MXWKQRLJSA-N 2 0 243.351 -0.018 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000568628997 326368905 /nfs/dbraw/zinc/36/89/05/326368905.db2.gz SIMGNVQICQGQFH-GMTAPVOTSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000568628998 326368902 /nfs/dbraw/zinc/36/89/02/326368902.db2.gz SIMGNVQICQGQFH-MXWKQRLJSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000568628999 326368889 /nfs/dbraw/zinc/36/88/89/326368889.db2.gz SIMGNVQICQGQFH-OUAUKWLOSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000568629000 326368945 /nfs/dbraw/zinc/36/89/45/326368945.db2.gz SIMGNVQICQGQFH-VWYCJHECSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000568630183 326368882 /nfs/dbraw/zinc/36/88/82/326368882.db2.gz QVMPCJORGRDPNN-CMPLNLGQSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000568630184 326368912 /nfs/dbraw/zinc/36/89/12/326368912.db2.gz QVMPCJORGRDPNN-JQWIXIFHSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000568630185 326368865 /nfs/dbraw/zinc/36/88/65/326368865.db2.gz QVMPCJORGRDPNN-PWSUYJOCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000568630187 326368872 /nfs/dbraw/zinc/36/88/72/326368872.db2.gz QVMPCJORGRDPNN-ZYHUDNBSSA-N 2 0 241.335 -0.519 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568648671 326370856 /nfs/dbraw/zinc/37/08/56/326370856.db2.gz JDLPQAURSKCTQU-QMMMGPOBSA-N 2 0 200.286 -0.791 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000568651802 326371373 /nfs/dbraw/zinc/37/13/73/326371373.db2.gz JYVNGLUUDBPOIV-SVDPJWKOSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000568651803 326371283 /nfs/dbraw/zinc/37/12/83/326371283.db2.gz JYVNGLUUDBPOIV-UXCLJVHYSA-N 2 0 223.320 -0.290 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000568741269 326374075 /nfs/dbraw/zinc/37/40/75/326374075.db2.gz QEOBIYPABLDGLN-AATLWQCWSA-N 2 0 227.308 -0.831 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000568741275 326374105 /nfs/dbraw/zinc/37/41/05/326374105.db2.gz QEOBIYPABLDGLN-AXTSPUMRSA-N 2 0 227.308 -0.831 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000568741276 326374070 /nfs/dbraw/zinc/37/40/70/326374070.db2.gz QEOBIYPABLDGLN-UTINFBMNSA-N 2 0 227.308 -0.831 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000568741277 326374214 /nfs/dbraw/zinc/37/42/14/326374214.db2.gz QEOBIYPABLDGLN-XFWSIPNHSA-N 2 0 227.308 -0.831 20 0 BBADRP CN1CCN(CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000568750124 326374936 /nfs/dbraw/zinc/37/49/36/326374936.db2.gz WCJHZHKCUPISCU-GFCCVEGCSA-N 2 0 226.368 -0.439 20 0 BBADRP CN1CCN(CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000568750125 326374991 /nfs/dbraw/zinc/37/49/91/326374991.db2.gz WCJHZHKCUPISCU-LBPRGKRZSA-N 2 0 226.368 -0.439 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000568763494 326376238 /nfs/dbraw/zinc/37/62/38/326376238.db2.gz SFDIFMONRLUCMO-AEJSXWLSSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000568763496 326376136 /nfs/dbraw/zinc/37/61/36/326376136.db2.gz SFDIFMONRLUCMO-BBBLOLIVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000568763497 326376176 /nfs/dbraw/zinc/37/61/76/326376176.db2.gz SFDIFMONRLUCMO-GUBZILKMSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000568763498 326376060 /nfs/dbraw/zinc/37/60/60/326376060.db2.gz SFDIFMONRLUCMO-UTLUCORTSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000568765574 326376424 /nfs/dbraw/zinc/37/64/24/326376424.db2.gz NFICAMDWBIJSDW-DBIOUOCHSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000568765575 326376542 /nfs/dbraw/zinc/37/65/42/326376542.db2.gz NFICAMDWBIJSDW-GWOFURMSSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC000568765576 326376555 /nfs/dbraw/zinc/37/65/55/326376555.db2.gz NFICAMDWBIJSDW-LMLFDSFASA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC000568765577 326376358 /nfs/dbraw/zinc/37/63/58/326376358.db2.gz NFICAMDWBIJSDW-YTWAJWBKSA-N 2 0 223.320 -0.066 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568772302 326377024 /nfs/dbraw/zinc/37/70/24/326377024.db2.gz RYJJVLKGVXHKHQ-FRRDWIJNSA-N 3 0 241.379 -0.112 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568772308 326377045 /nfs/dbraw/zinc/37/70/45/326377045.db2.gz RYJJVLKGVXHKHQ-XQQFMLRXSA-N 3 0 241.379 -0.112 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC(CC[NH3+])CC1 ZINC000568776473 326377011 /nfs/dbraw/zinc/37/70/11/326377011.db2.gz KAAJRCRSSDVIMH-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCO1 ZINC000568864957 326379957 /nfs/dbraw/zinc/37/99/57/326379957.db2.gz ZPLMWNGQWCFTCD-LLVKDONJSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000568864958 326379931 /nfs/dbraw/zinc/37/99/31/326379931.db2.gz ZPLMWNGQWCFTCD-NSHDSACASA-N 2 0 241.335 -0.519 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000568870528 326380427 /nfs/dbraw/zinc/38/04/27/326380427.db2.gz FLMJKUUXILHAJM-GARJFASQSA-N 2 0 240.351 -0.866 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000568870536 326380415 /nfs/dbraw/zinc/38/04/15/326380415.db2.gz FLMJKUUXILHAJM-GMTAPVOTSA-N 2 0 240.351 -0.866 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000568870537 326380517 /nfs/dbraw/zinc/38/05/17/326380517.db2.gz FLMJKUUXILHAJM-HBNTYKKESA-N 2 0 240.351 -0.866 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000568870540 326380502 /nfs/dbraw/zinc/38/05/02/326380502.db2.gz FLMJKUUXILHAJM-OUAUKWLOSA-N 2 0 240.351 -0.866 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000568879841 326380997 /nfs/dbraw/zinc/38/09/97/326380997.db2.gz QWVFGEINDHHQEJ-VIFPVBQESA-N 2 0 229.324 -0.262 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000568880177 326380856 /nfs/dbraw/zinc/38/08/56/326380856.db2.gz WCVAUGCWRPMQBL-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000568880178 326380974 /nfs/dbraw/zinc/38/09/74/326380974.db2.gz WCVAUGCWRPMQBL-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568886676 326381390 /nfs/dbraw/zinc/38/13/90/326381390.db2.gz SBFOHRRIUXQYFR-NXEZZACHSA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568886681 326381581 /nfs/dbraw/zinc/38/15/81/326381581.db2.gz SBFOHRRIUXQYFR-UWVGGRQHSA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568886683 326381545 /nfs/dbraw/zinc/38/15/45/326381545.db2.gz SBFOHRRIUXQYFR-VHSXEESVSA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568886684 326381379 /nfs/dbraw/zinc/38/13/79/326381379.db2.gz SBFOHRRIUXQYFR-ZJUUUORDSA-N 2 0 211.309 -0.207 20 0 BBADRP CC[NH2+]CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000568982481 326384562 /nfs/dbraw/zinc/38/45/62/326384562.db2.gz BHWAVEHCFYBYTC-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP CC[NH2+]CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000568982482 326384457 /nfs/dbraw/zinc/38/44/57/326384457.db2.gz BHWAVEHCFYBYTC-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)COC1CC[NH2+]CC1 ZINC000568982918 326384416 /nfs/dbraw/zinc/38/44/16/326384416.db2.gz VOUDCDPSKGYVOR-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)COC1CC[NH2+]CC1 ZINC000568982919 326384455 /nfs/dbraw/zinc/38/44/55/326384455.db2.gz VOUDCDPSKGYVOR-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000568984259 326384791 /nfs/dbraw/zinc/38/47/91/326384791.db2.gz JEJULVHHWNWAIA-GHMZBOCLSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000568984265 326384742 /nfs/dbraw/zinc/38/47/42/326384742.db2.gz JEJULVHHWNWAIA-MNOVXSKESA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000568984266 326384768 /nfs/dbraw/zinc/38/47/68/326384768.db2.gz JEJULVHHWNWAIA-QWRGUYRKSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000568984268 326384798 /nfs/dbraw/zinc/38/47/98/326384798.db2.gz JEJULVHHWNWAIA-WDEREUQCSA-N 2 0 243.351 -0.001 20 0 BBADRP COCC[N@H+](C)CCC[NH2+]C[C@H](C)O ZINC000568991447 326385386 /nfs/dbraw/zinc/38/53/86/326385386.db2.gz NRFRNXWEOQDOFQ-JTQLQIEISA-N 2 0 204.314 -0.075 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000568999162 326385815 /nfs/dbraw/zinc/38/58/15/326385815.db2.gz SVIVMKMULOTMGB-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000569002794 326386169 /nfs/dbraw/zinc/38/61/69/326386169.db2.gz JTQBGGHMWUDBEK-JTQLQIEISA-N 3 0 215.341 -0.061 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOCC[NH3+] ZINC000569002796 326386226 /nfs/dbraw/zinc/38/62/26/326386226.db2.gz JTQBGGHMWUDBEK-SNVBAGLBSA-N 3 0 215.341 -0.061 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000569095456 326389642 /nfs/dbraw/zinc/38/96/42/326389642.db2.gz ZIBNUSYVMUVBJW-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000569095457 326389557 /nfs/dbraw/zinc/38/95/57/326389557.db2.gz ZIBNUSYVMUVBJW-DCAQKATOSA-N 2 0 241.335 -0.297 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH+]2CCC1CC2 ZINC000569101321 326389923 /nfs/dbraw/zinc/38/99/23/326389923.db2.gz IURUVSNTXJOYEL-UHFFFAOYSA-N 2 0 241.335 -0.471 20 0 BBADRP [NH3+]CCCC(=O)NCCNc1cc[nH+]cc1 ZINC000569114122 326390884 /nfs/dbraw/zinc/39/08/84/326390884.db2.gz AVUIGYAJMUNVJT-UHFFFAOYSA-N 2 0 222.292 -0.230 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)CCOC1C[NH2+]C1 ZINC000569117213 326391160 /nfs/dbraw/zinc/39/11/60/326391160.db2.gz IIJLLAKREBYELG-JTQLQIEISA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)CCOC1C[NH2+]C1 ZINC000569117219 326391557 /nfs/dbraw/zinc/39/15/57/326391557.db2.gz IIJLLAKREBYELG-SNVBAGLBSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000569121118 326391771 /nfs/dbraw/zinc/39/17/71/326391771.db2.gz CXZGOUAOUWEWSM-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000569121119 326391775 /nfs/dbraw/zinc/39/17/75/326391775.db2.gz CXZGOUAOUWEWSM-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000569121282 326391798 /nfs/dbraw/zinc/39/17/98/326391798.db2.gz CSMZTMONVXMELL-BBBLOLIVSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000569121283 326391804 /nfs/dbraw/zinc/39/18/04/326391804.db2.gz CSMZTMONVXMELL-LPEHRKFASA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000569124960 326391992 /nfs/dbraw/zinc/39/19/92/326391992.db2.gz WXFXSCLLDBHNAH-AXFHLTTASA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000569124962 326392110 /nfs/dbraw/zinc/39/21/10/326392110.db2.gz WXFXSCLLDBHNAH-DCAQKATOSA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000569124963 326392120 /nfs/dbraw/zinc/39/21/20/326392120.db2.gz WXFXSCLLDBHNAH-GARJFASQSA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000569124964 326392118 /nfs/dbraw/zinc/39/21/18/326392118.db2.gz WXFXSCLLDBHNAH-HBNTYKKESA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCC[NH2+]1 ZINC000569225900 326395925 /nfs/dbraw/zinc/39/59/25/326395925.db2.gz PQZFEICPMXTEPB-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCC[NH2+]1 ZINC000569225901 326395927 /nfs/dbraw/zinc/39/59/27/326395927.db2.gz PQZFEICPMXTEPB-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000569245821 326397563 /nfs/dbraw/zinc/39/75/63/326397563.db2.gz WZRNZTQDFXOXJL-NXEZZACHSA-N 2 0 241.335 -0.378 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000569245823 326397664 /nfs/dbraw/zinc/39/76/64/326397664.db2.gz WZRNZTQDFXOXJL-UWVGGRQHSA-N 2 0 241.335 -0.378 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000569245824 326397592 /nfs/dbraw/zinc/39/75/92/326397592.db2.gz WZRNZTQDFXOXJL-VHSXEESVSA-N 2 0 241.335 -0.378 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000569245826 326397503 /nfs/dbraw/zinc/39/75/03/326397503.db2.gz WZRNZTQDFXOXJL-ZJUUUORDSA-N 2 0 241.335 -0.378 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[C@H]1CC[NH2+]C1 ZINC000569338222 322946396 /nfs/dbraw/zinc/94/63/96/322946396.db2.gz JCVJPJHDCDRHMZ-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[C@H]1CC[NH2+]C1 ZINC000569338223 322946399 /nfs/dbraw/zinc/94/63/99/322946399.db2.gz JCVJPJHDCDRHMZ-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000569338224 385324491 /nfs/dbraw/zinc/32/44/91/385324491.db2.gz JCVJPJHDCDRHMZ-QWRGUYRKSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000569338225 322946336 /nfs/dbraw/zinc/94/63/36/322946336.db2.gz JCVJPJHDCDRHMZ-WDEREUQCSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)COC1C[NH2+]C1)C(F)F ZINC000569339073 383996878 /nfs/dbraw/zinc/99/68/78/383996878.db2.gz NCPYLLZMWFPWJN-SSDOTTSWSA-N 2 0 237.250 -0.927 20 0 BBADRP [NH3+]CC[C@H](NC(=O)COC1C[NH2+]C1)C(F)F ZINC000569339074 383997907 /nfs/dbraw/zinc/99/79/07/383997907.db2.gz NCPYLLZMWFPWJN-ZETCQYMHSA-N 2 0 237.250 -0.927 20 0 BBADRP [NH3+]CCC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000569340572 398105860 /nfs/dbraw/zinc/10/58/60/398105860.db2.gz QXNRFIWBIYARLE-LLVKDONJSA-N 2 0 240.351 -0.769 20 0 BBADRP [NH3+]CCC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000569340573 398105910 /nfs/dbraw/zinc/10/59/10/398105910.db2.gz QXNRFIWBIYARLE-NSHDSACASA-N 2 0 240.351 -0.769 20 0 BBADRP C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[NH2+]1 ZINC000569358998 322964190 /nfs/dbraw/zinc/96/41/90/322964190.db2.gz WRFGIQZUGHNTDA-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)CCOC2C[NH2+]C2)CC[NH2+]1 ZINC000569360854 383896324 /nfs/dbraw/zinc/89/63/24/383896324.db2.gz WQDPRXZJFXOGPQ-NXEZZACHSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[NH2+]1 ZINC000569360855 383895705 /nfs/dbraw/zinc/89/57/05/383895705.db2.gz WQDPRXZJFXOGPQ-UWVGGRQHSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1C[C@H](NC(=O)CCOC2C[NH2+]C2)CC[NH2+]1 ZINC000569360856 322964197 /nfs/dbraw/zinc/96/41/97/322964197.db2.gz WQDPRXZJFXOGPQ-VHSXEESVSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[NH2+]1 ZINC000569360857 383895006 /nfs/dbraw/zinc/89/50/06/383895006.db2.gz WQDPRXZJFXOGPQ-ZJUUUORDSA-N 2 0 241.335 -0.378 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000569364810 322964688 /nfs/dbraw/zinc/96/46/88/322964688.db2.gz ACEGFIJBVJTUJT-AMDVSUOASA-N 2 0 243.307 -0.785 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000569364811 322964772 /nfs/dbraw/zinc/96/47/72/322964772.db2.gz ACEGFIJBVJTUJT-HACHORDNSA-N 2 0 243.307 -0.785 20 0 BBADRP CS(=O)(=O)NCC[NH+]1CCC(CC[NH3+])CC1 ZINC000569463070 384080177 /nfs/dbraw/zinc/08/01/77/384080177.db2.gz JTBUYODXWJJVOD-UHFFFAOYSA-N 2 0 249.380 -0.404 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000569481209 384105936 /nfs/dbraw/zinc/10/59/36/384105936.db2.gz BMGGKJZXHOSQTK-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000569481210 384106015 /nfs/dbraw/zinc/10/60/15/384106015.db2.gz BMGGKJZXHOSQTK-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000569482477 384106709 /nfs/dbraw/zinc/10/67/09/384106709.db2.gz JJCGFYKZBSCRED-PSASIEDQSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000569482478 384107342 /nfs/dbraw/zinc/10/73/42/384107342.db2.gz JJCGFYKZBSCRED-SCZZXKLOSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000569482479 322967592 /nfs/dbraw/zinc/96/75/92/322967592.db2.gz JJCGFYKZBSCRED-WCBMZHEXSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000569482480 384105424 /nfs/dbraw/zinc/10/54/24/384105424.db2.gz JJCGFYKZBSCRED-WPRPVWTQSA-N 2 0 211.309 -0.005 20 0 BBADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000569482989 322967756 /nfs/dbraw/zinc/96/77/56/322967756.db2.gz DCPHQRCPUHFXRX-KLBPJQLPSA-N 2 0 221.304 -0.584 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000569484052 322967809 /nfs/dbraw/zinc/96/78/09/322967809.db2.gz ZYPBNJPLOGZTQP-NXEZZACHSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000569484055 322967801 /nfs/dbraw/zinc/96/78/01/322967801.db2.gz ZYPBNJPLOGZTQP-ZJUUUORDSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000569487244 322967948 /nfs/dbraw/zinc/96/79/48/322967948.db2.gz PGQNTJMDYJQQSH-AXTSPUMRSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000569487245 322967900 /nfs/dbraw/zinc/96/79/00/322967900.db2.gz PGQNTJMDYJQQSH-DOLQZWNJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000569487246 384112692 /nfs/dbraw/zinc/11/26/92/384112692.db2.gz PGQNTJMDYJQQSH-IMSYWVGJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000569487247 322967880 /nfs/dbraw/zinc/96/78/80/322967880.db2.gz PGQNTJMDYJQQSH-QEYWKRMJSA-N 2 0 211.309 -0.081 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C[C@@H]12 ZINC000569567635 344319352 /nfs/dbraw/zinc/31/93/52/344319352.db2.gz AANWTAULVVHJBA-CJJWORHMSA-N 2 0 235.331 -0.066 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C[C@H]12 ZINC000569567636 344319639 /nfs/dbraw/zinc/31/96/39/344319639.db2.gz AANWTAULVVHJBA-HMUNZLOLSA-N 2 0 235.331 -0.066 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C[C@@H]12 ZINC000569567637 344319721 /nfs/dbraw/zinc/31/97/21/344319721.db2.gz AANWTAULVVHJBA-KSLZLVKMSA-N 2 0 235.331 -0.066 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C[C@H]12 ZINC000569567638 344319652 /nfs/dbraw/zinc/31/96/52/344319652.db2.gz AANWTAULVVHJBA-UGCHFJIKSA-N 2 0 235.331 -0.066 20 0 BBADRP NC(=O)CC[NH2+]C[C@@H]1CCCCN1CCO ZINC000569577442 384273851 /nfs/dbraw/zinc/27/38/51/384273851.db2.gz PYQWSDMMTXHYHN-JTQLQIEISA-N 2 0 229.324 -0.702 20 0 BBADRP NC(=O)CC[NH2+]C[C@H]1CCCCN1CCO ZINC000569577443 384273964 /nfs/dbraw/zinc/27/39/64/384273964.db2.gz PYQWSDMMTXHYHN-SNVBAGLBSA-N 2 0 229.324 -0.702 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNCC(C)(C)[NH3+] ZINC000569577598 384275205 /nfs/dbraw/zinc/27/52/05/384275205.db2.gz STQBELCEMVGUHS-SECBINFHSA-N 2 0 200.330 -0.783 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNCC(C)(C)[NH3+] ZINC000569577599 384276518 /nfs/dbraw/zinc/27/65/18/384276518.db2.gz STQBELCEMVGUHS-VIFPVBQESA-N 2 0 200.330 -0.783 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[NH2+]CC1 ZINC000569583052 384286669 /nfs/dbraw/zinc/28/66/69/384286669.db2.gz HLFJOBFWMZSXJN-JTQLQIEISA-N 2 0 201.314 -0.748 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[NH2+]CC1 ZINC000569583053 322971228 /nfs/dbraw/zinc/97/12/28/322971228.db2.gz HLFJOBFWMZSXJN-SNVBAGLBSA-N 2 0 201.314 -0.748 20 0 BBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CC2)CC1 ZINC000569595767 384485600 /nfs/dbraw/zinc/48/56/00/384485600.db2.gz UZRBLYXZIKSVEU-GFCCVEGCSA-N 2 0 227.352 -0.406 20 0 BBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CC2)CC1 ZINC000569595769 322971953 /nfs/dbraw/zinc/97/19/53/322971953.db2.gz UZRBLYXZIKSVEU-LBPRGKRZSA-N 2 0 227.352 -0.406 20 0 BBADRP [NH3+]CCCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000569603742 322972489 /nfs/dbraw/zinc/97/24/89/322972489.db2.gz XAPJNXGTVOVATH-JTQLQIEISA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+]CCCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000569603746 322972494 /nfs/dbraw/zinc/97/24/94/322972494.db2.gz XAPJNXGTVOVATH-SNVBAGLBSA-N 2 0 229.324 -0.390 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000569692768 323037154 /nfs/dbraw/zinc/03/71/54/323037154.db2.gz OOSDUWUCZHLMTQ-JTQLQIEISA-N 2 0 240.351 -0.852 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000569692769 323037100 /nfs/dbraw/zinc/03/71/00/323037100.db2.gz OOSDUWUCZHLMTQ-SNVBAGLBSA-N 2 0 240.351 -0.852 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCC[NH3+] ZINC000569710426 323038201 /nfs/dbraw/zinc/03/82/01/323038201.db2.gz RJPCBBGUQCOWDT-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCC[NH3+] ZINC000569710427 323038222 /nfs/dbraw/zinc/03/82/22/323038222.db2.gz RJPCBBGUQCOWDT-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCC[NH3+] ZINC000569710428 323038183 /nfs/dbraw/zinc/03/81/83/323038183.db2.gz RJPCBBGUQCOWDT-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCC[NH3+] ZINC000569710429 323038252 /nfs/dbraw/zinc/03/82/52/323038252.db2.gz RJPCBBGUQCOWDT-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP CC1CC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000569715300 323038323 /nfs/dbraw/zinc/03/83/23/323038323.db2.gz FXQWAFOQSHGMOR-BPCQOVAHSA-N 2 0 241.379 -0.017 20 0 BBADRP CC1CC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000569715301 323038285 /nfs/dbraw/zinc/03/82/85/323038285.db2.gz FXQWAFOQSHGMOR-WXRRBKDZSA-N 2 0 241.379 -0.017 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000569721594 323038708 /nfs/dbraw/zinc/03/87/08/323038708.db2.gz ZJTKMZASSYCBQU-LLVKDONJSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000569721595 323038822 /nfs/dbraw/zinc/03/88/22/323038822.db2.gz ZJTKMZASSYCBQU-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP CC(C)([NH3+])CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000569722676 323038750 /nfs/dbraw/zinc/03/87/50/323038750.db2.gz APFXFQPLSFUQFI-JTQLQIEISA-N 3 0 242.367 -0.489 20 0 BBADRP CC(C)([NH3+])CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000569722677 323038765 /nfs/dbraw/zinc/03/87/65/323038765.db2.gz APFXFQPLSFUQFI-SNVBAGLBSA-N 3 0 242.367 -0.489 20 0 BBADRP C[NH2+][C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000569723673 323038764 /nfs/dbraw/zinc/03/87/64/323038764.db2.gz IBRAFTCQEMKULM-GFCCVEGCSA-N 2 0 226.368 -0.425 20 0 BBADRP C[NH2+][C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000569723677 323038806 /nfs/dbraw/zinc/03/88/06/323038806.db2.gz IBRAFTCQEMKULM-LBPRGKRZSA-N 2 0 226.368 -0.425 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000569803267 323041097 /nfs/dbraw/zinc/04/10/97/323041097.db2.gz KCPGUQHOQCSAKO-CHWFTXMASA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000569803268 323041128 /nfs/dbraw/zinc/04/11/28/323041128.db2.gz KCPGUQHOQCSAKO-VPOLOUISSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000569803269 323041065 /nfs/dbraw/zinc/04/10/65/323041065.db2.gz KCPGUQHOQCSAKO-XWLWVQCSSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000569803270 323041076 /nfs/dbraw/zinc/04/10/76/323041076.db2.gz KCPGUQHOQCSAKO-ZRUFSTJUSA-N 2 0 241.335 -0.441 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000569808957 323041496 /nfs/dbraw/zinc/04/14/96/323041496.db2.gz YSNIKZDZYBPONN-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000569808958 323041473 /nfs/dbraw/zinc/04/14/73/323041473.db2.gz YSNIKZDZYBPONN-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000569808959 323041399 /nfs/dbraw/zinc/04/13/99/323041399.db2.gz YSNIKZDZYBPONN-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000569808960 323041459 /nfs/dbraw/zinc/04/14/59/323041459.db2.gz YSNIKZDZYBPONN-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C[NH3+] ZINC000569809375 323041458 /nfs/dbraw/zinc/04/14/58/323041458.db2.gz HNKUWCUNPAKAQU-IVZWLZJFSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C[NH3+] ZINC000569809376 323041456 /nfs/dbraw/zinc/04/14/56/323041456.db2.gz HNKUWCUNPAKAQU-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C[NH3+] ZINC000569809377 323041432 /nfs/dbraw/zinc/04/14/32/323041432.db2.gz HNKUWCUNPAKAQU-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C[NH3+] ZINC000569809379 323041404 /nfs/dbraw/zinc/04/14/04/323041404.db2.gz HNKUWCUNPAKAQU-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000569811066 323041142 /nfs/dbraw/zinc/04/11/42/323041142.db2.gz JCURGMMJSBKLQQ-AOOOYVTPSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H](CNC(=O)N(C)CCC[NH3+])[NH+](C)C ZINC000569826537 323042084 /nfs/dbraw/zinc/04/20/84/323042084.db2.gz ZWBRMFRNVFYXTI-VIFPVBQESA-N 2 0 216.329 -0.073 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000569838146 323042198 /nfs/dbraw/zinc/04/21/98/323042198.db2.gz DYVVBWNYAVUIAI-IVZWLZJFSA-N 2 0 209.293 -0.441 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CC[NH3+])CCO ZINC000569842773 323042479 /nfs/dbraw/zinc/04/24/79/323042479.db2.gz ZESJKCCECZGASU-BDAKNGLRSA-N 2 0 232.328 -0.925 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(CC[NH3+])CCO ZINC000569842774 323042530 /nfs/dbraw/zinc/04/25/30/323042530.db2.gz ZESJKCCECZGASU-DTWKUNHWSA-N 2 0 232.328 -0.925 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(CC[NH3+])CCO ZINC000569842775 323042485 /nfs/dbraw/zinc/04/24/85/323042485.db2.gz ZESJKCCECZGASU-IUCAKERBSA-N 2 0 232.328 -0.925 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CC[NH3+])CCO ZINC000569842776 323042587 /nfs/dbraw/zinc/04/25/87/323042587.db2.gz ZESJKCCECZGASU-RKDXNWHRSA-N 2 0 232.328 -0.925 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569843816 323042605 /nfs/dbraw/zinc/04/26/05/323042605.db2.gz UBLOKWDDJBFCET-DBIOUOCHSA-N 2 0 223.320 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569843817 323042670 /nfs/dbraw/zinc/04/26/70/323042670.db2.gz UBLOKWDDJBFCET-VLEAKVRGSA-N 2 0 223.320 -0.195 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569843818 323042633 /nfs/dbraw/zinc/04/26/33/323042633.db2.gz UBLOKWDDJBFCET-ZDCRXTMVSA-N 2 0 223.320 -0.195 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569843819 323042680 /nfs/dbraw/zinc/04/26/80/323042680.db2.gz UBLOKWDDJBFCET-ZNSHCXBVSA-N 2 0 223.320 -0.195 20 0 BBADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)NC1=O ZINC000569864112 323043033 /nfs/dbraw/zinc/04/30/33/323043033.db2.gz SXTQFHZDJBXILK-JTQLQIEISA-N 2 0 239.319 -0.325 20 0 BBADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)NC1=O ZINC000569864114 323042943 /nfs/dbraw/zinc/04/29/43/323042943.db2.gz SXTQFHZDJBXILK-SNVBAGLBSA-N 2 0 239.319 -0.325 20 0 BBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000569971276 323046150 /nfs/dbraw/zinc/04/61/50/323046150.db2.gz ORCKMHDXFLBDRU-MNOVXSKESA-N 2 0 243.351 -0.323 20 0 BBADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000569971277 323046145 /nfs/dbraw/zinc/04/61/45/323046145.db2.gz ORCKMHDXFLBDRU-QWRGUYRKSA-N 2 0 243.351 -0.323 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000569974350 323046193 /nfs/dbraw/zinc/04/61/93/323046193.db2.gz HOPXLNLCCUCNFE-NGZCFLSTSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000569974351 323046097 /nfs/dbraw/zinc/04/60/97/323046097.db2.gz HOPXLNLCCUCNFE-WCABBAIRSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000569989566 323046756 /nfs/dbraw/zinc/04/67/56/323046756.db2.gz HUKPDQHQDNCZDQ-BDAKNGLRSA-N 2 0 212.297 -0.648 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000570037050 323047894 /nfs/dbraw/zinc/04/78/94/323047894.db2.gz GYIFORDJLDXMQW-KKZNHRDASA-N 2 0 209.293 -0.441 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000570037051 323047943 /nfs/dbraw/zinc/04/79/43/323047943.db2.gz GYIFORDJLDXMQW-YWVKMMECSA-N 2 0 209.293 -0.441 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C1CCCC1 ZINC000570037804 323047917 /nfs/dbraw/zinc/04/79/17/323047917.db2.gz YNWQINIANSGWGT-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]1CC[NH2+]1)C1CCCC1 ZINC000570037805 323047925 /nfs/dbraw/zinc/04/79/25/323047925.db2.gz YNWQINIANSGWGT-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000570041024 323048031 /nfs/dbraw/zinc/04/80/31/323048031.db2.gz FXUBJRRSXZBZBF-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000570041025 323048018 /nfs/dbraw/zinc/04/80/18/323048018.db2.gz FXUBJRRSXZBZBF-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)C1CC([NH3+])C1 ZINC000570041651 323048123 /nfs/dbraw/zinc/04/81/23/323048123.db2.gz CVRAIOFMMXRDOU-AMDVSUOASA-N 2 0 215.297 -0.702 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)C1CC([NH3+])C1 ZINC000570041652 323048117 /nfs/dbraw/zinc/04/81/17/323048117.db2.gz CVRAIOFMMXRDOU-HACHORDNSA-N 2 0 215.297 -0.702 20 0 BBADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000570042410 323048268 /nfs/dbraw/zinc/04/82/68/323048268.db2.gz TXAJRIYJRMTKKX-SECBINFHSA-N 2 0 227.308 -0.767 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@H]2C1 ZINC000570043348 323048339 /nfs/dbraw/zinc/04/83/39/323048339.db2.gz VMMGUXQTEVHYEW-AXFHLTTASA-N 2 0 223.320 -0.099 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@@H]2C1 ZINC000570043349 323048242 /nfs/dbraw/zinc/04/82/42/323048242.db2.gz VMMGUXQTEVHYEW-GMTAPVOTSA-N 2 0 223.320 -0.099 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@@H]2C1 ZINC000570043350 323048280 /nfs/dbraw/zinc/04/82/80/323048280.db2.gz VMMGUXQTEVHYEW-HBNTYKKESA-N 2 0 223.320 -0.099 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]3)[C@H]2C1 ZINC000570043351 323048328 /nfs/dbraw/zinc/04/83/28/323048328.db2.gz VMMGUXQTEVHYEW-MXWKQRLJSA-N 2 0 223.320 -0.099 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000570079634 323049171 /nfs/dbraw/zinc/04/91/71/323049171.db2.gz LZJREPSRJSEYKW-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000570079635 323049152 /nfs/dbraw/zinc/04/91/52/323049152.db2.gz LZJREPSRJSEYKW-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000570160478 323051320 /nfs/dbraw/zinc/05/13/20/323051320.db2.gz FWTXMYOZPLAWDF-AXFHLTTASA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000570160479 323051382 /nfs/dbraw/zinc/05/13/82/323051382.db2.gz FWTXMYOZPLAWDF-MXWKQRLJSA-N 2 0 241.335 -0.426 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000570160747 323051330 /nfs/dbraw/zinc/05/13/30/323051330.db2.gz JRCIFBFBGKPQMZ-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000570160749 323051316 /nfs/dbraw/zinc/05/13/16/323051316.db2.gz JRCIFBFBGKPQMZ-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000570163768 323051974 /nfs/dbraw/zinc/05/19/74/323051974.db2.gz BOQUXVRWTICCEG-KKZNHRDASA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000570163769 323051888 /nfs/dbraw/zinc/05/18/88/323051888.db2.gz BOQUXVRWTICCEG-NGZCFLSTSA-N 2 0 211.309 -0.018 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)CCC[NH3+] ZINC000570212726 323052611 /nfs/dbraw/zinc/05/26/11/323052611.db2.gz WDAIJPWACDHZHA-SECBINFHSA-N 2 0 217.313 -0.534 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)CCC[NH3+] ZINC000570212729 323052622 /nfs/dbraw/zinc/05/26/22/323052622.db2.gz WDAIJPWACDHZHA-VIFPVBQESA-N 2 0 217.313 -0.534 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCCC[NH2+]1 ZINC000570265029 323054305 /nfs/dbraw/zinc/05/43/05/323054305.db2.gz GKQTZFPQFUJKAD-YTWAJWBKSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCCC[NH2+]1 ZINC000570265030 323054303 /nfs/dbraw/zinc/05/43/03/323054303.db2.gz GKQTZFPQFUJKAD-ZRUFSTJUSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000570278545 323054894 /nfs/dbraw/zinc/05/48/94/323054894.db2.gz DAYLOUBUOBXLTG-GHMZBOCLSA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000570278552 323054878 /nfs/dbraw/zinc/05/48/78/323054878.db2.gz DAYLOUBUOBXLTG-MNOVXSKESA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000570278553 323054871 /nfs/dbraw/zinc/05/48/71/323054871.db2.gz DAYLOUBUOBXLTG-QWRGUYRKSA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000570278554 323054903 /nfs/dbraw/zinc/05/49/03/323054903.db2.gz DAYLOUBUOBXLTG-WDEREUQCSA-N 2 0 240.351 -0.994 20 0 BBADRP CC(C)(C[NH3+])NC(=O)COC1CC[NH2+]CC1 ZINC000570279581 323054927 /nfs/dbraw/zinc/05/49/27/323054927.db2.gz IUTGDJNPVNZWAS-UHFFFAOYSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)[C@@](C)(CN)[NH2+]CCN1CC[NH2+]CC1 ZINC000570280887 323054920 /nfs/dbraw/zinc/05/49/20/323054920.db2.gz NFVKHIFPCVPKPM-GFCCVEGCSA-N 2 0 228.384 -0.145 20 0 BBADRP CC(C)[C@](C)(CN)[NH2+]CCN1CC[NH2+]CC1 ZINC000570280889 323054984 /nfs/dbraw/zinc/05/49/84/323054984.db2.gz NFVKHIFPCVPKPM-LBPRGKRZSA-N 2 0 228.384 -0.145 20 0 BBADRP OCC(CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000570292629 323055546 /nfs/dbraw/zinc/05/55/46/323055546.db2.gz UCXNXZXUFOLBNX-UHFFFAOYSA-N 2 0 216.325 -0.195 20 0 BBADRP CN1CCN(C(=O)C[NH2+]CC2CC2)[C@H](C[NH3+])C1 ZINC000570306325 323055929 /nfs/dbraw/zinc/05/59/29/323055929.db2.gz NUSDSZUBTGOPJM-LLVKDONJSA-N 2 0 240.351 -0.913 20 0 BBADRP CN1CCN(C(=O)C[NH2+]CC2CC2)[C@@H](C[NH3+])C1 ZINC000570306326 323056000 /nfs/dbraw/zinc/05/60/00/323056000.db2.gz NUSDSZUBTGOPJM-NSHDSACASA-N 2 0 240.351 -0.913 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000570331107 323056236 /nfs/dbraw/zinc/05/62/36/323056236.db2.gz XAXMYUMAAOLECY-NXEZZACHSA-N 2 0 229.324 -0.310 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000570331110 323056216 /nfs/dbraw/zinc/05/62/16/323056216.db2.gz XAXMYUMAAOLECY-ZJUUUORDSA-N 2 0 229.324 -0.310 20 0 BBADRP FC(F)[C@@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000570333110 323056202 /nfs/dbraw/zinc/05/62/02/323056202.db2.gz PLUWYYDNKKOAQG-JTQLQIEISA-N 2 0 248.321 -0.570 20 0 BBADRP FC(F)[C@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000570333111 323056197 /nfs/dbraw/zinc/05/61/97/323056197.db2.gz PLUWYYDNKKOAQG-SNVBAGLBSA-N 2 0 248.321 -0.570 20 0 BBADRP C[C@H]1C(=O)NCCC[N@H+]1CCOCC[NH3+] ZINC000570333132 323056136 /nfs/dbraw/zinc/05/61/36/323056136.db2.gz QTBLSKJMYLFHCZ-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH2+]CC1CC[NH+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000570338423 323056868 /nfs/dbraw/zinc/05/68/68/323056868.db2.gz ZZENYMTZFWEBBB-GFCCVEGCSA-N 2 0 229.368 -0.112 20 0 BBADRP C[NH2+]CC1CC[NH+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000570338424 323056927 /nfs/dbraw/zinc/05/69/27/323056927.db2.gz ZZENYMTZFWEBBB-LBPRGKRZSA-N 2 0 229.368 -0.112 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000570395278 323057998 /nfs/dbraw/zinc/05/79/98/323057998.db2.gz IRSDUYQXHDOIPF-NXEZZACHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000570395282 323057973 /nfs/dbraw/zinc/05/79/73/323057973.db2.gz IRSDUYQXHDOIPF-VHSXEESVSA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@H](C[NH3+])NC(=O)COC1CCC([NH3+])CC1 ZINC000570396389 323058397 /nfs/dbraw/zinc/05/83/97/323058397.db2.gz NHGPWFHASCQUIM-XNWIYYODSA-N 2 0 229.324 -0.264 20 0 BBADRP [NH3+]C1(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000570399016 323058470 /nfs/dbraw/zinc/05/84/70/323058470.db2.gz MXQQMVSINCVEQF-VHSXEESVSA-N 2 0 223.320 -0.018 20 0 BBADRP CN(C(=O)N[C@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000570410092 323058747 /nfs/dbraw/zinc/05/87/47/323058747.db2.gz DKEKNCZYMLKLDN-MGURRDGZSA-N 2 0 212.297 -0.521 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000570443637 323059578 /nfs/dbraw/zinc/05/95/78/323059578.db2.gz JXMPJGDTSDKYCP-NXEZZACHSA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000570443638 323059653 /nfs/dbraw/zinc/05/96/53/323059653.db2.gz JXMPJGDTSDKYCP-UWVGGRQHSA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000570443639 323059644 /nfs/dbraw/zinc/05/96/44/323059644.db2.gz JXMPJGDTSDKYCP-VHSXEESVSA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000570443640 323059624 /nfs/dbraw/zinc/05/96/24/323059624.db2.gz JXMPJGDTSDKYCP-ZJUUUORDSA-N 2 0 229.324 -0.534 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000570443680 323059611 /nfs/dbraw/zinc/05/96/11/323059611.db2.gz NZLOHDZABWAHHV-GXSJLCMTSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000570449586 323059727 /nfs/dbraw/zinc/05/97/27/323059727.db2.gz MSWXOMPMOLNOJG-MXWKQRLJSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000570449587 323059689 /nfs/dbraw/zinc/05/96/89/323059689.db2.gz MSWXOMPMOLNOJG-VWYCJHECSA-N 2 0 239.319 -0.815 20 0 BBADRP C[C@@H](CN1CCOCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570451081 323059893 /nfs/dbraw/zinc/05/98/93/323059893.db2.gz BQCYTWCDIPVVGC-RWMBFGLXSA-N 2 0 239.363 -0.142 20 0 BBADRP C[C@H](CN1CCOCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570451082 323059900 /nfs/dbraw/zinc/05/99/00/323059900.db2.gz BQCYTWCDIPVVGC-UPJWGTAASA-N 2 0 239.363 -0.142 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000570452318 323059471 /nfs/dbraw/zinc/05/94/71/323059471.db2.gz ONBIMENNUHOFNX-BBBLOLIVSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000570452319 323059454 /nfs/dbraw/zinc/05/94/54/323059454.db2.gz ONBIMENNUHOFNX-UTLUCORTSA-N 2 0 229.324 -0.536 20 0 BBADRP CCCN(CC(=O)NC)C[C@H](O)C[N@H+](C)CC ZINC000570469394 323060588 /nfs/dbraw/zinc/06/05/88/323060588.db2.gz APWLEJZUZMWHSY-LLVKDONJSA-N 2 0 245.367 -0.243 20 0 BBADRP CCCN(CC(=O)NC)C[C@@H](O)C[N@H+](C)CC ZINC000570469395 323060634 /nfs/dbraw/zinc/06/06/34/323060634.db2.gz APWLEJZUZMWHSY-NSHDSACASA-N 2 0 245.367 -0.243 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000570515490 323061519 /nfs/dbraw/zinc/06/15/19/323061519.db2.gz XMCOBDLZGUXBBF-JGVFFNPUSA-N 2 0 215.297 -0.783 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000570515494 323061482 /nfs/dbraw/zinc/06/14/82/323061482.db2.gz XMCOBDLZGUXBBF-YUMQZZPRSA-N 2 0 215.297 -0.783 20 0 BBADRP CCC[C@@H]1CN(C(=O)C[NH3+])CCN1CCOC ZINC000570519856 323062273 /nfs/dbraw/zinc/06/22/73/323062273.db2.gz NKHODEPZDJWLTM-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP CCC[C@H]1CN(C(=O)C[NH3+])CCN1CCOC ZINC000570519857 323062267 /nfs/dbraw/zinc/06/22/67/323062267.db2.gz NKHODEPZDJWLTM-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP [NH3+]CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000570521095 323061935 /nfs/dbraw/zinc/06/19/35/323061935.db2.gz CWSRGZDQJHDRDJ-UHFFFAOYSA-N 2 0 214.313 -0.285 20 0 BBADRP CN(CCC[NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000570528519 323062486 /nfs/dbraw/zinc/06/24/86/323062486.db2.gz BIRPYFFDWQPOAU-JTQLQIEISA-N 2 0 244.339 -0.645 20 0 BBADRP CN(CCC[NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000570528520 323062403 /nfs/dbraw/zinc/06/24/03/323062403.db2.gz BIRPYFFDWQPOAU-SNVBAGLBSA-N 2 0 244.339 -0.645 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000570568680 323063383 /nfs/dbraw/zinc/06/33/83/323063383.db2.gz BVJLTIBAGUDGAO-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000570568681 323063378 /nfs/dbraw/zinc/06/33/78/323063378.db2.gz BVJLTIBAGUDGAO-ZJUUUORDSA-N 2 0 229.324 -0.521 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570568886 323063456 /nfs/dbraw/zinc/06/34/56/323063456.db2.gz TUYVMSJTRCYBHF-AEJSXWLSSA-N 2 0 243.376 -0.255 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000570569951 323063438 /nfs/dbraw/zinc/06/34/38/323063438.db2.gz HTAASPVAMONVSC-BBBLOLIVSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000570569954 323063440 /nfs/dbraw/zinc/06/34/40/323063440.db2.gz HTAASPVAMONVSC-LPEHRKFASA-N 2 0 211.309 -0.161 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NCC[NH2+]CCOC ZINC000570570104 323063500 /nfs/dbraw/zinc/06/35/00/323063500.db2.gz OSAZXZFYPGYRFO-JTQLQIEISA-N 2 0 231.340 -0.273 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NCC[NH2+]CCOC ZINC000570570109 323063408 /nfs/dbraw/zinc/06/34/08/323063408.db2.gz OSAZXZFYPGYRFO-SNVBAGLBSA-N 2 0 231.340 -0.273 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)c1csc(CC[NH3+])n1 ZINC000570571224 323063518 /nfs/dbraw/zinc/06/35/18/323063518.db2.gz CGJIZJFNPQAVKQ-SSDOTTSWSA-N 2 0 242.348 -0.031 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)c1csc(CC[NH3+])n1 ZINC000570571227 323063602 /nfs/dbraw/zinc/06/36/02/323063602.db2.gz CGJIZJFNPQAVKQ-ZETCQYMHSA-N 2 0 242.348 -0.031 20 0 BBADRP CC1(C)CN(C(=O)C[NH2+]C2CC2)CC[NH2+]1 ZINC000570617908 323064560 /nfs/dbraw/zinc/06/45/60/323064560.db2.gz BCIPBXBHFCDCBR-UHFFFAOYSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+](C)CCOCCNC(=O)CC1(C[NH3+])CC1 ZINC000570630275 323065223 /nfs/dbraw/zinc/06/52/23/323065223.db2.gz UKRIKUORPXJAAV-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000570630786 323065343 /nfs/dbraw/zinc/06/53/43/323065343.db2.gz TURSMAMEVWXKAX-MNOVXSKESA-N 2 0 243.351 -0.003 20 0 BBADRP O=C(CCOC1C[NH2+]C1)N1CCC[NH2+]CC1 ZINC000570630842 323065314 /nfs/dbraw/zinc/06/53/14/323065314.db2.gz XCZTVKFUGCIZSX-UHFFFAOYSA-N 2 0 227.308 -0.813 20 0 BBADRP C[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000570652754 323065981 /nfs/dbraw/zinc/06/59/81/323065981.db2.gz VKLLRQHKSNCOQP-AEJSXWLSSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000570652766 323066062 /nfs/dbraw/zinc/06/60/62/323066062.db2.gz VKLLRQHKSNCOQP-BBBLOLIVSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000570652767 323065987 /nfs/dbraw/zinc/06/59/87/323065987.db2.gz VKLLRQHKSNCOQP-GUBZILKMSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000570652768 323065998 /nfs/dbraw/zinc/06/59/98/323065998.db2.gz VKLLRQHKSNCOQP-UTLUCORTSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000570675149 323066756 /nfs/dbraw/zinc/06/67/56/323066756.db2.gz RCCUHPCDUVIHAI-NXEZZACHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000570675150 323066802 /nfs/dbraw/zinc/06/68/02/323066802.db2.gz RCCUHPCDUVIHAI-UWVGGRQHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000570675151 323066779 /nfs/dbraw/zinc/06/67/79/323066779.db2.gz RCCUHPCDUVIHAI-VHSXEESVSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000570675152 323066731 /nfs/dbraw/zinc/06/67/31/323066731.db2.gz RCCUHPCDUVIHAI-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000570681359 323066848 /nfs/dbraw/zinc/06/68/48/323066848.db2.gz QKQLELTXERNWEM-NXEZZACHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000570681360 323066741 /nfs/dbraw/zinc/06/67/41/323066741.db2.gz QKQLELTXERNWEM-UWVGGRQHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000570681361 323066797 /nfs/dbraw/zinc/06/67/97/323066797.db2.gz QKQLELTXERNWEM-VHSXEESVSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000570681362 323066850 /nfs/dbraw/zinc/06/68/50/323066850.db2.gz QKQLELTXERNWEM-ZJUUUORDSA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570681898 323066907 /nfs/dbraw/zinc/06/69/07/323066907.db2.gz JFGMHKJWVIDGQO-KGDYZURWSA-N 2 0 209.293 -0.682 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570681903 323066950 /nfs/dbraw/zinc/06/69/50/323066950.db2.gz JFGMHKJWVIDGQO-VFCFLDTKSA-N 2 0 209.293 -0.682 20 0 BBADRP [NH3+]C1(c2noc(CCOC3C[NH2+]C3)n2)CCC1 ZINC000570682046 323066899 /nfs/dbraw/zinc/06/68/99/323066899.db2.gz OYIYRVSMDLUVLL-UHFFFAOYSA-N 2 0 238.291 -0.062 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[NH2+]1 ZINC000570683802 323067123 /nfs/dbraw/zinc/06/71/23/323067123.db2.gz CUYGOXFRNHHLGT-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[NH2+]1 ZINC000570683805 323067027 /nfs/dbraw/zinc/06/70/27/323067027.db2.gz CUYGOXFRNHHLGT-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000570698295 323067798 /nfs/dbraw/zinc/06/77/98/323067798.db2.gz MPCJKZRYNULOEZ-GXSJLCMTSA-N 2 0 226.324 -0.271 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000570698296 323067770 /nfs/dbraw/zinc/06/77/70/323067770.db2.gz MPCJKZRYNULOEZ-ONGXEEELSA-N 2 0 226.324 -0.271 20 0 BBADRP CC(C)([NH3+])CN1CCCO[C@H](C[NH3+])C1 ZINC000570719091 323068608 /nfs/dbraw/zinc/06/86/08/323068608.db2.gz JMYCDKHPEPWUQR-SECBINFHSA-N 2 0 201.314 -0.227 20 0 BBADRP CC(C)([NH3+])CN1CCCO[C@@H](C[NH3+])C1 ZINC000570719092 323068573 /nfs/dbraw/zinc/06/85/73/323068573.db2.gz JMYCDKHPEPWUQR-VIFPVBQESA-N 2 0 201.314 -0.227 20 0 BBADRP O=C(NCCC[NH2+]C1CC1)N[C@H]1CC[NH2+]C1 ZINC000570740371 323069254 /nfs/dbraw/zinc/06/92/54/323069254.db2.gz LFLWBXOBJNITJC-JTQLQIEISA-N 2 0 226.324 -0.210 20 0 BBADRP CC(C)([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000570840100 323072329 /nfs/dbraw/zinc/07/23/29/323072329.db2.gz VSLGULGHMVBRDX-UHFFFAOYSA-N 2 0 222.292 -0.231 20 0 BBADRP C[NH2+]CCN(C)C(=O)COC1CCC([NH3+])CC1 ZINC000570841594 323072317 /nfs/dbraw/zinc/07/23/17/323072317.db2.gz IOBZWDGQUYZKRH-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000570842499 323072246 /nfs/dbraw/zinc/07/22/46/323072246.db2.gz YAFHGNMVKZZFMI-RNFRBKRXSA-N 2 0 221.251 -0.163 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000570842504 323072264 /nfs/dbraw/zinc/07/22/64/323072264.db2.gz YAFHGNMVKZZFMI-RQJHMYQMSA-N 2 0 221.251 -0.163 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000570842505 323072176 /nfs/dbraw/zinc/07/21/76/323072176.db2.gz YEVAFWCSWHNXJB-FXPVBKGRSA-N 2 0 229.324 -0.597 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000570842510 323072215 /nfs/dbraw/zinc/07/22/15/323072215.db2.gz YEVAFWCSWHNXJB-WCABBAIRSA-N 2 0 229.324 -0.597 20 0 BBADRP O=C(CC1CC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570842538 323072139 /nfs/dbraw/zinc/07/21/39/323072139.db2.gz YLHFSYVSUBTIHW-IAZYJMLFSA-N 2 0 223.320 -0.290 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000570919940 323074325 /nfs/dbraw/zinc/07/43/25/323074325.db2.gz RIIISVZKYAGNTE-IVZWLZJFSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000570919941 323074273 /nfs/dbraw/zinc/07/42/73/323074273.db2.gz RIIISVZKYAGNTE-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000570919942 323074283 /nfs/dbraw/zinc/07/42/83/323074283.db2.gz RIIISVZKYAGNTE-LPEHRKFASA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000570919943 323074210 /nfs/dbraw/zinc/07/42/10/323074210.db2.gz RIIISVZKYAGNTE-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](C(=O)NC1CC[NH2+]CC1)C1CCC1 ZINC000570925142 323074587 /nfs/dbraw/zinc/07/45/87/323074587.db2.gz GTKALCHETOMPGJ-JTQLQIEISA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](C(=O)NC1CC[NH2+]CC1)C1CCC1 ZINC000570925143 323074623 /nfs/dbraw/zinc/07/46/23/323074623.db2.gz GTKALCHETOMPGJ-SNVBAGLBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000570925186 323074616 /nfs/dbraw/zinc/07/46/16/323074616.db2.gz JURVIZDSKGQIAT-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000570925187 323074691 /nfs/dbraw/zinc/07/46/91/323074691.db2.gz JURVIZDSKGQIAT-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000570925188 323074646 /nfs/dbraw/zinc/07/46/46/323074646.db2.gz JURVIZDSKGQIAT-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000570925189 323074634 /nfs/dbraw/zinc/07/46/34/323074634.db2.gz JURVIZDSKGQIAT-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000570930120 323074834 /nfs/dbraw/zinc/07/48/34/323074834.db2.gz PWKZJWVTVFRJNI-FOGDFJRCSA-N 2 0 223.320 -0.194 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000570930121 323074919 /nfs/dbraw/zinc/07/49/19/323074919.db2.gz PWKZJWVTVFRJNI-UMNHJUIQSA-N 2 0 223.320 -0.194 20 0 BBADRP Nc1cc[nH+]cc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570962763 323101856 /nfs/dbraw/zinc/10/18/56/323101856.db2.gz ITZQXHVIFKDJKH-DTORHVGOSA-N 2 0 232.287 -0.214 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000570962902 323101826 /nfs/dbraw/zinc/10/18/26/323101826.db2.gz MDKKTQJEFCANDM-SSDOTTSWSA-N 2 0 239.266 -0.679 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000570962909 323101824 /nfs/dbraw/zinc/10/18/24/323101824.db2.gz MDKKTQJEFCANDM-ZETCQYMHSA-N 2 0 239.266 -0.679 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[NH2+]CCOC ZINC000570963428 350667945 /nfs/dbraw/zinc/66/79/45/350667945.db2.gz YRHDQJFVUBUMER-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[NH2+]CCOC ZINC000570963429 350668033 /nfs/dbraw/zinc/66/80/33/350668033.db2.gz YRHDQJFVUBUMER-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000570964333 350667895 /nfs/dbraw/zinc/66/78/95/350667895.db2.gz NRZVMJFKQZFQLO-QMMMGPOBSA-N 2 0 245.323 -0.680 20 0 BBADRP COC1(C(=O)NC[C@H](C)C[NH3+])CC[NH2+]CC1 ZINC000570967831 323102268 /nfs/dbraw/zinc/10/22/68/323102268.db2.gz TVMIOURKNITOLL-SECBINFHSA-N 2 0 229.324 -0.534 20 0 BBADRP COC1(C(=O)NC[C@@H](C)C[NH3+])CC[NH2+]CC1 ZINC000570967832 323102239 /nfs/dbraw/zinc/10/22/39/323102239.db2.gz TVMIOURKNITOLL-VIFPVBQESA-N 2 0 229.324 -0.534 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000571044124 323105076 /nfs/dbraw/zinc/10/50/76/323105076.db2.gz YVFZLERNPOMOPR-BDAKNGLRSA-N 2 0 245.323 -0.667 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000571044125 323105050 /nfs/dbraw/zinc/10/50/50/323105050.db2.gz YVFZLERNPOMOPR-IUCAKERBSA-N 2 0 245.323 -0.667 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000571044705 323105106 /nfs/dbraw/zinc/10/51/06/323105106.db2.gz DTFTYHQTSPQBKR-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000571044706 323105117 /nfs/dbraw/zinc/10/51/17/323105117.db2.gz DTFTYHQTSPQBKR-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)CCOC(C)C ZINC000571047378 323105314 /nfs/dbraw/zinc/10/53/14/323105314.db2.gz SNFAHBDUYYBDHS-GHMZBOCLSA-N 2 0 234.340 -0.668 20 0 BBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CCOC(C)C ZINC000571047379 323105296 /nfs/dbraw/zinc/10/52/96/323105296.db2.gz SNFAHBDUYYBDHS-MNOVXSKESA-N 2 0 234.340 -0.668 20 0 BBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)CCOC(C)C ZINC000571047380 323105381 /nfs/dbraw/zinc/10/53/81/323105381.db2.gz SNFAHBDUYYBDHS-QWRGUYRKSA-N 2 0 234.340 -0.668 20 0 BBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)CCOC(C)C ZINC000571047382 323105327 /nfs/dbraw/zinc/10/53/27/323105327.db2.gz SNFAHBDUYYBDHS-WDEREUQCSA-N 2 0 234.340 -0.668 20 0 BBADRP O=C(C[NH2+]C1CC1)NCCNc1cc[nH+]cc1 ZINC000571078242 323134843 /nfs/dbraw/zinc/13/48/43/323134843.db2.gz JTIXDBVHAYSKBF-UHFFFAOYSA-N 2 0 234.303 -0.216 20 0 BBADRP CC(C)(C)[NH2+]CCNC(=O)COC1C[NH2+]C1 ZINC000571081481 323135071 /nfs/dbraw/zinc/13/50/71/323135071.db2.gz CKIHTCUIRMAXLU-UHFFFAOYSA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000571082190 323135029 /nfs/dbraw/zinc/13/50/29/323135029.db2.gz XQTHCNPHHCOZAY-SCZZXKLOSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000571082192 323134971 /nfs/dbraw/zinc/13/49/71/323134971.db2.gz XQTHCNPHHCOZAY-WPRPVWTQSA-N 2 0 211.309 -0.005 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571083061 323135122 /nfs/dbraw/zinc/13/51/22/323135122.db2.gz ZVRFUSUNEXFCNS-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571083062 323135099 /nfs/dbraw/zinc/13/50/99/323135099.db2.gz ZVRFUSUNEXFCNS-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571083063 323135192 /nfs/dbraw/zinc/13/51/92/323135192.db2.gz ZVRFUSUNEXFCNS-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571083064 323135246 /nfs/dbraw/zinc/13/52/46/323135246.db2.gz ZVRFUSUNEXFCNS-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP OCCC[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000571106117 323135689 /nfs/dbraw/zinc/13/56/89/323135689.db2.gz XPICJXJLZWLUDS-LLVKDONJSA-N 2 0 240.351 -0.228 20 0 BBADRP OCCC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCCN1 ZINC000571106118 323135571 /nfs/dbraw/zinc/13/55/71/323135571.db2.gz XPICJXJLZWLUDS-NSHDSACASA-N 2 0 240.351 -0.228 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000571162598 323137077 /nfs/dbraw/zinc/13/70/77/323137077.db2.gz HBZGSFUYYOEPRA-VIFPVBQESA-N 2 0 245.323 -0.619 20 0 BBADRP O=C(COC1C[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000571162888 323137064 /nfs/dbraw/zinc/13/70/64/323137064.db2.gz LRXDFBYLMQHYDF-UHFFFAOYSA-N 2 0 225.292 -0.989 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000571162931 323137061 /nfs/dbraw/zinc/13/70/61/323137061.db2.gz OJYNRDUNJJOMOB-DCAQKATOSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000571162934 323137080 /nfs/dbraw/zinc/13/70/80/323137080.db2.gz OJYNRDUNJJOMOB-GARJFASQSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000571162936 323137079 /nfs/dbraw/zinc/13/70/79/323137079.db2.gz OJYNRDUNJJOMOB-OUAUKWLOSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000571162937 323137070 /nfs/dbraw/zinc/13/70/70/323137070.db2.gz OJYNRDUNJJOMOB-VWYCJHECSA-N 2 0 243.351 -0.016 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000571196020 323137872 /nfs/dbraw/zinc/13/78/72/323137872.db2.gz BUZABQJOUYQWQW-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000571196027 323137987 /nfs/dbraw/zinc/13/79/87/323137987.db2.gz BUZABQJOUYQWQW-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000571206629 323138213 /nfs/dbraw/zinc/13/82/13/323138213.db2.gz DHJGJFJKLIVHSC-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000571206630 323138209 /nfs/dbraw/zinc/13/82/09/323138209.db2.gz DHJGJFJKLIVHSC-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[NH2+]C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000571217438 323138351 /nfs/dbraw/zinc/13/83/51/323138351.db2.gz GEXYVZOKNJPZLA-UHFFFAOYSA-N 2 0 241.335 -0.567 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000571276755 323139777 /nfs/dbraw/zinc/13/97/77/323139777.db2.gz QEEGBNWKWBUMEH-PWSUYJOCSA-N 2 0 223.320 -0.146 20 0 BBADRP C[NH2+]CC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000571282408 323140071 /nfs/dbraw/zinc/14/00/71/323140071.db2.gz DVLKPMQZXXZWRL-UHFFFAOYSA-N 2 0 229.324 -0.662 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000571299848 323140806 /nfs/dbraw/zinc/14/08/06/323140806.db2.gz JMVDKKLFTULMIL-GXSJLCMTSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000571299849 323140869 /nfs/dbraw/zinc/14/08/69/323140869.db2.gz JMVDKKLFTULMIL-ONGXEEELSA-N 2 0 238.335 -0.116 20 0 BBADRP [NH3+]CCN(CCO)CC[C@@H]1CC[NH2+]C1 ZINC000571325275 323141468 /nfs/dbraw/zinc/14/14/68/323141468.db2.gz CNAHTNDUDMEVQN-JTQLQIEISA-N 2 0 201.314 -0.761 20 0 BBADRP [NH3+]CCN(CCO)CC[C@H]1CC[NH2+]C1 ZINC000571325282 323141421 /nfs/dbraw/zinc/14/14/21/323141421.db2.gz CNAHTNDUDMEVQN-SNVBAGLBSA-N 2 0 201.314 -0.761 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1CCC(=O)N1CC[NH2+]CC1 ZINC000571325305 323141480 /nfs/dbraw/zinc/14/14/80/323141480.db2.gz DULNRZKJOJLALV-QWRGUYRKSA-N 2 0 240.351 -0.770 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000571325551 323141383 /nfs/dbraw/zinc/14/13/83/323141383.db2.gz TWTHTCQQCDDQRH-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000571325553 323141475 /nfs/dbraw/zinc/14/14/75/323141475.db2.gz TWTHTCQQCDDQRH-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000571325555 323141405 /nfs/dbraw/zinc/14/14/05/323141405.db2.gz TWTHTCQQCDDQRH-VHSXEESVSA-N 2 0 229.324 -0.582 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000571325557 323141459 /nfs/dbraw/zinc/14/14/59/323141459.db2.gz TWTHTCQQCDDQRH-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000571402530 350974835 /nfs/dbraw/zinc/97/48/35/350974835.db2.gz XPOHCBSLHRPRSD-PSASIEDQSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000571402534 350974809 /nfs/dbraw/zinc/97/48/09/350974809.db2.gz XPOHCBSLHRPRSD-SCZZXKLOSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000571402535 350974854 /nfs/dbraw/zinc/97/48/54/350974854.db2.gz XPOHCBSLHRPRSD-WCBMZHEXSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000571402536 350974891 /nfs/dbraw/zinc/97/48/91/350974891.db2.gz XPOHCBSLHRPRSD-WPRPVWTQSA-N 2 0 211.309 -0.053 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000571402658 350975638 /nfs/dbraw/zinc/97/56/38/350975638.db2.gz WAWPRUZLWOHALH-GHMZBOCLSA-N 2 0 243.351 -0.062 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000571402659 350975353 /nfs/dbraw/zinc/97/53/53/350975353.db2.gz WAWPRUZLWOHALH-MNOVXSKESA-N 2 0 243.351 -0.062 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000571402660 350975229 /nfs/dbraw/zinc/97/52/29/350975229.db2.gz WAWPRUZLWOHALH-QWRGUYRKSA-N 2 0 243.351 -0.062 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000571402661 350975499 /nfs/dbraw/zinc/97/54/99/350975499.db2.gz WAWPRUZLWOHALH-WDEREUQCSA-N 2 0 243.351 -0.062 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000571432067 323144583 /nfs/dbraw/zinc/14/45/83/323144583.db2.gz CGZXDALUCIDUIX-PWSUYJOCSA-N 2 0 221.304 -0.226 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000571452986 323145165 /nfs/dbraw/zinc/14/51/65/323145165.db2.gz MQMCKYCFRFGYLE-GUBZILKMSA-N 2 0 201.314 -0.622 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000571452988 323145299 /nfs/dbraw/zinc/14/52/99/323145299.db2.gz MQMCKYCFRFGYLE-LPEHRKFASA-N 2 0 201.314 -0.622 20 0 BBADRP CN(CCC[NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000571463631 323145500 /nfs/dbraw/zinc/14/55/00/323145500.db2.gz FGZCZRGMHPFWSJ-UHFFFAOYSA-N 2 0 228.340 -0.024 20 0 BBADRP CC[NH2+]CCNC(=O)COC1CC[NH2+]CC1 ZINC000571520525 323146885 /nfs/dbraw/zinc/14/68/85/323146885.db2.gz FKAGOAZVEMTRLK-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP COC(=O)CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000571522068 323146765 /nfs/dbraw/zinc/14/67/65/323146765.db2.gz VZWBWWPZDFVQDP-PWSUYJOCSA-N 2 0 242.319 -0.012 20 0 BBADRP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)[C@H](C)[NH3+] ZINC000571522389 323146714 /nfs/dbraw/zinc/14/67/14/323146714.db2.gz LHPRBJUNVLOWGM-AEJSXWLSSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000571522391 323146740 /nfs/dbraw/zinc/14/67/40/323146740.db2.gz LHPRBJUNVLOWGM-GUBZILKMSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)[C@H](C)[NH3+] ZINC000571522392 323146724 /nfs/dbraw/zinc/14/67/24/323146724.db2.gz LHPRBJUNVLOWGM-IVZWLZJFSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000571522394 323146698 /nfs/dbraw/zinc/14/66/98/323146698.db2.gz LHPRBJUNVLOWGM-LPEHRKFASA-N 2 0 229.324 -0.393 20 0 BBADRP O=C(COC1C[NH2+]C1)NCCC[NH2+]C1CC1 ZINC000571523393 323147407 /nfs/dbraw/zinc/14/74/07/323147407.db2.gz LECWCAJFQGRDGH-UHFFFAOYSA-N 2 0 227.308 -0.767 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C(F)F ZINC000571567332 323148694 /nfs/dbraw/zinc/14/86/94/323148694.db2.gz ZWTBGJMCFCCBFX-DSYKOEDSSA-N 2 0 221.251 -0.178 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C(F)F ZINC000571567333 323148761 /nfs/dbraw/zinc/14/87/61/323148761.db2.gz ZWTBGJMCFCCBFX-XVMARJQXSA-N 2 0 221.251 -0.178 20 0 BBADRP COCC[NH2+]C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000571574914 323148204 /nfs/dbraw/zinc/14/82/04/323148204.db2.gz HHFOIOPEIBGWCB-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000571637992 323150335 /nfs/dbraw/zinc/15/03/35/323150335.db2.gz BKWBFIGHQRHKLT-JTQLQIEISA-N 2 0 222.292 -0.231 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC000571640762 323150519 /nfs/dbraw/zinc/15/05/19/323150519.db2.gz QRWHQCJJWKLKNP-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000571640766 323150466 /nfs/dbraw/zinc/15/04/66/323150466.db2.gz QRWHQCJJWKLKNP-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000571640767 323150522 /nfs/dbraw/zinc/15/05/22/323150522.db2.gz QRWHQCJJWKLKNP-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC000571640769 323150516 /nfs/dbraw/zinc/15/05/16/323150516.db2.gz QRWHQCJJWKLKNP-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000571642862 351321512 /nfs/dbraw/zinc/32/15/12/351321512.db2.gz KATZYAKOYTUNJZ-BDAKNGLRSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000571642864 351321500 /nfs/dbraw/zinc/32/15/00/351321500.db2.gz KATZYAKOYTUNJZ-DTWKUNHWSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000571642868 351320331 /nfs/dbraw/zinc/32/03/31/351320331.db2.gz KATZYAKOYTUNJZ-IUCAKERBSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000571642870 351320953 /nfs/dbraw/zinc/32/09/53/351320953.db2.gz KATZYAKOYTUNJZ-RKDXNWHRSA-N 2 0 229.324 -0.393 20 0 BBADRP CNC(=O)CC[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000571648320 351384469 /nfs/dbraw/zinc/38/44/69/351384469.db2.gz MMVSNMWROQRNJK-JTQLQIEISA-N 2 0 217.313 -0.975 20 0 BBADRP CNC(=O)CC[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000571648321 351384418 /nfs/dbraw/zinc/38/44/18/351384418.db2.gz MMVSNMWROQRNJK-SNVBAGLBSA-N 2 0 217.313 -0.975 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000571658543 323162794 /nfs/dbraw/zinc/16/27/94/323162794.db2.gz LRWFWBUHFGGWTL-BDAKNGLRSA-N 2 0 214.313 -0.355 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000571683243 323346554 /nfs/dbraw/zinc/34/65/54/323346554.db2.gz HKMXWZVYQJNWHA-GXSJLCMTSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000571683244 323346676 /nfs/dbraw/zinc/34/66/76/323346676.db2.gz HKMXWZVYQJNWHA-KOLCDFICSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000571683245 323346594 /nfs/dbraw/zinc/34/65/94/323346594.db2.gz HKMXWZVYQJNWHA-MWLCHTKSSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000571683246 323346549 /nfs/dbraw/zinc/34/65/49/323346549.db2.gz HKMXWZVYQJNWHA-ONGXEEELSA-N 2 0 229.324 -0.406 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000571683396 323346795 /nfs/dbraw/zinc/34/67/95/323346795.db2.gz NRVNULKDLJXGBO-WDEREUQCSA-N 2 0 241.335 -0.567 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN(CC(N)=O)C(C)C ZINC000571723443 387153202 /nfs/dbraw/zinc/15/32/02/387153202.db2.gz OUWOBAYZCUYNQD-JTQLQIEISA-N 2 0 231.340 -0.505 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN(CC(N)=O)C(C)C ZINC000571723444 387152942 /nfs/dbraw/zinc/15/29/42/387152942.db2.gz OUWOBAYZCUYNQD-SNVBAGLBSA-N 2 0 231.340 -0.505 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000571760357 387163724 /nfs/dbraw/zinc/16/37/24/387163724.db2.gz WVDJSWBUJNQWMO-GXSJLCMTSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000571760358 323473416 /nfs/dbraw/zinc/47/34/16/323473416.db2.gz WVDJSWBUJNQWMO-KOLCDFICSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000571760359 387162745 /nfs/dbraw/zinc/16/27/45/387162745.db2.gz WVDJSWBUJNQWMO-MWLCHTKSSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000571760360 323473437 /nfs/dbraw/zinc/47/34/37/323473437.db2.gz WVDJSWBUJNQWMO-ONGXEEELSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[NH2+]C2CC2)CCCO1 ZINC000571761368 387163463 /nfs/dbraw/zinc/16/34/63/387163463.db2.gz HXVWTTXYODYQHN-JTQLQIEISA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[NH2+]C2CC2)CCCO1 ZINC000571761369 387163032 /nfs/dbraw/zinc/16/30/32/387163032.db2.gz HXVWTTXYODYQHN-SNVBAGLBSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CCCN1CCN1CC[NH2+]CC1 ZINC000571762704 387163123 /nfs/dbraw/zinc/16/31/23/387163123.db2.gz FKBUXABVRSEQQC-LLVKDONJSA-N 2 0 212.341 -0.685 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000571778618 323479907 /nfs/dbraw/zinc/47/99/07/323479907.db2.gz ORHCBBCUPFKQRI-BDAKNGLRSA-N 2 0 212.297 -0.519 20 0 BBADRP COC[C@@]1(C(=O)NC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000571796434 323481822 /nfs/dbraw/zinc/48/18/22/323481822.db2.gz JYXPDHGKHYUANW-GFCCVEGCSA-N 2 0 241.335 -0.519 20 0 BBADRP COC[C@]1(C(=O)NC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000571796437 323482166 /nfs/dbraw/zinc/48/21/66/323482166.db2.gz JYXPDHGKHYUANW-LBPRGKRZSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000571802384 387174580 /nfs/dbraw/zinc/17/45/80/387174580.db2.gz NWMJXWWGYBUYLM-CHWSQXEVSA-N 3 0 240.395 -0.192 20 0 BBADRP C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000571802397 387174036 /nfs/dbraw/zinc/17/40/36/387174036.db2.gz NWMJXWWGYBUYLM-OLZOCXBDSA-N 3 0 240.395 -0.192 20 0 BBADRP C[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000571802399 387174611 /nfs/dbraw/zinc/17/46/11/387174611.db2.gz NWMJXWWGYBUYLM-QWHCGFSZSA-N 3 0 240.395 -0.192 20 0 BBADRP C[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000571802400 387174563 /nfs/dbraw/zinc/17/45/63/387174563.db2.gz NWMJXWWGYBUYLM-STQMWFEESA-N 3 0 240.395 -0.192 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000571878237 387189618 /nfs/dbraw/zinc/18/96/18/387189618.db2.gz SHDBTNYRYZFFCG-JTQLQIEISA-N 2 0 236.319 -0.113 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000571878240 387189824 /nfs/dbraw/zinc/18/98/24/387189824.db2.gz SHDBTNYRYZFFCG-SNVBAGLBSA-N 2 0 236.319 -0.113 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000571880183 323496726 /nfs/dbraw/zinc/49/67/26/323496726.db2.gz XQTHCNPHHCOZAY-PSASIEDQSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000571880184 323496821 /nfs/dbraw/zinc/49/68/21/323496821.db2.gz XQTHCNPHHCOZAY-WCBMZHEXSA-N 2 0 211.309 -0.005 20 0 BBADRP CC(C)[NH2+]CCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000571880505 323496889 /nfs/dbraw/zinc/49/68/89/323496889.db2.gz JRNYBQGASUKDOG-LLVKDONJSA-N 2 0 242.367 -0.606 20 0 BBADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000571880513 323496707 /nfs/dbraw/zinc/49/67/07/323496707.db2.gz JRNYBQGASUKDOG-NSHDSACASA-N 2 0 242.367 -0.606 20 0 BBADRP CN(CCOCC[NH3+])C1(C[NH3+])CCC1 ZINC000571882543 387191380 /nfs/dbraw/zinc/19/13/80/387191380.db2.gz DZBVOXCICXHLDJ-UHFFFAOYSA-N 2 0 201.314 -0.225 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000571909288 387189236 /nfs/dbraw/zinc/18/92/36/387189236.db2.gz UCFRVRTVVSULNB-SECBINFHSA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000571909289 323495860 /nfs/dbraw/zinc/49/58/60/323495860.db2.gz UCFRVRTVVSULNB-VIFPVBQESA-N 2 0 229.324 -0.534 20 0 BBADRP COCC1(CNC(=O)[C@@H](C)C[NH3+])CC[NH2+]CC1 ZINC000571909338 387188928 /nfs/dbraw/zinc/18/89/28/387188928.db2.gz YKNKMXIKHCKFNO-JTQLQIEISA-N 2 0 243.351 -0.286 20 0 BBADRP COCC1(CNC(=O)[C@H](C)C[NH3+])CC[NH2+]CC1 ZINC000571909339 387189734 /nfs/dbraw/zinc/18/97/34/387189734.db2.gz YKNKMXIKHCKFNO-SNVBAGLBSA-N 2 0 243.351 -0.286 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000571919385 398128073 /nfs/dbraw/zinc/12/80/73/398128073.db2.gz ZELGDFYLSOACCW-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000571919389 398127773 /nfs/dbraw/zinc/12/77/73/398127773.db2.gz ZELGDFYLSOACCW-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000571926247 387199751 /nfs/dbraw/zinc/19/97/51/387199751.db2.gz MSVCGLSUHIALJP-PHIMTYICSA-N 2 0 243.351 -0.192 20 0 BBADRP CC1(C(=O)N[C@@H](CC[NH3+])C(F)F)C[NH2+]C1 ZINC000571999721 323520268 /nfs/dbraw/zinc/52/02/68/323520268.db2.gz HHZFOHYFWNPRPE-LURJTMIESA-N 2 0 221.251 -0.305 20 0 BBADRP CC1(C(=O)N[C@H](CC[NH3+])C(F)F)C[NH2+]C1 ZINC000571999728 387217052 /nfs/dbraw/zinc/21/70/52/387217052.db2.gz HHZFOHYFWNPRPE-ZCFIWIBFSA-N 2 0 221.251 -0.305 20 0 BBADRP CC(C)[NH2+]CCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000571999761 323520146 /nfs/dbraw/zinc/52/01/46/323520146.db2.gz INZBGVRUUPGUHD-LLVKDONJSA-N 2 0 243.351 -0.131 20 0 BBADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000571999762 387217191 /nfs/dbraw/zinc/21/71/91/387217191.db2.gz INZBGVRUUPGUHD-NSHDSACASA-N 2 0 243.351 -0.131 20 0 BBADRP CN(CC(=O)N1CC[NH2+]CC1)CC1(C[NH3+])CC1 ZINC000572000588 387216707 /nfs/dbraw/zinc/21/67/07/387216707.db2.gz JPRAMEVQPVGERQ-UHFFFAOYSA-N 2 0 240.351 -0.911 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000572003473 387218901 /nfs/dbraw/zinc/21/89/01/387218901.db2.gz UMRSXRCYEINEPM-GHMZBOCLSA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000572003474 323521915 /nfs/dbraw/zinc/52/19/15/323521915.db2.gz UMRSXRCYEINEPM-WDEREUQCSA-N 2 0 240.351 -0.852 20 0 BBADRP COC[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000572035818 323527915 /nfs/dbraw/zinc/52/79/15/323527915.db2.gz RNGIHMDKEABYOJ-CMPLNLGQSA-N 2 0 241.335 -0.519 20 0 BBADRP COC[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000572035826 387223201 /nfs/dbraw/zinc/22/32/01/387223201.db2.gz RNGIHMDKEABYOJ-JQWIXIFHSA-N 2 0 241.335 -0.519 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572036608 323528333 /nfs/dbraw/zinc/52/83/33/323528333.db2.gz XKJPTBYFNKFXIB-NXEZZACHSA-N 2 0 228.340 -0.866 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572036609 387223854 /nfs/dbraw/zinc/22/38/54/387223854.db2.gz XKJPTBYFNKFXIB-UWVGGRQHSA-N 2 0 228.340 -0.866 20 0 BBADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572036610 387224309 /nfs/dbraw/zinc/22/43/09/387224309.db2.gz XKJPTBYFNKFXIB-VHSXEESVSA-N 2 0 228.340 -0.866 20 0 BBADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572036611 387223256 /nfs/dbraw/zinc/22/32/56/387223256.db2.gz XKJPTBYFNKFXIB-ZJUUUORDSA-N 2 0 228.340 -0.866 20 0 BBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000572043798 387221188 /nfs/dbraw/zinc/22/11/88/387221188.db2.gz QZSAQJHLTSFZLO-AEJSXWLSSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000572043803 387219630 /nfs/dbraw/zinc/21/96/30/387219630.db2.gz QZSAQJHLTSFZLO-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[NH2+]CCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000572103874 323539026 /nfs/dbraw/zinc/53/90/26/323539026.db2.gz HSRGSBXIONMZPY-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](C)O ZINC000572114174 387238608 /nfs/dbraw/zinc/23/86/08/387238608.db2.gz GNYKZBFQHWYFIM-MNOVXSKESA-N 2 0 215.341 -0.407 20 0 BBADRP C[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000572114175 323540864 /nfs/dbraw/zinc/54/08/64/323540864.db2.gz GNYKZBFQHWYFIM-QWRGUYRKSA-N 2 0 215.341 -0.407 20 0 BBADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CC[NH2+]CC1 ZINC000572121668 387239663 /nfs/dbraw/zinc/23/96/63/387239663.db2.gz ICKGLARRTWNCAF-FUNVUKJBSA-N 2 0 239.363 -0.121 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000572149184 323547627 /nfs/dbraw/zinc/54/76/27/323547627.db2.gz ZCPOVKCRGXYIIF-PWSUYJOCSA-N 2 0 243.351 -0.273 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000572149185 387242682 /nfs/dbraw/zinc/24/26/82/387242682.db2.gz ZCPOVKCRGXYIIF-ZYHUDNBSSA-N 2 0 243.351 -0.273 20 0 BBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])C[C@H]2[NH3+])cn1 ZINC000572234963 387283045 /nfs/dbraw/zinc/28/30/45/387283045.db2.gz LUCXQPYQUILINF-VPOLOUISSA-N 2 0 249.318 -0.980 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000572235654 387283581 /nfs/dbraw/zinc/28/35/81/387283581.db2.gz DSABXJPLVJECAO-VHSXEESVSA-N 2 0 241.335 -0.426 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000572240978 387284938 /nfs/dbraw/zinc/28/49/38/387284938.db2.gz BVZIDJDCNXQFQU-JTQLQIEISA-N 2 0 229.324 -0.662 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000572240979 387285802 /nfs/dbraw/zinc/28/58/02/387285802.db2.gz BVZIDJDCNXQFQU-SNVBAGLBSA-N 2 0 229.324 -0.662 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000572241885 387286231 /nfs/dbraw/zinc/28/62/31/387286231.db2.gz MIJBNXGPKQCURZ-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000572241886 387285615 /nfs/dbraw/zinc/28/56/15/387285615.db2.gz MIJBNXGPKQCURZ-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN(C)CCn1cccn1 ZINC000572249533 387279391 /nfs/dbraw/zinc/27/93/91/387279391.db2.gz OSLHQLVUIGNCLW-LLVKDONJSA-N 2 0 226.324 -0.215 20 0 BBADRP C[NH2+]C[C@](C)(O)CN(C)CCn1cccn1 ZINC000572249534 387278551 /nfs/dbraw/zinc/27/85/51/387278551.db2.gz OSLHQLVUIGNCLW-NSHDSACASA-N 2 0 226.324 -0.215 20 0 BBADRP CC1(NC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000572258660 323581447 /nfs/dbraw/zinc/58/14/47/323581447.db2.gz TWMBUQDHCSJVLO-VIFPVBQESA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000572273614 387297694 /nfs/dbraw/zinc/29/76/94/387297694.db2.gz NYLXIIAZFIFZDH-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000572273615 323583892 /nfs/dbraw/zinc/58/38/92/323583892.db2.gz NYLXIIAZFIFZDH-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)COC1CC[NH2+]CC1 ZINC000572283216 387305787 /nfs/dbraw/zinc/30/57/87/387305787.db2.gz CYLRNGNWBOTOQD-LLVKDONJSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)COC1CC[NH2+]CC1 ZINC000572283221 323586623 /nfs/dbraw/zinc/58/66/23/323586623.db2.gz CYLRNGNWBOTOQD-NSHDSACASA-N 2 0 243.351 -0.146 20 0 BBADRP C[C@@H](NC(=O)COC1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000572283305 323587100 /nfs/dbraw/zinc/58/71/00/323587100.db2.gz HDNRZWYJADFLTP-NXEZZACHSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H](NC(=O)COC1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000572283306 323586747 /nfs/dbraw/zinc/58/67/47/323586747.db2.gz HDNRZWYJADFLTP-UWVGGRQHSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H](NC(=O)COC1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000572283307 387306439 /nfs/dbraw/zinc/30/64/39/387306439.db2.gz HDNRZWYJADFLTP-VHSXEESVSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H](NC(=O)COC1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000572283308 323586846 /nfs/dbraw/zinc/58/68/46/323586846.db2.gz HDNRZWYJADFLTP-ZJUUUORDSA-N 2 0 241.335 -0.521 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000572283931 387305406 /nfs/dbraw/zinc/30/54/06/387305406.db2.gz INLWSJXMRRCWNY-NXEZZACHSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000572283932 387305642 /nfs/dbraw/zinc/30/56/42/387305642.db2.gz INLWSJXMRRCWNY-UWVGGRQHSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000572283933 387306569 /nfs/dbraw/zinc/30/65/69/387306569.db2.gz INLWSJXMRRCWNY-VHSXEESVSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000572283934 323586697 /nfs/dbraw/zinc/58/66/97/323586697.db2.gz INLWSJXMRRCWNY-ZJUUUORDSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]CC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000572286787 387308310 /nfs/dbraw/zinc/30/83/10/387308310.db2.gz AFPQKCUWACTZBR-CYBMUJFWSA-N 3 0 240.395 -0.048 20 0 BBADRP [NH3+]CC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000572286788 387307527 /nfs/dbraw/zinc/30/75/27/387307527.db2.gz AFPQKCUWACTZBR-ZDUSSCGKSA-N 3 0 240.395 -0.048 20 0 BBADRP C[C@H]1CN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000572290190 387319402 /nfs/dbraw/zinc/31/94/02/387319402.db2.gz JFMHJJPAEDUPLC-AEJSXWLSSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]1CN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 ZINC000572290191 387318355 /nfs/dbraw/zinc/31/83/55/387318355.db2.gz JFMHJJPAEDUPLC-BBBLOLIVSA-N 2 0 227.308 -0.830 20 0 BBADRP COCC[NH2+]CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000572361889 323608122 /nfs/dbraw/zinc/60/81/22/323608122.db2.gz HPJVYWNUGVISHH-JTQLQIEISA-N 2 0 229.324 -0.662 20 0 BBADRP COCC[NH2+]CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000572361890 387345742 /nfs/dbraw/zinc/34/57/42/387345742.db2.gz HPJVYWNUGVISHH-SNVBAGLBSA-N 2 0 229.324 -0.662 20 0 BBADRP COCC[NH2+]CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000572362386 387347383 /nfs/dbraw/zinc/34/73/83/387347383.db2.gz IPPKJAJPPKWWBX-LLVKDONJSA-N 2 0 243.351 -0.129 20 0 BBADRP COCC[NH2+]CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000572362387 323609853 /nfs/dbraw/zinc/60/98/53/323609853.db2.gz IPPKJAJPPKWWBX-NSHDSACASA-N 2 0 243.351 -0.129 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)COC1C[NH2+]C1 ZINC000572362645 323609993 /nfs/dbraw/zinc/60/99/93/323609993.db2.gz WWBSCGNVMFDYSK-WPRPVWTQSA-N 2 0 227.308 -0.769 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC[C@@H]1CCC[NH2+]1 ZINC000572377761 323614216 /nfs/dbraw/zinc/61/42/16/323614216.db2.gz NLBHVIHTCOHYQL-JTQLQIEISA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC[C@H]1CCC[NH2+]1 ZINC000572377762 398136743 /nfs/dbraw/zinc/13/67/43/398136743.db2.gz NLBHVIHTCOHYQL-SNVBAGLBSA-N 2 0 211.309 -0.003 20 0 BBADRP CN(CCC[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000572379650 387352255 /nfs/dbraw/zinc/35/22/55/387352255.db2.gz MQZIVRJESUPPFW-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000572401422 387388368 /nfs/dbraw/zinc/38/83/68/387388368.db2.gz MWENZHVQRJFQII-PSASIEDQSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COC1C[NH2+]C1 ZINC000572401423 323621151 /nfs/dbraw/zinc/62/11/51/323621151.db2.gz MWENZHVQRJFQII-SCZZXKLOSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000572401424 323621631 /nfs/dbraw/zinc/62/16/31/323621631.db2.gz MWENZHVQRJFQII-WCBMZHEXSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)COC1C[NH2+]C1 ZINC000572401425 387388658 /nfs/dbraw/zinc/38/86/58/387388658.db2.gz MWENZHVQRJFQII-WPRPVWTQSA-N 2 0 227.308 -0.911 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[C@H](C[NH3+])OC ZINC000572402259 323622811 /nfs/dbraw/zinc/62/28/11/323622811.db2.gz CESPEFZDELDQJR-HTQZYQBOSA-N 2 0 203.286 -0.796 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[C@H](C[NH3+])OC ZINC000572402260 387399155 /nfs/dbraw/zinc/39/91/55/387399155.db2.gz CESPEFZDELDQJR-JGVFFNPUSA-N 2 0 203.286 -0.796 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H](C[NH3+])OC ZINC000572402261 323622673 /nfs/dbraw/zinc/62/26/73/323622673.db2.gz CESPEFZDELDQJR-SFYZADRCSA-N 2 0 203.286 -0.796 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[C@@H](C[NH3+])OC ZINC000572402262 323622573 /nfs/dbraw/zinc/62/25/73/323622573.db2.gz CESPEFZDELDQJR-YUMQZZPRSA-N 2 0 203.286 -0.796 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000572406156 359490146 /nfs/dbraw/zinc/49/01/46/359490146.db2.gz HSARUPXEHIHHGH-NMLBEHRDSA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@](C[NH3+])(NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000572406157 359490101 /nfs/dbraw/zinc/49/01/01/359490101.db2.gz HSARUPXEHIHHGH-POZPLHJXSA-N 2 0 211.309 -0.033 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H](C)O[C@H](COC)C1 ZINC000572413644 387409479 /nfs/dbraw/zinc/40/94/79/387409479.db2.gz NNHHCFGGFHKKHH-SRVKXCTJSA-N 2 0 246.351 -0.308 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H](COC)O[C@@H](C)C1 ZINC000572413645 387411428 /nfs/dbraw/zinc/41/14/28/387411428.db2.gz NNHHCFGGFHKKHH-TUAOUCFPSA-N 2 0 246.351 -0.308 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](C)O[C@@H](COC)C1 ZINC000572413646 387409567 /nfs/dbraw/zinc/40/95/67/387409567.db2.gz NNHHCFGGFHKKHH-UTUOFQBUSA-N 2 0 246.351 -0.308 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](C)O[C@H](COC)C1 ZINC000572413647 387411036 /nfs/dbraw/zinc/41/10/36/387411036.db2.gz NNHHCFGGFHKKHH-WOPDTQHZSA-N 2 0 246.351 -0.308 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000572424274 387418544 /nfs/dbraw/zinc/41/85/44/387418544.db2.gz CBPZZUJODIUIBZ-VIFPVBQESA-N 2 0 228.340 -0.025 20 0 BBADRP CN(CCC[NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000572425007 387418949 /nfs/dbraw/zinc/41/89/49/387418949.db2.gz ZTWNNLDIPONGPT-SECBINFHSA-N 2 0 214.313 -0.286 20 0 BBADRP CN(CCC[NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000572425008 323626105 /nfs/dbraw/zinc/62/61/05/323626105.db2.gz ZTWNNLDIPONGPT-VIFPVBQESA-N 2 0 214.313 -0.286 20 0 BBADRP COC[C@]1(C(=O)N(C)CC[NH3+])CC[NH2+]C1 ZINC000572521804 324189303 /nfs/dbraw/zinc/18/93/03/324189303.db2.gz TUAGYYNIBPUFTM-JTQLQIEISA-N 2 0 215.297 -0.970 20 0 BBADRP COC[C@@]1(C(=O)N(C)CC[NH3+])CC[NH2+]C1 ZINC000572521805 324189074 /nfs/dbraw/zinc/18/90/74/324189074.db2.gz TUAGYYNIBPUFTM-SNVBAGLBSA-N 2 0 215.297 -0.970 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)COC1C[NH2+]C1 ZINC000572523368 324189894 /nfs/dbraw/zinc/18/98/94/324189894.db2.gz AMQLQZFUWZKLNQ-UHFFFAOYSA-N 2 0 229.324 -0.582 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000572631289 323040221 /nfs/dbraw/zinc/04/02/21/323040221.db2.gz GIHQXFSSQWXHHC-AXFHLTTASA-N 2 0 243.351 -0.290 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000572631290 323040246 /nfs/dbraw/zinc/04/02/46/323040246.db2.gz GIHQXFSSQWXHHC-DCAQKATOSA-N 2 0 243.351 -0.290 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H](C)[NH3+] ZINC000572631291 323040201 /nfs/dbraw/zinc/04/02/01/323040201.db2.gz GIHQXFSSQWXHHC-MXWKQRLJSA-N 2 0 243.351 -0.290 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H](C)[NH3+] ZINC000572631292 323040215 /nfs/dbraw/zinc/04/02/15/323040215.db2.gz GIHQXFSSQWXHHC-VWYCJHECSA-N 2 0 243.351 -0.290 20 0 BBADRP CC1(C(N)=O)C[NH+](CCn2ccnc2)C1 ZINC000572636850 388363129 /nfs/dbraw/zinc/36/31/29/388363129.db2.gz DYRDTULCWIVQPW-UHFFFAOYSA-N 2 0 208.265 -0.310 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000572641003 323054136 /nfs/dbraw/zinc/05/41/36/323054136.db2.gz MGKWJNNGVRXEPY-AEJSXWLSSA-N 2 0 229.324 -0.406 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572641009 323054113 /nfs/dbraw/zinc/05/41/13/323054113.db2.gz MGKWJNNGVRXEPY-BBBLOLIVSA-N 2 0 229.324 -0.406 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000572641010 323054146 /nfs/dbraw/zinc/05/41/46/323054146.db2.gz MGKWJNNGVRXEPY-GUBZILKMSA-N 2 0 229.324 -0.406 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000572641012 323054081 /nfs/dbraw/zinc/05/40/81/323054081.db2.gz MGKWJNNGVRXEPY-UTLUCORTSA-N 2 0 229.324 -0.406 20 0 BBADRP CN(C[C@H](O)C[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000572643081 388363137 /nfs/dbraw/zinc/36/31/37/388363137.db2.gz IPWZZIACQMEKQD-NXEZZACHSA-N 3 0 201.314 -0.763 20 0 BBADRP CN(C[C@@H](O)C[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000572643082 388362951 /nfs/dbraw/zinc/36/29/51/388362951.db2.gz IPWZZIACQMEKQD-UWVGGRQHSA-N 3 0 201.314 -0.763 20 0 BBADRP CN(C[C@H](O)C[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000572643083 388361505 /nfs/dbraw/zinc/36/15/05/388361505.db2.gz IPWZZIACQMEKQD-VHSXEESVSA-N 2 0 201.314 -0.763 20 0 BBADRP CN(C[C@@H](O)C[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000572643084 388361876 /nfs/dbraw/zinc/36/18/76/388361876.db2.gz IPWZZIACQMEKQD-ZJUUUORDSA-N 2 0 201.314 -0.763 20 0 BBADRP COCC[NH2+]CC(=O)NC1(C)CC[NH2+]CC1 ZINC000572644671 323057900 /nfs/dbraw/zinc/05/79/00/323057900.db2.gz JMXUBWHUNNECJZ-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572652204 388363236 /nfs/dbraw/zinc/36/32/36/388363236.db2.gz NFQHBJCDGCAAAS-AXFHLTTASA-N 3 0 213.325 -0.892 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572652205 388362722 /nfs/dbraw/zinc/36/27/22/388362722.db2.gz NFQHBJCDGCAAAS-OUAUKWLOSA-N 3 0 213.325 -0.892 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000572713234 388368367 /nfs/dbraw/zinc/36/83/67/388368367.db2.gz WRXFRLREROEEJG-JHJVBQTASA-N 2 0 240.395 -0.003 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000572713235 388368523 /nfs/dbraw/zinc/36/85/23/388368523.db2.gz WRXFRLREROEEJG-UPJWGTAASA-N 2 0 240.395 -0.003 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000572713236 388369995 /nfs/dbraw/zinc/36/99/95/388369995.db2.gz WRXFRLREROEEJG-XQQFMLRXSA-N 2 0 240.395 -0.003 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000572713237 388370297 /nfs/dbraw/zinc/37/02/97/388370297.db2.gz WRXFRLREROEEJG-YNEHKIRRSA-N 2 0 240.395 -0.003 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572719811 388369732 /nfs/dbraw/zinc/36/97/32/388369732.db2.gz RWSUSZNHFVZIEH-GXSJLCMTSA-N 2 0 240.351 -0.772 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572719814 388370019 /nfs/dbraw/zinc/37/00/19/388370019.db2.gz RWSUSZNHFVZIEH-KOLCDFICSA-N 2 0 240.351 -0.772 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572719815 388370053 /nfs/dbraw/zinc/37/00/53/388370053.db2.gz RWSUSZNHFVZIEH-MWLCHTKSSA-N 2 0 240.351 -0.772 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572719817 388370038 /nfs/dbraw/zinc/37/00/38/388370038.db2.gz RWSUSZNHFVZIEH-ONGXEEELSA-N 2 0 240.351 -0.772 20 0 BBADRP O=C(COC1CC[NH2+]CC1)N[C@H]1CCC[NH2+]C1 ZINC000572720491 388369784 /nfs/dbraw/zinc/36/97/84/388369784.db2.gz SCALKUGTYIZVAD-JTQLQIEISA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000572750479 326408855 /nfs/dbraw/zinc/40/88/55/326408855.db2.gz YWGMVVFUMVQTTO-JTQLQIEISA-N 2 0 241.335 -0.378 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000572750480 326408727 /nfs/dbraw/zinc/40/87/27/326408727.db2.gz YWGMVVFUMVQTTO-SNVBAGLBSA-N 2 0 241.335 -0.378 20 0 BBADRP COCC1(CNC(=O)[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000572760587 388374018 /nfs/dbraw/zinc/37/40/18/388374018.db2.gz XIDRTJLQCQAQBU-SECBINFHSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]C[C@H](O)C[NH2+]CC1(O)CCCC1 ZINC000572842264 388379575 /nfs/dbraw/zinc/37/95/75/388379575.db2.gz ZGCYHPZJHFNHGN-VIFPVBQESA-N 2 0 202.298 -0.539 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000572842990 388380891 /nfs/dbraw/zinc/38/08/91/388380891.db2.gz BQNZSTJITNUWQF-BDAKNGLRSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000572842991 326414437 /nfs/dbraw/zinc/41/44/37/326414437.db2.gz BQNZSTJITNUWQF-DTWKUNHWSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000572842992 388380890 /nfs/dbraw/zinc/38/08/90/388380890.db2.gz BQNZSTJITNUWQF-IUCAKERBSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000572842993 326414369 /nfs/dbraw/zinc/41/43/69/326414369.db2.gz BQNZSTJITNUWQF-RKDXNWHRSA-N 2 0 231.340 -0.160 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN(C)Cc1cnn(C)c1 ZINC000572847450 388380920 /nfs/dbraw/zinc/38/09/20/388380920.db2.gz BMUYPTUIELLBTL-LLVKDONJSA-N 2 0 226.324 -0.178 20 0 BBADRP C[NH2+]C[C@](C)(O)CN(C)Cc1cnn(C)c1 ZINC000572847451 388380618 /nfs/dbraw/zinc/38/06/18/388380618.db2.gz BMUYPTUIELLBTL-NSHDSACASA-N 2 0 226.324 -0.178 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000572876441 326416594 /nfs/dbraw/zinc/41/65/94/326416594.db2.gz FZPRFMHRCIQPOT-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000572876442 388383507 /nfs/dbraw/zinc/38/35/07/388383507.db2.gz FZPRFMHRCIQPOT-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@]12C[C@H]1CC[NH2+]2 ZINC000572882999 387228226 /nfs/dbraw/zinc/22/82/26/387228226.db2.gz WTQIIDDZGWFBFR-ABCHNEDTSA-N 2 0 207.277 -0.928 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000572952482 326420537 /nfs/dbraw/zinc/42/05/37/326420537.db2.gz WZENHIAWDZMGQF-CMPLNLGQSA-N 2 0 241.335 -0.534 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000572952483 326420513 /nfs/dbraw/zinc/42/05/13/326420513.db2.gz WZENHIAWDZMGQF-JQWIXIFHSA-N 2 0 241.335 -0.534 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000572952484 326420608 /nfs/dbraw/zinc/42/06/08/326420608.db2.gz WZENHIAWDZMGQF-PWSUYJOCSA-N 2 0 241.335 -0.534 20 0 BBADRP COC[C@@]1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000572952485 388397144 /nfs/dbraw/zinc/39/71/44/388397144.db2.gz WZENHIAWDZMGQF-ZYHUDNBSSA-N 2 0 241.335 -0.534 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000572952882 388390623 /nfs/dbraw/zinc/39/06/23/388390623.db2.gz NVAWZNQUUPOHEH-IVZWLZJFSA-N 2 0 227.308 -0.783 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000572952883 388390575 /nfs/dbraw/zinc/39/05/75/388390575.db2.gz NVAWZNQUUPOHEH-LPEHRKFASA-N 2 0 227.308 -0.783 20 0 BBADRP [NH3+]C1(CNC(=O)COC2CC[NH2+]CC2)CCC1 ZINC000572958333 326421024 /nfs/dbraw/zinc/42/10/24/326421024.db2.gz UYUPHZWXJQFSLA-UHFFFAOYSA-N 2 0 241.335 -0.247 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000572962134 326421276 /nfs/dbraw/zinc/42/12/76/326421276.db2.gz OWWDBSUIHJRAEY-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000572962135 326421286 /nfs/dbraw/zinc/42/12/86/326421286.db2.gz OWWDBSUIHJRAEY-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000572962136 388399141 /nfs/dbraw/zinc/39/91/41/388399141.db2.gz OWWDBSUIHJRAEY-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000572962137 388399610 /nfs/dbraw/zinc/39/96/10/388399610.db2.gz OWWDBSUIHJRAEY-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000572999414 323048659 /nfs/dbraw/zinc/04/86/59/323048659.db2.gz WEMIPRPQMNFGJD-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000572999415 323048708 /nfs/dbraw/zinc/04/87/08/323048708.db2.gz WEMIPRPQMNFGJD-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000572999416 323048720 /nfs/dbraw/zinc/04/87/20/323048720.db2.gz WEMIPRPQMNFGJD-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000572999417 323048711 /nfs/dbraw/zinc/04/87/11/323048711.db2.gz WEMIPRPQMNFGJD-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000572999920 326424062 /nfs/dbraw/zinc/42/40/62/326424062.db2.gz BVSWRYNGQGAKFH-KKZNHRDASA-N 2 0 229.324 -0.536 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)[C@H](C)[NH3+])CC[NH2+]C1 ZINC000572999921 388404358 /nfs/dbraw/zinc/40/43/58/388404358.db2.gz BVSWRYNGQGAKFH-NGZCFLSTSA-N 2 0 229.324 -0.536 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC[NH2+]C1 ZINC000572999922 326424117 /nfs/dbraw/zinc/42/41/17/326424117.db2.gz BVSWRYNGQGAKFH-QXEWZRGKSA-N 2 0 229.324 -0.536 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000572999923 388404643 /nfs/dbraw/zinc/40/46/43/388404643.db2.gz BVSWRYNGQGAKFH-YWVKMMECSA-N 2 0 229.324 -0.536 20 0 BBADRP CN1CCN(C(=O)CCN2CC[C@H]([NH3+])C2)CC1 ZINC000573001533 388404858 /nfs/dbraw/zinc/40/48/58/388404858.db2.gz STDXREJQCMJMEH-NSHDSACASA-N 2 0 240.351 -0.817 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573003332 388405472 /nfs/dbraw/zinc/40/54/72/388405472.db2.gz KQOSMZUYIJFODD-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573003333 388405341 /nfs/dbraw/zinc/40/53/41/388405341.db2.gz KQOSMZUYIJFODD-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]CCCC(=O)NCCCN1CC[NH2+]CC1 ZINC000573088076 364784047 /nfs/dbraw/zinc/78/40/47/364784047.db2.gz DQYUHZHECCRDEE-UHFFFAOYSA-N 2 0 228.340 -0.863 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000573089830 398209478 /nfs/dbraw/zinc/20/94/78/398209478.db2.gz SIWXHCFPLDGYFE-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000573089831 398209532 /nfs/dbraw/zinc/20/95/32/398209532.db2.gz SIWXHCFPLDGYFE-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000573092339 398209056 /nfs/dbraw/zinc/20/90/56/398209056.db2.gz GZFQWZSHXRAYPY-CDLYGTGVSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000573092341 398209555 /nfs/dbraw/zinc/20/95/55/398209555.db2.gz GZFQWZSHXRAYPY-CKEKPRIKSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000573092342 398209428 /nfs/dbraw/zinc/20/94/28/398209428.db2.gz GZFQWZSHXRAYPY-LOKLDPHHSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000573092343 398209077 /nfs/dbraw/zinc/20/90/77/398209077.db2.gz GZFQWZSHXRAYPY-SJQPAMGKSA-N 2 0 211.309 -0.020 20 0 BBADRP O=C(COC1C[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000573116973 326430529 /nfs/dbraw/zinc/43/05/29/326430529.db2.gz BCECSNLIOLZIMG-UHFFFAOYSA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000573121341 326430733 /nfs/dbraw/zinc/43/07/33/326430733.db2.gz AMZGUBXOKNRNIR-AEJSXWLSSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000573121342 326430897 /nfs/dbraw/zinc/43/08/97/326430897.db2.gz AMZGUBXOKNRNIR-GUBZILKMSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000573121343 388421809 /nfs/dbraw/zinc/42/18/09/388421809.db2.gz AMZGUBXOKNRNIR-IVZWLZJFSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000573121344 388421539 /nfs/dbraw/zinc/42/15/39/388421539.db2.gz AMZGUBXOKNRNIR-LPEHRKFASA-N 2 0 229.324 -0.393 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000573131190 326431277 /nfs/dbraw/zinc/43/12/77/326431277.db2.gz SYSLCUAUQMSODV-LLVKDONJSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000573205388 326435072 /nfs/dbraw/zinc/43/50/72/326435072.db2.gz OEZUIFLCFBLSKW-LLVKDONJSA-N 2 0 243.351 -0.190 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000573205389 388431918 /nfs/dbraw/zinc/43/19/18/388431918.db2.gz OEZUIFLCFBLSKW-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000573207759 326435345 /nfs/dbraw/zinc/43/53/45/326435345.db2.gz KSYYUCUESBYKNY-JFGNBEQYSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000573207760 326435409 /nfs/dbraw/zinc/43/54/09/326435409.db2.gz KSYYUCUESBYKNY-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP C[C@H](C[NH3+])C(=O)NCCN1CCO[C@H](C)C1 ZINC000573209506 388431437 /nfs/dbraw/zinc/43/14/37/388431437.db2.gz DGAVXQMPGMORDO-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000573235554 388434840 /nfs/dbraw/zinc/43/48/40/388434840.db2.gz CGRFASZSQUBZLW-GMTAPVOTSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000573235556 388435366 /nfs/dbraw/zinc/43/53/66/388435366.db2.gz CGRFASZSQUBZLW-MXWKQRLJSA-N 2 0 241.335 -0.392 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000573235798 388435224 /nfs/dbraw/zinc/43/52/24/388435224.db2.gz QGPQCNUSFFKTQM-SECBINFHSA-N 2 0 211.309 -0.005 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000573235799 326437148 /nfs/dbraw/zinc/43/71/48/326437148.db2.gz QGPQCNUSFFKTQM-VIFPVBQESA-N 2 0 211.309 -0.005 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000573246895 326437593 /nfs/dbraw/zinc/43/75/93/326437593.db2.gz LAFQKRDTEOZHKP-NXEZZACHSA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000573246898 388434990 /nfs/dbraw/zinc/43/49/90/388434990.db2.gz LAFQKRDTEOZHKP-ZJUUUORDSA-N 2 0 227.308 -0.828 20 0 BBADRP CC1(C(=O)NC[C@H]2C[NH2+]CCCO2)C[NH2+]C1 ZINC000573246939 326437638 /nfs/dbraw/zinc/43/76/38/326437638.db2.gz NCQNECZGHHNIES-SECBINFHSA-N 2 0 227.308 -0.909 20 0 BBADRP CC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[NH2+]C1 ZINC000573246940 388434692 /nfs/dbraw/zinc/43/46/92/388434692.db2.gz NCQNECZGHHNIES-VIFPVBQESA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CSCN1 ZINC000573250887 384370964 /nfs/dbraw/zinc/37/09/64/384370964.db2.gz JAMMPAGSNFDOCK-IUCAKERBSA-N 2 0 245.348 -0.856 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000573266149 364790126 /nfs/dbraw/zinc/79/01/26/364790126.db2.gz UVJDWLGUZJFXDU-WCBMZHEXSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000573266150 364789747 /nfs/dbraw/zinc/78/97/47/364789747.db2.gz UVJDWLGUZJFXDU-WPRPVWTQSA-N 2 0 211.309 -0.053 20 0 BBADRP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573267242 326438707 /nfs/dbraw/zinc/43/87/07/326438707.db2.gz CIGKMKKXAJEMLY-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000573322222 364798001 /nfs/dbraw/zinc/79/80/01/364798001.db2.gz VQAXLUUCBTWELY-AEJSXWLSSA-N 2 0 244.339 -0.519 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000573322223 364791280 /nfs/dbraw/zinc/79/12/80/364791280.db2.gz VQAXLUUCBTWELY-GUBZILKMSA-N 2 0 244.339 -0.519 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000573322224 364793195 /nfs/dbraw/zinc/79/31/95/364793195.db2.gz VQAXLUUCBTWELY-IVZWLZJFSA-N 2 0 244.339 -0.519 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000573322225 364792756 /nfs/dbraw/zinc/79/27/56/364792756.db2.gz VQAXLUUCBTWELY-LPEHRKFASA-N 2 0 244.339 -0.519 20 0 BBADRP CC(C)([NH3+])CNCCCN1CC[NH2+]CC1 ZINC000573323561 364798912 /nfs/dbraw/zinc/79/89/12/364798912.db2.gz NOYXFTRNZOHPJZ-UHFFFAOYSA-N 2 0 214.357 -0.391 20 0 BBADRP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000573358120 364809094 /nfs/dbraw/zinc/80/90/94/364809094.db2.gz SQEOQYFSTHUWOV-GMTAPVOTSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]([NH3+])CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000573371526 364813737 /nfs/dbraw/zinc/81/37/37/364813737.db2.gz JKJQQAMMEGZUFG-GHMZBOCLSA-N 2 0 242.367 -0.347 20 0 BBADRP C[C@@H]([NH3+])CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000573371527 364813078 /nfs/dbraw/zinc/81/30/78/364813078.db2.gz JKJQQAMMEGZUFG-MNOVXSKESA-N 2 0 242.367 -0.347 20 0 BBADRP C[C@H]([NH3+])CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000573371528 364813688 /nfs/dbraw/zinc/81/36/88/364813688.db2.gz JKJQQAMMEGZUFG-QWRGUYRKSA-N 2 0 242.367 -0.347 20 0 BBADRP C[C@H]([NH3+])CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000573371529 364813669 /nfs/dbraw/zinc/81/36/69/364813669.db2.gz JKJQQAMMEGZUFG-WDEREUQCSA-N 2 0 242.367 -0.347 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573372796 364813524 /nfs/dbraw/zinc/81/35/24/364813524.db2.gz ZVZYCJBXPXVORS-AXTSPUMRSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573372797 364813203 /nfs/dbraw/zinc/81/32/03/364813203.db2.gz ZVZYCJBXPXVORS-DOLQZWNJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573372798 364813826 /nfs/dbraw/zinc/81/38/26/364813826.db2.gz ZVZYCJBXPXVORS-IMSYWVGJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573372799 364813387 /nfs/dbraw/zinc/81/33/87/364813387.db2.gz ZVZYCJBXPXVORS-QEYWKRMJSA-N 2 0 211.309 -0.162 20 0 BBADRP O=C1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)C(=O)N1 ZINC000573383369 364818202 /nfs/dbraw/zinc/81/82/02/364818202.db2.gz TWDSSAPFMZTRPU-JTQLQIEISA-N 2 0 239.319 -0.229 20 0 BBADRP O=C1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C(=O)N1 ZINC000573383370 364818324 /nfs/dbraw/zinc/81/83/24/364818324.db2.gz TWDSSAPFMZTRPU-SNVBAGLBSA-N 2 0 239.319 -0.229 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000573443535 364834237 /nfs/dbraw/zinc/83/42/37/364834237.db2.gz SVIBDSFYENAPGO-DBIOUOCHSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000573443536 364833413 /nfs/dbraw/zinc/83/34/13/364833413.db2.gz SVIBDSFYENAPGO-VLEAKVRGSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000573443537 364833932 /nfs/dbraw/zinc/83/39/32/364833932.db2.gz SVIBDSFYENAPGO-ZDCRXTMVSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000573443538 364833808 /nfs/dbraw/zinc/83/38/08/364833808.db2.gz SVIBDSFYENAPGO-ZNSHCXBVSA-N 2 0 241.335 -0.393 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000573476296 344275157 /nfs/dbraw/zinc/27/51/57/344275157.db2.gz ZONZRJKUFPDVSI-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000573476300 344275102 /nfs/dbraw/zinc/27/51/02/344275102.db2.gz ZONZRJKUFPDVSI-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2([NH3+])CCC2)O1 ZINC000573484945 364844482 /nfs/dbraw/zinc/84/44/82/364844482.db2.gz KFLANWBMXCQJKD-BDAKNGLRSA-N 2 0 227.308 -0.510 20 0 BBADRP [NH3+]C1(CNC(=O)C[C@@H]2C[NH2+]CCO2)CCC1 ZINC000573485426 364844226 /nfs/dbraw/zinc/84/42/26/364844226.db2.gz LXPQFDBBYQHUOK-SECBINFHSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]C1(CNC(=O)C[C@H]2C[NH2+]CCO2)CCC1 ZINC000573485427 364844248 /nfs/dbraw/zinc/84/42/48/364844248.db2.gz LXPQFDBBYQHUOK-VIFPVBQESA-N 2 0 227.308 -0.638 20 0 BBADRP CCCN(C(=O)[C@@H]([NH3+])COC)[C@H]1CC[NH2+]C1 ZINC000573486101 364844273 /nfs/dbraw/zinc/84/42/73/364844273.db2.gz XDZZOQDQSGXQNH-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CCCN(C(=O)[C@@H]([NH3+])COC)[C@@H]1CC[NH2+]C1 ZINC000573486103 364844328 /nfs/dbraw/zinc/84/43/28/364844328.db2.gz XDZZOQDQSGXQNH-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP [NH3+]CC1(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000573489016 364845760 /nfs/dbraw/zinc/84/57/60/364845760.db2.gz WLJFYIKXXDLBFP-MBTKJCJQSA-N 2 0 209.293 -0.551 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000573489328 364845810 /nfs/dbraw/zinc/84/58/10/364845810.db2.gz XSSWTTVDYRFGRX-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000573489329 364845804 /nfs/dbraw/zinc/84/58/04/364845804.db2.gz XSSWTTVDYRFGRX-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000573489333 364845633 /nfs/dbraw/zinc/84/56/33/364845633.db2.gz XSSWTTVDYRFGRX-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000573489335 364845471 /nfs/dbraw/zinc/84/54/71/364845471.db2.gz XSSWTTVDYRFGRX-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000573557744 364860173 /nfs/dbraw/zinc/86/01/73/364860173.db2.gz KOHCCNUWYDHWJS-NSHDSACASA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000573562359 364862091 /nfs/dbraw/zinc/86/20/91/364862091.db2.gz AHZCFMQXQDFGIR-BDAKNGLRSA-N 2 0 243.307 -0.913 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000573562360 364862291 /nfs/dbraw/zinc/86/22/91/364862291.db2.gz AHZCFMQXQDFGIR-IUCAKERBSA-N 2 0 243.307 -0.913 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000573562636 364861993 /nfs/dbraw/zinc/86/19/93/364861993.db2.gz WXQMKVKEDZCREV-GXSJLCMTSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000573562637 364861815 /nfs/dbraw/zinc/86/18/15/364861815.db2.gz WXQMKVKEDZCREV-KOLCDFICSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000573562638 364862052 /nfs/dbraw/zinc/86/20/52/364862052.db2.gz WXQMKVKEDZCREV-MWLCHTKSSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000573562639 364862175 /nfs/dbraw/zinc/86/21/75/364862175.db2.gz WXQMKVKEDZCREV-ONGXEEELSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)COC1C[NH2+]C1 ZINC000573562732 364862041 /nfs/dbraw/zinc/86/20/41/364862041.db2.gz GNYRALYSABJZBN-JTQLQIEISA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000573562733 364862234 /nfs/dbraw/zinc/86/22/34/364862234.db2.gz GNYRALYSABJZBN-SNVBAGLBSA-N 2 0 241.335 -0.521 20 0 BBADRP [NH3+]CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573563762 364862163 /nfs/dbraw/zinc/86/21/63/364862163.db2.gz HOCUDVJFVYCFHL-JTQLQIEISA-N 2 0 228.340 -0.878 20 0 BBADRP [NH3+]CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573563775 364861539 /nfs/dbraw/zinc/86/15/39/364861539.db2.gz HOCUDVJFVYCFHL-SNVBAGLBSA-N 2 0 228.340 -0.878 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN(C)CC(C)(C)C[NH3+] ZINC000573571553 364864467 /nfs/dbraw/zinc/86/44/67/364864467.db2.gz XCBPUTCNBYLILX-LLVKDONJSA-N 2 0 217.357 -0.127 20 0 BBADRP C[NH2+]C[C@](C)(O)CN(C)CC(C)(C)C[NH3+] ZINC000573571556 364864599 /nfs/dbraw/zinc/86/45/99/364864599.db2.gz XCBPUTCNBYLILX-NSHDSACASA-N 2 0 217.357 -0.127 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000573576227 364864005 /nfs/dbraw/zinc/86/40/05/364864005.db2.gz JIGNNTORNGXRLN-MNOVXSKESA-N 2 0 242.367 -0.654 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000573576228 364864121 /nfs/dbraw/zinc/86/41/21/364864121.db2.gz JIGNNTORNGXRLN-QWRGUYRKSA-N 2 0 242.367 -0.654 20 0 BBADRP COC[C@@]1(C(=O)NC[C@@H](C)C[NH3+])CC[NH2+]C1 ZINC000573605953 364872909 /nfs/dbraw/zinc/87/29/09/364872909.db2.gz OXBLQZGQBFYUJX-GXSJLCMTSA-N 2 0 229.324 -0.677 20 0 BBADRP COC[C@]1(C(=O)NC[C@H](C)C[NH3+])CC[NH2+]C1 ZINC000573605959 364872742 /nfs/dbraw/zinc/87/27/42/364872742.db2.gz OXBLQZGQBFYUJX-KOLCDFICSA-N 2 0 229.324 -0.677 20 0 BBADRP COC[C@@]1(C(=O)NC[C@H](C)C[NH3+])CC[NH2+]C1 ZINC000573605960 364872020 /nfs/dbraw/zinc/87/20/20/364872020.db2.gz OXBLQZGQBFYUJX-MWLCHTKSSA-N 2 0 229.324 -0.677 20 0 BBADRP COC[C@]1(C(=O)NC[C@@H](C)C[NH3+])CC[NH2+]C1 ZINC000573605961 364871035 /nfs/dbraw/zinc/87/10/35/364871035.db2.gz OXBLQZGQBFYUJX-ONGXEEELSA-N 2 0 229.324 -0.677 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCCO1 ZINC000573606006 344327942 /nfs/dbraw/zinc/32/79/42/344327942.db2.gz FYHKHRTZLPBCMH-GHMZBOCLSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCCO1 ZINC000573606007 344328198 /nfs/dbraw/zinc/32/81/98/344328198.db2.gz FYHKHRTZLPBCMH-MNOVXSKESA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCCO1 ZINC000573606009 344327960 /nfs/dbraw/zinc/32/79/60/344327960.db2.gz FYHKHRTZLPBCMH-QWRGUYRKSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCCO1 ZINC000573606010 344328209 /nfs/dbraw/zinc/32/82/09/344328209.db2.gz FYHKHRTZLPBCMH-WDEREUQCSA-N 2 0 241.335 -0.310 20 0 BBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)CCC(C)C ZINC000573608989 364874190 /nfs/dbraw/zinc/87/41/90/364874190.db2.gz OLTQQRJNPVKZTR-GHMZBOCLSA-N 2 0 218.341 -0.047 20 0 BBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CCC(C)C ZINC000573608990 364874029 /nfs/dbraw/zinc/87/40/29/364874029.db2.gz OLTQQRJNPVKZTR-MNOVXSKESA-N 2 0 218.341 -0.047 20 0 BBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)CCC(C)C ZINC000573608991 364873914 /nfs/dbraw/zinc/87/39/14/364873914.db2.gz OLTQQRJNPVKZTR-QWRGUYRKSA-N 2 0 218.341 -0.047 20 0 BBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)CCC(C)C ZINC000573608992 364873942 /nfs/dbraw/zinc/87/39/42/364873942.db2.gz OLTQQRJNPVKZTR-WDEREUQCSA-N 2 0 218.341 -0.047 20 0 BBADRP C[C@@H](C[NH3+])N(C)CCN1CC[NH2+]CC1 ZINC000573610132 364873931 /nfs/dbraw/zinc/87/39/31/364873931.db2.gz UHDNBZPWNZPIAV-JTQLQIEISA-N 2 0 200.330 -0.829 20 0 BBADRP C[C@H](C[NH3+])N(C)CCN1CC[NH2+]CC1 ZINC000573610133 364874083 /nfs/dbraw/zinc/87/40/83/364874083.db2.gz UHDNBZPWNZPIAV-SNVBAGLBSA-N 2 0 200.330 -0.829 20 0 BBADRP CCN(C(=O)[C@@H](C[NH3+])OC)[C@@H]1CCC[NH2+]CC1 ZINC000573624729 364877938 /nfs/dbraw/zinc/87/79/38/364877938.db2.gz UVDMMTLOSINWQL-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CCN(C(=O)[C@H](C[NH3+])OC)[C@@H]1CCC[NH2+]CC1 ZINC000573624731 364874119 /nfs/dbraw/zinc/87/41/19/364874119.db2.gz UVDMMTLOSINWQL-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CCN(C(=O)[C@H](C[NH3+])OC)[C@H]1CCC[NH2+]CC1 ZINC000573624732 364874020 /nfs/dbraw/zinc/87/40/20/364874020.db2.gz UVDMMTLOSINWQL-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CCN(C(=O)[C@@H](C[NH3+])OC)[C@H]1CCC[NH2+]CC1 ZINC000573624733 364873757 /nfs/dbraw/zinc/87/37/57/364873757.db2.gz UVDMMTLOSINWQL-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000573682727 364892473 /nfs/dbraw/zinc/89/24/73/364892473.db2.gz UPNUVGKKEAISQL-AXFHLTTASA-N 2 0 239.319 -0.957 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000573682728 364892233 /nfs/dbraw/zinc/89/22/33/364892233.db2.gz UPNUVGKKEAISQL-OUAUKWLOSA-N 2 0 239.319 -0.957 20 0 BBADRP C[NH2+]CCCC(=O)NCCN1CC[NH2+]CC1 ZINC000573682784 364891982 /nfs/dbraw/zinc/89/19/82/364891982.db2.gz YDOKFEGXQLAOJA-UHFFFAOYSA-N 2 0 228.340 -0.993 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)N(C)CCC[NH3+] ZINC000573699856 364898025 /nfs/dbraw/zinc/89/80/25/364898025.db2.gz VEGZGPYSDPPPPA-SECBINFHSA-N 2 0 216.329 -0.168 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)N(C)CCC[NH3+] ZINC000573699857 364898400 /nfs/dbraw/zinc/89/84/00/364898400.db2.gz VEGZGPYSDPPPPA-VIFPVBQESA-N 2 0 216.329 -0.168 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC000573701526 364898210 /nfs/dbraw/zinc/89/82/10/364898210.db2.gz BHNSQJCLCNTESO-MRVPVSSYSA-N 2 0 248.277 -0.402 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC000573701527 364896613 /nfs/dbraw/zinc/89/66/13/364896613.db2.gz BHNSQJCLCNTESO-QMMMGPOBSA-N 2 0 248.277 -0.402 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000573731405 364904995 /nfs/dbraw/zinc/90/49/95/364904995.db2.gz DGLFWHKZWITJEQ-AXFHLTTASA-N 3 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000573731406 364904788 /nfs/dbraw/zinc/90/47/88/364904788.db2.gz DGLFWHKZWITJEQ-DCAQKATOSA-N 3 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000573731407 364905187 /nfs/dbraw/zinc/90/51/87/364905187.db2.gz DGLFWHKZWITJEQ-MXWKQRLJSA-N 3 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000573731409 364904657 /nfs/dbraw/zinc/90/46/57/364904657.db2.gz DGLFWHKZWITJEQ-VWYCJHECSA-N 3 0 215.341 -0.374 20 0 BBADRP CN(CC[NH3+])C(=O)COC1CCC([NH3+])CC1 ZINC000573801373 364919385 /nfs/dbraw/zinc/91/93/85/364919385.db2.gz PIOQFOLCTIUOMP-UHFFFAOYSA-N 2 0 229.324 -0.310 20 0 BBADRP [NH3+]CCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573802731 364918971 /nfs/dbraw/zinc/91/89/71/364918971.db2.gz VBAJOYBTDQHOAG-TXEJJXNPSA-N 3 0 227.352 -0.107 20 0 BBADRP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000573803095 364918937 /nfs/dbraw/zinc/91/89/37/364918937.db2.gz INNRSBAXWFUURH-GHMZBOCLSA-N 2 0 240.351 -0.913 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573806159 364921450 /nfs/dbraw/zinc/92/14/50/364921450.db2.gz ZYKIOHOAFLXLFL-AOOOYVTPSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000573814118 364922817 /nfs/dbraw/zinc/92/28/17/364922817.db2.gz BHHARUFZKYBFKH-VIFPVBQESA-N 2 0 222.292 -0.361 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573841205 364928835 /nfs/dbraw/zinc/92/88/35/364928835.db2.gz NPTBZCKJJMJKFI-NXEZZACHSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573841209 364928737 /nfs/dbraw/zinc/92/87/37/364928737.db2.gz NPTBZCKJJMJKFI-UWVGGRQHSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573841210 364928371 /nfs/dbraw/zinc/92/83/71/364928371.db2.gz NPTBZCKJJMJKFI-VHSXEESVSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573841211 364928869 /nfs/dbraw/zinc/92/88/69/364928869.db2.gz NPTBZCKJJMJKFI-ZJUUUORDSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000573844273 364927956 /nfs/dbraw/zinc/92/79/56/364927956.db2.gz UVONCECZWCTGPZ-LLVKDONJSA-N 2 0 227.308 -0.828 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000573844275 364928633 /nfs/dbraw/zinc/92/86/33/364928633.db2.gz UVONCECZWCTGPZ-NSHDSACASA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000573855430 364931974 /nfs/dbraw/zinc/93/19/74/364931974.db2.gz GLVLQVRNXQBCBW-UHFFFAOYSA-N 2 0 244.335 -0.157 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000573864358 364935065 /nfs/dbraw/zinc/93/50/65/364935065.db2.gz GYLBJEZCPAQQOU-UTLUCORTSA-N 2 0 224.308 -0.648 20 0 BBADRP CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CC[NH2+]C1 ZINC000573918686 364944942 /nfs/dbraw/zinc/94/49/42/364944942.db2.gz XBFVNJDXZCHKOA-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CC[NH2+]C1 ZINC000573918687 364945197 /nfs/dbraw/zinc/94/51/97/364945197.db2.gz XBFVNJDXZCHKOA-BBBLOLIVSA-N 2 0 227.308 -0.687 20 0 BBADRP C[NH2+]CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000573919031 344555590 /nfs/dbraw/zinc/55/55/90/344555590.db2.gz CMDSXQRZIXDCAI-LURJTMIESA-N 2 0 227.230 -0.008 20 0 BBADRP C[NH2+]CCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000573919033 344555684 /nfs/dbraw/zinc/55/56/84/344555684.db2.gz CMDSXQRZIXDCAI-ZCFIWIBFSA-N 2 0 227.230 -0.008 20 0 BBADRP C(CN1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C1 ZINC000573919974 364946697 /nfs/dbraw/zinc/94/66/97/364946697.db2.gz CIKAAAIDCBSTIE-LLVKDONJSA-N 2 0 212.341 -0.767 20 0 BBADRP C(CN1CC[NH2+]CC1)N[C@H]1CCC[NH2+]C1 ZINC000573919975 364946648 /nfs/dbraw/zinc/94/66/48/364946648.db2.gz CIKAAAIDCBSTIE-NSHDSACASA-N 2 0 212.341 -0.767 20 0 BBADRP COCC[NH2+]CCNC[C@]1(C)CC[NH2+]C1 ZINC000573920715 364946567 /nfs/dbraw/zinc/94/65/67/364946567.db2.gz WILYIIYVTGEJEF-LLVKDONJSA-N 2 0 215.341 -0.188 20 0 BBADRP COCC[NH2+]CCNC[C@@]1(C)CC[NH2+]C1 ZINC000573920716 364946680 /nfs/dbraw/zinc/94/66/80/364946680.db2.gz WILYIIYVTGEJEF-NSHDSACASA-N 2 0 215.341 -0.188 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000573921332 364946737 /nfs/dbraw/zinc/94/67/37/364946737.db2.gz SKVXFWGFZIIACJ-QJPTWQEYSA-N 2 0 249.314 -0.475 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000573921333 364946536 /nfs/dbraw/zinc/94/65/36/364946536.db2.gz SKVXFWGFZIIACJ-SDDRHHMPSA-N 2 0 249.314 -0.475 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000573921771 364946577 /nfs/dbraw/zinc/94/65/77/364946577.db2.gz OBOSNGOFRYFORH-IVZWLZJFSA-N 2 0 229.324 -0.312 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000573921772 364946670 /nfs/dbraw/zinc/94/66/70/364946670.db2.gz OBOSNGOFRYFORH-KXUCPTDWSA-N 2 0 229.324 -0.312 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000573921773 364946588 /nfs/dbraw/zinc/94/65/88/364946588.db2.gz OBOSNGOFRYFORH-LPEHRKFASA-N 2 0 229.324 -0.312 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000573921774 364946659 /nfs/dbraw/zinc/94/66/59/364946659.db2.gz OBOSNGOFRYFORH-OPRDCNLKSA-N 2 0 229.324 -0.312 20 0 BBADRP COCC[NH2+]CC(=O)NC(C)(C)CCC[NH3+] ZINC000573923730 364947393 /nfs/dbraw/zinc/94/73/93/364947393.db2.gz SKUOIFLCKFGEFP-UHFFFAOYSA-N 2 0 231.340 -0.144 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000573927574 364947611 /nfs/dbraw/zinc/94/76/11/364947611.db2.gz SXOCEVJPSRHEBN-NEPJUHHUSA-N 2 0 229.368 -0.112 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000573927576 364947563 /nfs/dbraw/zinc/94/75/63/364947563.db2.gz SXOCEVJPSRHEBN-NWDGAFQWSA-N 2 0 229.368 -0.112 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000573927577 364947356 /nfs/dbraw/zinc/94/73/56/364947356.db2.gz SXOCEVJPSRHEBN-RYUDHWBXSA-N 2 0 229.368 -0.112 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000573927578 364947753 /nfs/dbraw/zinc/94/77/53/364947753.db2.gz SXOCEVJPSRHEBN-VXGBXAGGSA-N 2 0 229.368 -0.112 20 0 BBADRP C[C@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000573957410 388442860 /nfs/dbraw/zinc/44/28/60/388442860.db2.gz UNHQQQCVJVMNCF-NSHDSACASA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH+](C)CCN(C(=O)[C@H]1CC[NH2+]1)C1CC1 ZINC000573962656 364954913 /nfs/dbraw/zinc/95/49/13/364954913.db2.gz GPYNUMZBQRYWAS-SNVBAGLBSA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000573963350 364955011 /nfs/dbraw/zinc/95/50/11/364955011.db2.gz LZFKDBTWLVPEKM-VIFPVBQESA-N 2 0 249.318 -0.223 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000573964207 364955604 /nfs/dbraw/zinc/95/56/04/364955604.db2.gz USSQLKHMGWNODX-LLVKDONJSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000573964208 364956269 /nfs/dbraw/zinc/95/62/69/364956269.db2.gz USSQLKHMGWNODX-NSHDSACASA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)O1 ZINC000574038127 364972956 /nfs/dbraw/zinc/97/29/56/364972956.db2.gz WSYMQWIKUKIHFV-AXFHLTTASA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)O1 ZINC000574038128 364972838 /nfs/dbraw/zinc/97/28/38/364972838.db2.gz WSYMQWIKUKIHFV-MXWKQRLJSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]CC1(CC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000574038927 364972080 /nfs/dbraw/zinc/97/20/80/364972080.db2.gz SCQBCCASXHRLOF-UHFFFAOYSA-N 2 0 240.351 -0.863 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000574039045 364972112 /nfs/dbraw/zinc/97/21/12/364972112.db2.gz FVYVVQGEKLBAPI-GHMZBOCLSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000574039046 364971841 /nfs/dbraw/zinc/97/18/41/364971841.db2.gz FVYVVQGEKLBAPI-MNOVXSKESA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000574039047 364972765 /nfs/dbraw/zinc/97/27/65/364972765.db2.gz FVYVVQGEKLBAPI-QWRGUYRKSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000574039104 364972139 /nfs/dbraw/zinc/97/21/39/364972139.db2.gz FVYVVQGEKLBAPI-WDEREUQCSA-N 2 0 243.351 -0.001 20 0 BBADRP [NH3+]C[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000574040657 364973460 /nfs/dbraw/zinc/97/34/60/364973460.db2.gz TUFAJWYNXKUYAF-GFCCVEGCSA-N 2 0 226.368 -0.295 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000574040658 364974510 /nfs/dbraw/zinc/97/45/10/364974510.db2.gz TUFAJWYNXKUYAF-LBPRGKRZSA-N 2 0 226.368 -0.295 20 0 BBADRP C[NH2+]CCCN(C)C[C@@](C)(O)C[NH2+]C ZINC000574046406 364975337 /nfs/dbraw/zinc/97/53/37/364975337.db2.gz JNXLOWJOFDWZJO-JTQLQIEISA-N 2 0 203.330 -0.502 20 0 BBADRP C[NH2+]CCCN(C)C[C@](C)(O)C[NH2+]C ZINC000574046410 364975064 /nfs/dbraw/zinc/97/50/64/364975064.db2.gz JNXLOWJOFDWZJO-SNVBAGLBSA-N 2 0 203.330 -0.502 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000574071395 364981351 /nfs/dbraw/zinc/98/13/51/364981351.db2.gz OSZHGERINZSIKW-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000574071396 364980940 /nfs/dbraw/zinc/98/09/40/364980940.db2.gz OSZHGERINZSIKW-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COC3C[NH2+]C3)C[C@H]12 ZINC000574079096 344650380 /nfs/dbraw/zinc/65/03/80/344650380.db2.gz ADIQBPWODCIGOC-DVVUODLYSA-N 2 0 239.319 -0.830 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COC3C[NH2+]C3)C[C@@H]12 ZINC000574079115 344650633 /nfs/dbraw/zinc/65/06/33/344650633.db2.gz ADIQBPWODCIGOC-FBIMIBRVSA-N 2 0 239.319 -0.830 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)COC3C[NH2+]C3)C[C@H]12 ZINC000574079119 344650797 /nfs/dbraw/zinc/65/07/97/344650797.db2.gz ADIQBPWODCIGOC-INTQDDNPSA-N 2 0 239.319 -0.830 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)COC3C[NH2+]C3)C[C@@H]12 ZINC000574079128 344650496 /nfs/dbraw/zinc/65/04/96/344650496.db2.gz ADIQBPWODCIGOC-JMJZKYOTSA-N 2 0 239.319 -0.830 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[NH2+]1 ZINC000574080677 364983150 /nfs/dbraw/zinc/98/31/50/364983150.db2.gz WGQQXAFQCYZNLZ-BBBLOLIVSA-N 2 0 227.308 -0.687 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000574085665 488018244 /nfs/dbraw/zinc/01/82/44/488018244.db2.gz FDVNEXGITYUNHH-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000574085666 488018408 /nfs/dbraw/zinc/01/84/08/488018408.db2.gz FDVNEXGITYUNHH-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@H]1C[N@H+](CCC[NH2+]CCC(N)=O)CCCO1 ZINC000574150751 364997051 /nfs/dbraw/zinc/99/70/51/364997051.db2.gz IITYVRMBQFQNNR-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@H]1C[N@H+](CCC[NH2+]CCC(N)=O)CCCO1 ZINC000574150755 364996906 /nfs/dbraw/zinc/99/69/06/364996906.db2.gz IITYVRMBQFQNNR-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000574155806 364996672 /nfs/dbraw/zinc/99/66/72/364996672.db2.gz DIFQHUPFRCPVKR-DDHJBXDOSA-N 2 0 237.347 -0.090 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000574155807 364996761 /nfs/dbraw/zinc/99/67/61/364996761.db2.gz DIFQHUPFRCPVKR-NOOOWODRSA-N 2 0 237.347 -0.090 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000574155808 364996981 /nfs/dbraw/zinc/99/69/81/364996981.db2.gz DIFQHUPFRCPVKR-WISYIIOYSA-N 2 0 237.347 -0.090 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000574155809 364991619 /nfs/dbraw/zinc/99/16/19/364991619.db2.gz DIFQHUPFRCPVKR-WRWGMCAJSA-N 2 0 237.347 -0.090 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000574156137 364996785 /nfs/dbraw/zinc/99/67/85/364996785.db2.gz JWBDIUQZFUBIFS-AXFHLTTASA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000574156138 364996988 /nfs/dbraw/zinc/99/69/88/364996988.db2.gz JWBDIUQZFUBIFS-DCAQKATOSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000574156139 364998401 /nfs/dbraw/zinc/99/84/01/364998401.db2.gz JWBDIUQZFUBIFS-MXWKQRLJSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000574156140 364998345 /nfs/dbraw/zinc/99/83/45/364998345.db2.gz JWBDIUQZFUBIFS-VWYCJHECSA-N 2 0 243.351 -0.064 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000574156153 364998455 /nfs/dbraw/zinc/99/84/55/364998455.db2.gz KEAAWPZSTQFLRD-GFCCVEGCSA-N 2 0 243.351 -0.129 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000574156154 364998001 /nfs/dbraw/zinc/99/80/01/364998001.db2.gz KEAAWPZSTQFLRD-LBPRGKRZSA-N 2 0 243.351 -0.129 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000574159295 364997789 /nfs/dbraw/zinc/99/77/89/364997789.db2.gz ATIIJCLFDGCSMN-UHFFFAOYSA-N 2 0 215.297 -0.782 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000574164878 365001579 /nfs/dbraw/zinc/00/15/79/365001579.db2.gz SRXCYVCTLQOPSJ-NEPJUHHUSA-N 3 0 227.352 -0.358 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574164881 365000822 /nfs/dbraw/zinc/00/08/22/365000822.db2.gz SRXCYVCTLQOPSJ-NWDGAFQWSA-N 3 0 227.352 -0.358 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000574164882 365001235 /nfs/dbraw/zinc/00/12/35/365001235.db2.gz SRXCYVCTLQOPSJ-RYUDHWBXSA-N 3 0 227.352 -0.358 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574164883 365001342 /nfs/dbraw/zinc/00/13/42/365001342.db2.gz SRXCYVCTLQOPSJ-VXGBXAGGSA-N 3 0 227.352 -0.358 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000574200775 491129010 /nfs/dbraw/zinc/12/90/10/491129010.db2.gz QSEZKVRUVKVILG-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000574200776 491129007 /nfs/dbraw/zinc/12/90/07/491129007.db2.gz QSEZKVRUVKVILG-MNOVXSKESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000574200777 491129065 /nfs/dbraw/zinc/12/90/65/491129065.db2.gz QSEZKVRUVKVILG-QWRGUYRKSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000574200779 491129058 /nfs/dbraw/zinc/12/90/58/491129058.db2.gz QSEZKVRUVKVILG-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP C[C@]1(CNC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000574204343 365009517 /nfs/dbraw/zinc/00/95/17/365009517.db2.gz CIQKAPXZVAHWEJ-NEPJUHHUSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@]1(CNC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000574204344 365009062 /nfs/dbraw/zinc/00/90/62/365009062.db2.gz CIQKAPXZVAHWEJ-NWDGAFQWSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@]1(CNC[C@@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000574204345 365009664 /nfs/dbraw/zinc/00/96/64/365009664.db2.gz CIQKAPXZVAHWEJ-RYUDHWBXSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@]1(CNC[C@H]2C[NH2+]CCCO2)CC[NH2+]C1 ZINC000574204346 365009607 /nfs/dbraw/zinc/00/96/07/365009607.db2.gz CIQKAPXZVAHWEJ-VXGBXAGGSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000574204718 365009259 /nfs/dbraw/zinc/00/92/59/365009259.db2.gz HKTLRXCBRUHPCZ-JQWIXIFHSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000574204719 365009769 /nfs/dbraw/zinc/00/97/69/365009769.db2.gz HKTLRXCBRUHPCZ-PWSUYJOCSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000574276136 365026413 /nfs/dbraw/zinc/02/64/13/365026413.db2.gz JNBXMDCAMDZLJS-JLIMGVALSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000574276137 365026127 /nfs/dbraw/zinc/02/61/27/365026127.db2.gz JNBXMDCAMDZLJS-KYXWUPHJSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000574276138 365026030 /nfs/dbraw/zinc/02/60/30/365026030.db2.gz JNBXMDCAMDZLJS-QEYWKRMJSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H](C)[NH3+] ZINC000574276139 365026287 /nfs/dbraw/zinc/02/62/87/365026287.db2.gz JNBXMDCAMDZLJS-RGOKHQFPSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000574276268 365026203 /nfs/dbraw/zinc/02/62/03/365026203.db2.gz RUQFHUJNEUTJQJ-GHMZBOCLSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000574276269 365026025 /nfs/dbraw/zinc/02/60/25/365026025.db2.gz RUQFHUJNEUTJQJ-MNOVXSKESA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000574276270 365026239 /nfs/dbraw/zinc/02/62/39/365026239.db2.gz RUQFHUJNEUTJQJ-QWRGUYRKSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000574276271 365026292 /nfs/dbraw/zinc/02/62/92/365026292.db2.gz RUQFHUJNEUTJQJ-WDEREUQCSA-N 2 0 243.351 -0.001 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@H](C)[NH3+] ZINC000574279112 365026418 /nfs/dbraw/zinc/02/64/18/365026418.db2.gz QSEUNWHKHDTSJG-VIFPVBQESA-N 2 0 217.313 -0.630 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000574292174 365032655 /nfs/dbraw/zinc/03/26/55/365032655.db2.gz KKRIHBHKYNMVIV-UWVGGRQHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000574292175 365032658 /nfs/dbraw/zinc/03/26/58/365032658.db2.gz KKRIHBHKYNMVIV-ZJUUUORDSA-N 2 0 211.309 -0.146 20 0 BBADRP C[N@@H+]1CCN(CC[NH2+]CCC(N)=O)CC1(C)C ZINC000574392968 365051343 /nfs/dbraw/zinc/05/13/43/365051343.db2.gz KFXANZGJXVALEP-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP Cn1nccc1CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574414319 365057731 /nfs/dbraw/zinc/05/77/31/365057731.db2.gz PTPKAGYSQPADSR-GHMZBOCLSA-N 2 0 249.318 -0.836 20 0 BBADRP Cn1nccc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574414320 365057931 /nfs/dbraw/zinc/05/79/31/365057931.db2.gz PTPKAGYSQPADSR-MNOVXSKESA-N 2 0 249.318 -0.836 20 0 BBADRP Cn1nccc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574414321 365057298 /nfs/dbraw/zinc/05/72/98/365057298.db2.gz PTPKAGYSQPADSR-QWRGUYRKSA-N 2 0 249.318 -0.836 20 0 BBADRP Cn1nccc1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574414322 365057327 /nfs/dbraw/zinc/05/73/27/365057327.db2.gz PTPKAGYSQPADSR-WDEREUQCSA-N 2 0 249.318 -0.836 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)C1CC1 ZINC000574450873 365064545 /nfs/dbraw/zinc/06/45/45/365064545.db2.gz WXESNDSSOJXSSL-JTQLQIEISA-N 2 0 229.324 -0.487 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)C1CC1 ZINC000574450874 365065198 /nfs/dbraw/zinc/06/51/98/365065198.db2.gz WXESNDSSOJXSSL-SNVBAGLBSA-N 2 0 229.324 -0.487 20 0 BBADRP C[NH2+]CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000574451449 365064917 /nfs/dbraw/zinc/06/49/17/365064917.db2.gz RQQMDNFDSWTNQI-UHFFFAOYSA-N 2 0 249.318 -0.351 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000574451750 365065416 /nfs/dbraw/zinc/06/54/16/365065416.db2.gz LOBPKGFATATEKN-SSDOTTSWSA-N 2 0 205.327 -0.516 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000574454264 365066936 /nfs/dbraw/zinc/06/69/36/365066936.db2.gz VQOOAZJGASHKOC-BDAKNGLRSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000574454265 365060497 /nfs/dbraw/zinc/06/04/97/365060497.db2.gz VQOOAZJGASHKOC-DTWKUNHWSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000574454266 365059805 /nfs/dbraw/zinc/05/98/05/365059805.db2.gz VQOOAZJGASHKOC-IUCAKERBSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000574454267 365060052 /nfs/dbraw/zinc/06/00/52/365060052.db2.gz VQOOAZJGASHKOC-RKDXNWHRSA-N 2 0 229.324 -0.393 20 0 BBADRP [NH3+]C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000574466199 365064186 /nfs/dbraw/zinc/06/41/86/365064186.db2.gz BANQUYYQNYOZRD-DTWKUNHWSA-N 2 0 212.297 -0.615 20 0 BBADRP [NH3+]C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000574466208 365063472 /nfs/dbraw/zinc/06/34/72/365063472.db2.gz BANQUYYQNYOZRD-IUCAKERBSA-N 2 0 212.297 -0.615 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574466523 365071597 /nfs/dbraw/zinc/07/15/97/365071597.db2.gz KGIFUWCSIGFTOD-JTQLQIEISA-N 2 0 228.340 -0.996 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574466524 365071195 /nfs/dbraw/zinc/07/11/95/365071195.db2.gz KGIFUWCSIGFTOD-SNVBAGLBSA-N 2 0 228.340 -0.996 20 0 BBADRP CC1=CC[N@H+](CCNC(=O)NC2C[NH2+]C2)CC1 ZINC000574548682 365088099 /nfs/dbraw/zinc/08/80/99/365088099.db2.gz VRIBTGDRYIDYEI-UHFFFAOYSA-N 2 0 238.335 -0.091 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000574564731 365090468 /nfs/dbraw/zinc/09/04/68/365090468.db2.gz ZZZRTPYGLHJKNH-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000574564732 365090561 /nfs/dbraw/zinc/09/05/61/365090561.db2.gz ZZZRTPYGLHJKNH-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000574564733 365090527 /nfs/dbraw/zinc/09/05/27/365090527.db2.gz ZZZRTPYGLHJKNH-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000574564734 365090696 /nfs/dbraw/zinc/09/06/96/365090696.db2.gz ZZZRTPYGLHJKNH-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574569513 365091634 /nfs/dbraw/zinc/09/16/34/365091634.db2.gz TWRXGADPRPHRGF-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574569517 365092206 /nfs/dbraw/zinc/09/22/06/365092206.db2.gz TWRXGADPRPHRGF-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000574573163 365094040 /nfs/dbraw/zinc/09/40/40/365094040.db2.gz VGCPACOVTOKDLD-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574630112 365106305 /nfs/dbraw/zinc/10/63/05/365106305.db2.gz KMHKGTSTZPGFQZ-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574630115 365105898 /nfs/dbraw/zinc/10/58/98/365105898.db2.gz KMHKGTSTZPGFQZ-UTLUCORTSA-N 2 0 227.308 -0.687 20 0 BBADRP CN(CC[NH3+])C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000574637032 365108821 /nfs/dbraw/zinc/10/88/21/365108821.db2.gz PUWUWOHBIPKCEF-MRVPVSSYSA-N 2 0 217.338 -0.501 20 0 BBADRP CN(CC[NH3+])C(=O)C[C@H]1CSCC[NH2+]1 ZINC000574637033 365109329 /nfs/dbraw/zinc/10/93/29/365109329.db2.gz PUWUWOHBIPKCEF-QMMMGPOBSA-N 2 0 217.338 -0.501 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)CCO1 ZINC000574637090 365109309 /nfs/dbraw/zinc/10/93/09/365109309.db2.gz RSXNFWJJWVYECD-SECBINFHSA-N 2 0 227.308 -0.699 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CCO1 ZINC000574637092 365108655 /nfs/dbraw/zinc/10/86/55/365108655.db2.gz RSXNFWJJWVYECD-VIFPVBQESA-N 2 0 227.308 -0.699 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000574637308 365109217 /nfs/dbraw/zinc/10/92/17/365109217.db2.gz YVWKBJQLMMKJIK-SCZZXKLOSA-N 2 0 209.293 -0.441 20 0 BBADRP C[C@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000574684103 365119098 /nfs/dbraw/zinc/11/90/98/365119098.db2.gz DSMCAQDZKURQRH-NSHDSACASA-N 2 0 229.368 -0.017 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000574687764 365121332 /nfs/dbraw/zinc/12/13/32/365121332.db2.gz BKWBFIGHQRHKLT-SNVBAGLBSA-N 2 0 222.292 -0.231 20 0 BBADRP C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC000574689542 365120998 /nfs/dbraw/zinc/12/09/98/365120998.db2.gz QEGRIHIVPHMRNB-UHFFFAOYSA-N 2 0 211.309 -0.050 20 0 BBADRP [NH3+]CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000574689913 365121550 /nfs/dbraw/zinc/12/15/50/365121550.db2.gz ZMYURFADMBOOGR-CYBMUJFWSA-N 2 0 233.315 -0.007 20 0 BBADRP [NH3+]CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000574689914 365120970 /nfs/dbraw/zinc/12/09/70/365120970.db2.gz ZMYURFADMBOOGR-ZDUSSCGKSA-N 2 0 233.315 -0.007 20 0 BBADRP COCC[NH2+]CC(=O)N(C)C1CC([NH3+])C1 ZINC000574690380 365121065 /nfs/dbraw/zinc/12/10/65/365121065.db2.gz FDALAVQODAZPEP-UHFFFAOYSA-N 2 0 215.297 -0.830 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000574692502 365122732 /nfs/dbraw/zinc/12/27/32/365122732.db2.gz RMOBCQGIANIYFC-GJMOJQLCSA-N 2 0 233.262 -0.163 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000574692503 365122964 /nfs/dbraw/zinc/12/29/64/365122964.db2.gz RMOBCQGIANIYFC-RNJXMRFFSA-N 2 0 233.262 -0.163 20 0 BBADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000574703191 365127113 /nfs/dbraw/zinc/12/71/13/365127113.db2.gz ASIJOYZLWXROJY-GUBZILKMSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000574703199 365127202 /nfs/dbraw/zinc/12/72/02/365127202.db2.gz ASIJOYZLWXROJY-KXUCPTDWSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000574703202 365125533 /nfs/dbraw/zinc/12/55/33/365125533.db2.gz ASIJOYZLWXROJY-LPEHRKFASA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000574703204 365125766 /nfs/dbraw/zinc/12/57/66/365125766.db2.gz ASIJOYZLWXROJY-UTLUCORTSA-N 2 0 226.324 -0.273 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000574754733 365134782 /nfs/dbraw/zinc/13/47/82/365134782.db2.gz MNCIBWCCBLDQRT-BDAKNGLRSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000574754738 365135104 /nfs/dbraw/zinc/13/51/04/365135104.db2.gz MNCIBWCCBLDQRT-DTWKUNHWSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000574754739 365134833 /nfs/dbraw/zinc/13/48/33/365134833.db2.gz MNCIBWCCBLDQRT-IUCAKERBSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000574754741 365135377 /nfs/dbraw/zinc/13/53/77/365135377.db2.gz MNCIBWCCBLDQRT-RKDXNWHRSA-N 2 0 227.308 -0.782 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000574755148 365134731 /nfs/dbraw/zinc/13/47/31/365134731.db2.gz YFKWSRHFKRLHCY-LLVKDONJSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000574755154 365135241 /nfs/dbraw/zinc/13/52/41/365135241.db2.gz YFKWSRHFKRLHCY-NSHDSACASA-N 2 0 240.351 -0.994 20 0 BBADRP [NH3+]CC1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000574756220 365137291 /nfs/dbraw/zinc/13/72/91/365137291.db2.gz PKZJMZDCMPCHFY-UHFFFAOYSA-N 2 0 227.308 -0.828 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000574757501 365136398 /nfs/dbraw/zinc/13/63/98/365136398.db2.gz DZKITGCSGAWVRJ-LLVKDONJSA-N 2 0 237.303 -0.265 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000574757504 365136472 /nfs/dbraw/zinc/13/64/72/365136472.db2.gz DZKITGCSGAWVRJ-NSHDSACASA-N 2 0 237.303 -0.265 20 0 BBADRP COCC1(CNC(=O)C(C)(C)[NH3+])CC[NH2+]CC1 ZINC000574809072 365148859 /nfs/dbraw/zinc/14/88/59/365148859.db2.gz OMNLTPKJDZHRBM-UHFFFAOYSA-N 2 0 243.351 -0.144 20 0 BBADRP COCCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574823164 365153223 /nfs/dbraw/zinc/15/32/23/365153223.db2.gz HWEPAYMYCXTFNL-GHMZBOCLSA-N 2 0 241.335 -0.343 20 0 BBADRP COCCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574823169 365152769 /nfs/dbraw/zinc/15/27/69/365152769.db2.gz HWEPAYMYCXTFNL-MNOVXSKESA-N 2 0 241.335 -0.343 20 0 BBADRP COCCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574823171 365153375 /nfs/dbraw/zinc/15/33/75/365153375.db2.gz HWEPAYMYCXTFNL-QWRGUYRKSA-N 2 0 241.335 -0.343 20 0 BBADRP COCCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574823172 365153571 /nfs/dbraw/zinc/15/35/71/365153571.db2.gz HWEPAYMYCXTFNL-WDEREUQCSA-N 2 0 241.335 -0.343 20 0 BBADRP C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@H]1[NH3+] ZINC000574874455 365164037 /nfs/dbraw/zinc/16/40/37/365164037.db2.gz KPXCBBROFADCFO-GXSJLCMTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000574874459 365163798 /nfs/dbraw/zinc/16/37/98/365163798.db2.gz KPXCBBROFADCFO-KOLCDFICSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@H]1[NH3+] ZINC000574874460 365163678 /nfs/dbraw/zinc/16/36/78/365163678.db2.gz KPXCBBROFADCFO-MWLCHTKSSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000574874461 365163433 /nfs/dbraw/zinc/16/34/33/365163433.db2.gz KPXCBBROFADCFO-ONGXEEELSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH+](C)CCN(C(=O)COC1C[NH2+]C1)C1CC1 ZINC000574874867 365165512 /nfs/dbraw/zinc/16/55/12/365165512.db2.gz SOJGORAHNSGHOB-UHFFFAOYSA-N 2 0 241.335 -0.473 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)C1CCC1 ZINC000574915841 346412738 /nfs/dbraw/zinc/41/27/38/346412738.db2.gz FDUHNRWDEAEJCN-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)C1CCC1 ZINC000574915842 346412680 /nfs/dbraw/zinc/41/26/80/346412680.db2.gz FDUHNRWDEAEJCN-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)C1CCC1 ZINC000574915843 346412785 /nfs/dbraw/zinc/41/27/85/346412785.db2.gz FDUHNRWDEAEJCN-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@H]1C[NH2+]CCO1)C1CCC1 ZINC000574915844 346412902 /nfs/dbraw/zinc/41/29/02/346412902.db2.gz FDUHNRWDEAEJCN-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000574915895 346412943 /nfs/dbraw/zinc/41/29/43/346412943.db2.gz JYCSUUCUWKCBNU-CKYFFXLPSA-N 2 0 243.351 -0.207 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000574915896 346413021 /nfs/dbraw/zinc/41/30/21/346413021.db2.gz JYCSUUCUWKCBNU-JFGNBEQYSA-N 2 0 243.351 -0.207 20 0 BBADRP CN1CCN(C(=O)CCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000574987647 359522826 /nfs/dbraw/zinc/52/28/26/359522826.db2.gz HVMONIJBZPIXIQ-JTQLQIEISA-N 2 0 228.340 -0.783 20 0 BBADRP CN1CCN(C(=O)CCCC[NH3+])[C@H](C[NH3+])C1 ZINC000574987648 359523158 /nfs/dbraw/zinc/52/31/58/359523158.db2.gz HVMONIJBZPIXIQ-SNVBAGLBSA-N 2 0 228.340 -0.783 20 0 BBADRP C[C@H](C[NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000575056897 346459791 /nfs/dbraw/zinc/45/97/91/346459791.db2.gz YSGVLHURHZJFEI-SECBINFHSA-N 2 0 222.292 -0.374 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000575056898 346459450 /nfs/dbraw/zinc/45/94/50/346459450.db2.gz YSGVLHURHZJFEI-VIFPVBQESA-N 2 0 222.292 -0.374 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCC[NH2+]C(C)C ZINC000575057750 365180983 /nfs/dbraw/zinc/18/09/83/365180983.db2.gz KRCOSFUQERALBG-JTQLQIEISA-N 2 0 231.340 -0.146 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCC[NH2+]C(C)C ZINC000575057751 365180510 /nfs/dbraw/zinc/18/05/10/365180510.db2.gz KRCOSFUQERALBG-SNVBAGLBSA-N 2 0 231.340 -0.146 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000575061010 365182725 /nfs/dbraw/zinc/18/27/25/365182725.db2.gz UYBSKXIHVBTQFH-AOOOYVTPSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000575072374 365189504 /nfs/dbraw/zinc/18/95/04/365189504.db2.gz ZFKRXEHSOBFPPX-QWRGUYRKSA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000575072375 365189172 /nfs/dbraw/zinc/18/91/72/365189172.db2.gz ZFKRXEHSOBFPPX-WDEREUQCSA-N 2 0 240.351 -0.900 20 0 BBADRP CN(Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575073668 365188786 /nfs/dbraw/zinc/18/87/86/365188786.db2.gz PMWBEDORQNHZEZ-MYJAWHEDSA-N 2 0 235.291 -0.231 20 0 BBADRP [NH3+]C1(C(=O)NCC2CC[NH2+]CC2)CCC1 ZINC000575121871 345437166 /nfs/dbraw/zinc/43/71/66/345437166.db2.gz LAPWKKSWVGFLDP-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP C[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000575122561 365210938 /nfs/dbraw/zinc/21/09/38/365210938.db2.gz XRFDQFIKKUJURI-GXSJLCMTSA-N 2 0 227.308 -0.828 20 0 BBADRP C[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000575122562 365211039 /nfs/dbraw/zinc/21/10/39/365211039.db2.gz XRFDQFIKKUJURI-KOLCDFICSA-N 2 0 227.308 -0.828 20 0 BBADRP C[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000575122563 365211266 /nfs/dbraw/zinc/21/12/66/365211266.db2.gz XRFDQFIKKUJURI-MWLCHTKSSA-N 2 0 227.308 -0.828 20 0 BBADRP C[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000575122564 365207171 /nfs/dbraw/zinc/20/71/71/365207171.db2.gz XRFDQFIKKUJURI-ONGXEEELSA-N 2 0 227.308 -0.828 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000575124855 365212719 /nfs/dbraw/zinc/21/27/19/365212719.db2.gz KKDQGUNRLWFIQB-SECBINFHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000575124856 365212350 /nfs/dbraw/zinc/21/23/50/365212350.db2.gz KKDQGUNRLWFIQB-VIFPVBQESA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)COC1C[NH2+]C1 ZINC000575179386 365230396 /nfs/dbraw/zinc/23/03/96/365230396.db2.gz XXAABLYAVWSRHP-UHFFFAOYSA-N 2 0 229.324 -0.521 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000575179702 365229698 /nfs/dbraw/zinc/22/96/98/365229698.db2.gz JDZWAFVKCSSLLZ-GHMZBOCLSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000575179703 365230139 /nfs/dbraw/zinc/23/01/39/365230139.db2.gz JDZWAFVKCSSLLZ-MNOVXSKESA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000575179704 365229758 /nfs/dbraw/zinc/22/97/58/365229758.db2.gz JDZWAFVKCSSLLZ-QWRGUYRKSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000575179705 365229650 /nfs/dbraw/zinc/22/96/50/365229650.db2.gz JDZWAFVKCSSLLZ-WDEREUQCSA-N 2 0 243.351 -0.016 20 0 BBADRP CN(CCC[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000575197253 365238452 /nfs/dbraw/zinc/23/84/52/365238452.db2.gz SRWBOZNOXBRFRX-QMMMGPOBSA-N 2 0 200.286 -0.662 20 0 BBADRP [NH3+]C1(CNC(=O)C[NH2+]C[C@@H]2CCCO2)CCC1 ZINC000575300374 365282158 /nfs/dbraw/zinc/28/21/58/365282158.db2.gz PCULOPAGZUDBDQ-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(CNC(=O)C[NH2+]C[C@H]2CCCO2)CCC1 ZINC000575300375 365281551 /nfs/dbraw/zinc/28/15/51/365281551.db2.gz PCULOPAGZUDBDQ-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000575308491 365284110 /nfs/dbraw/zinc/28/41/10/365284110.db2.gz BNGPJVPNGHPVII-DBIOUOCHSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000575308493 365283931 /nfs/dbraw/zinc/28/39/31/365283931.db2.gz BNGPJVPNGHPVII-VLEAKVRGSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000575308494 345330029 /nfs/dbraw/zinc/33/00/29/345330029.db2.gz BNGPJVPNGHPVII-ZDCRXTMVSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000575308495 345329830 /nfs/dbraw/zinc/32/98/30/345329830.db2.gz BNGPJVPNGHPVII-ZNSHCXBVSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000575309659 365283025 /nfs/dbraw/zinc/28/30/25/365283025.db2.gz 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/nfs/dbraw/zinc/29/34/81/365293481.db2.gz MGAXPIOLZTXVDF-VIFPVBQESA-N 2 0 216.329 -0.040 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[NH2+]1 ZINC000575399219 346031312 /nfs/dbraw/zinc/03/13/12/346031312.db2.gz WGQQXAFQCYZNLZ-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575400426 365310306 /nfs/dbraw/zinc/31/03/06/365310306.db2.gz BBOAKMNDSKSGAV-XQHKEYJVSA-N 2 0 245.326 -0.110 20 0 BBADRP CC[NH2+]CCNC(=O)N(C)CCC[NH3+] ZINC000575430563 365320796 /nfs/dbraw/zinc/32/07/96/365320796.db2.gz CIBFYWVPJNXSAS-UHFFFAOYSA-N 2 0 202.302 -0.414 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000575741543 365348372 /nfs/dbraw/zinc/34/83/72/365348372.db2.gz NAQPAMPUVRCXFJ-DTWKUNHWSA-N 2 0 227.308 -0.639 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCN1CCOCC1(C)C ZINC000575745280 365349093 /nfs/dbraw/zinc/34/90/93/365349093.db2.gz KLTOBSVEXVZLCN-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000575747330 365351092 /nfs/dbraw/zinc/35/10/92/365351092.db2.gz PPFSLBKRYWCPSK-JTQLQIEISA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000575747331 365351057 /nfs/dbraw/zinc/35/10/57/365351057.db2.gz PPFSLBKRYWCPSK-SNVBAGLBSA-N 2 0 241.335 -0.438 20 0 BBADRP CC1(C)CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000575748938 365352285 /nfs/dbraw/zinc/35/22/85/365352285.db2.gz SHFUIDKAWBHJFA-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP CC1(C)CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000575748941 365352809 /nfs/dbraw/zinc/35/28/09/365352809.db2.gz SHFUIDKAWBHJFA-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000575750246 365351895 /nfs/dbraw/zinc/35/18/95/365351895.db2.gz QYGLVYRUIPILTF-QEYWKRMJSA-N 2 0 211.309 -0.020 20 0 BBADRP [NH3+][C@H]1C[C@@H]2CN(Cc3ccccn3)CCN2C1=O ZINC000575762657 351013262 /nfs/dbraw/zinc/01/32/62/351013262.db2.gz 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/nfs/dbraw/zinc/36/64/74/365366474.db2.gz HDBSEXHCQSZLMY-WPRPVWTQSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)COC1CC[NH2+]CC1 ZINC000575801408 365366724 /nfs/dbraw/zinc/36/67/24/365366724.db2.gz QVIPGQKGRFCHDA-JTQLQIEISA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)COC1CC[NH2+]CC1 ZINC000575801410 365366488 /nfs/dbraw/zinc/36/64/88/365366488.db2.gz QVIPGQKGRFCHDA-SNVBAGLBSA-N 2 0 243.351 -0.273 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)COC1CC[NH2+]CC1 ZINC000575801952 365368427 /nfs/dbraw/zinc/36/84/27/365368427.db2.gz AGLLDRARWJOUOA-ONGXEEELSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)C1C[NH2+]C1 ZINC000575801959 365367546 /nfs/dbraw/zinc/36/75/46/365367546.db2.gz AXUQNBVDGYXPNV-APPZFPTMSA-N 2 0 247.289 -0.045 20 0 BBADRP C[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)C1C[NH2+]C1 ZINC000575801960 365368484 /nfs/dbraw/zinc/36/84/84/365368484.db2.gz AXUQNBVDGYXPNV-CBAPKCEASA-N 2 0 247.289 -0.045 20 0 BBADRP C[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1C[NH2+]C1 ZINC000575801961 365367908 /nfs/dbraw/zinc/36/79/08/365367908.db2.gz AXUQNBVDGYXPNV-IONNQARKSA-N 2 0 247.289 -0.045 20 0 BBADRP C[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1C[NH2+]C1 ZINC000575801962 365367576 /nfs/dbraw/zinc/36/75/76/365367576.db2.gz AXUQNBVDGYXPNV-VXNVDRBHSA-N 2 0 247.289 -0.045 20 0 BBADRP C[NH2+]CCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000575803893 365367954 /nfs/dbraw/zinc/36/79/54/365367954.db2.gz SNCLNRRNQRQNNV-UHFFFAOYSA-N 3 0 242.367 -0.650 20 0 BBADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[NH2+]1 ZINC000575804196 365369227 /nfs/dbraw/zinc/36/92/27/365369227.db2.gz HYSJHFKTYPUDMQ-MRVPVSSYSA-N 2 0 220.276 -0.072 20 0 BBADRP C[N@@H+]1CCC[C@@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000575806485 365369896 /nfs/dbraw/zinc/36/98/96/365369896.db2.gz NBAQVKCHSPHRTB-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CCC[C@H](CNC(=O)COC2C[NH2+]C2)C1 ZINC000575806486 365369549 /nfs/dbraw/zinc/36/95/49/365369549.db2.gz NBAQVKCHSPHRTB-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC([NH3+])C1 ZINC000575853293 365386241 /nfs/dbraw/zinc/38/62/41/365386241.db2.gz QPRSXOFPEAVZPI-AUXWQGHOSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC([NH3+])C1 ZINC000575853294 365386093 /nfs/dbraw/zinc/38/60/93/365386093.db2.gz QPRSXOFPEAVZPI-NFTFJBJSSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC([NH3+])C1 ZINC000575853295 365385668 /nfs/dbraw/zinc/38/56/68/365385668.db2.gz QPRSXOFPEAVZPI-SEZDTBSWSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC([NH3+])C1 ZINC000575853296 365386225 /nfs/dbraw/zinc/38/62/25/365386225.db2.gz QPRSXOFPEAVZPI-WOOKNIGNSA-N 2 0 211.309 -0.068 20 0 BBADRP C[NH2+]CCC(=O)NCCNc1cc[nH+]cc1 ZINC000575864986 365390813 /nfs/dbraw/zinc/39/08/13/365390813.db2.gz FXSXHECKRUBGHD-UHFFFAOYSA-N 2 0 222.292 -0.359 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000575865562 365391589 /nfs/dbraw/zinc/39/15/89/365391589.db2.gz 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CN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000576029075 365455074 /nfs/dbraw/zinc/45/50/74/365455074.db2.gz PVRADAYGXUSFDW-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)CCOC1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000576029076 365455548 /nfs/dbraw/zinc/45/55/48/365455548.db2.gz PVRADAYGXUSFDW-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000576038834 365458331 /nfs/dbraw/zinc/45/83/31/365458331.db2.gz SCSQADVIIDCHJS-AXFHLTTASA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000576038835 365458160 /nfs/dbraw/zinc/45/81/60/365458160.db2.gz SCSQADVIIDCHJS-DCAQKATOSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000576038836 365458219 /nfs/dbraw/zinc/45/82/19/365458219.db2.gz SCSQADVIIDCHJS-GARJFASQSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000576038837 343699010 /nfs/dbraw/zinc/69/90/10/343699010.db2.gz SCSQADVIIDCHJS-HBNTYKKESA-N 2 0 241.335 -0.521 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN(C)CC(=O)NC(C)(C)C ZINC000576046298 365463126 /nfs/dbraw/zinc/46/31/26/365463126.db2.gz HKBBIDYTEGGRAG-GFCCVEGCSA-N 2 0 245.367 -0.197 20 0 BBADRP C[NH2+]C[C@](C)(O)CN(C)CC(=O)NC(C)(C)C ZINC000576046299 365463259 /nfs/dbraw/zinc/46/32/59/365463259.db2.gz HKBBIDYTEGGRAG-LBPRGKRZSA-N 2 0 245.367 -0.197 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000576099941 365486021 /nfs/dbraw/zinc/48/60/21/365486021.db2.gz KJCCRHVCBUWJBP-UHFFFAOYSA-N 2 0 239.319 -0.599 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000576100662 365482529 /nfs/dbraw/zinc/48/25/29/365482529.db2.gz WMZLHVWADJVEBX-NXEZZACHSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000576100663 365483100 /nfs/dbraw/zinc/48/31/00/365483100.db2.gz WMZLHVWADJVEBX-UWVGGRQHSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000576100664 365482897 /nfs/dbraw/zinc/48/28/97/365482897.db2.gz WMZLHVWADJVEBX-VHSXEESVSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000576100665 365482867 /nfs/dbraw/zinc/48/28/67/365482867.db2.gz WMZLHVWADJVEBX-ZJUUUORDSA-N 2 0 229.324 -0.406 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000576106717 365489089 /nfs/dbraw/zinc/48/90/89/365489089.db2.gz IHISLHGLHYAGIQ-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000576106718 365488909 /nfs/dbraw/zinc/48/89/09/365488909.db2.gz IHISLHGLHYAGIQ-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000576106719 365488363 /nfs/dbraw/zinc/48/83/63/365488363.db2.gz IHISLHGLHYAGIQ-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000576106720 365488163 /nfs/dbraw/zinc/48/81/63/365488163.db2.gz IHISLHGLHYAGIQ-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NCCC[NH2+]C1CC1 ZINC000576109597 365490304 /nfs/dbraw/zinc/49/03/04/365490304.db2.gz XLHAJCFCEMBPMZ-UHFFFAOYSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC(F)(F)CN ZINC000576117642 365492353 /nfs/dbraw/zinc/49/23/53/365492353.db2.gz SYSNSNMKMJNGTM-BQBZGAKWSA-N 2 0 221.251 -0.081 20 0 BBADRP CN(CCC[NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000576123588 365495576 /nfs/dbraw/zinc/49/55/76/365495576.db2.gz RRGBBOAZRHRZKN-UHFFFAOYSA-N 2 0 202.302 -0.286 20 0 BBADRP [NH3+]C1CCC(OCC(=O)N2CC[NH2+]CC2)CC1 ZINC000576154049 365502672 /nfs/dbraw/zinc/50/26/72/365502672.db2.gz XLIGFNZHPWFMMT-UHFFFAOYSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+]CC1 ZINC000576157698 365502800 /nfs/dbraw/zinc/50/28/00/365502800.db2.gz JKBOYQNAHCTITG-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH2+]CC1 ZINC000576157699 365503211 /nfs/dbraw/zinc/50/32/11/365503211.db2.gz JKBOYQNAHCTITG-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+]CC1 ZINC000576157700 365502986 /nfs/dbraw/zinc/50/29/86/365502986.db2.gz JKBOYQNAHCTITG-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH2+]CC1 ZINC000576157701 365503543 /nfs/dbraw/zinc/50/35/43/365503543.db2.gz JKBOYQNAHCTITG-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CC[NH3+])C1(C)C ZINC000576159339 365504415 /nfs/dbraw/zinc/50/44/15/365504415.db2.gz VYXRXSDIXYYMNC-BXKDBHETSA-N 2 0 243.351 -0.064 20 0 BBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)CC[NH3+])C1(C)C ZINC000576159340 365504381 /nfs/dbraw/zinc/50/43/81/365504381.db2.gz VYXRXSDIXYYMNC-CABZTGNLSA-N 2 0 243.351 -0.064 20 0 BBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)CC[NH3+])C1(C)C ZINC000576159341 365497693 /nfs/dbraw/zinc/49/76/93/365497693.db2.gz VYXRXSDIXYYMNC-JOYOIKCWSA-N 2 0 243.351 -0.064 20 0 BBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)CC[NH3+])C1(C)C ZINC000576159342 365496884 /nfs/dbraw/zinc/49/68/84/365496884.db2.gz VYXRXSDIXYYMNC-SKDRFNHKSA-N 2 0 243.351 -0.064 20 0 BBADRP [NH3+]CCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000576160682 365504890 /nfs/dbraw/zinc/50/48/90/365504890.db2.gz URGXSDCGKYNIFI-MNOVXSKESA-N 2 0 213.325 -0.227 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000576171335 365509113 /nfs/dbraw/zinc/50/91/13/365509113.db2.gz LAYXZNUPTAQVDO-PSASIEDQSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000576171336 365509101 /nfs/dbraw/zinc/50/91/01/365509101.db2.gz LAYXZNUPTAQVDO-SCZZXKLOSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000576171337 365509137 /nfs/dbraw/zinc/50/91/37/365509137.db2.gz LAYXZNUPTAQVDO-WCBMZHEXSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000576171338 365508869 /nfs/dbraw/zinc/50/88/69/365508869.db2.gz LAYXZNUPTAQVDO-WPRPVWTQSA-N 2 0 211.309 -0.053 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN(CC(N)=O)CC(C)C ZINC000576217363 365524853 /nfs/dbraw/zinc/52/48/53/365524853.db2.gz RKGBFAJQMLMZDN-LLVKDONJSA-N 2 0 245.367 -0.258 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN(CC(N)=O)CC(C)C ZINC000576217364 365524919 /nfs/dbraw/zinc/52/49/19/365524919.db2.gz RKGBFAJQMLMZDN-NSHDSACASA-N 2 0 245.367 -0.258 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000576225453 365528424 /nfs/dbraw/zinc/52/84/24/365528424.db2.gz MXLNIBHIUMJXOK-BDAKNGLRSA-N 2 0 245.323 -0.490 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000576225454 365528544 /nfs/dbraw/zinc/52/85/44/365528544.db2.gz MXLNIBHIUMJXOK-IUCAKERBSA-N 2 0 245.323 -0.490 20 0 BBADRP O=C(COC1C[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000576225493 365528874 /nfs/dbraw/zinc/52/88/74/365528874.db2.gz PPICXLDIUDQTQL-SECBINFHSA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(COC1C[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000576225494 365528480 /nfs/dbraw/zinc/52/84/80/365528480.db2.gz PPICXLDIUDQTQL-VIFPVBQESA-N 2 0 227.308 -0.909 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000576225541 365528768 /nfs/dbraw/zinc/52/87/68/365528768.db2.gz SHJRXJHXGBPZLG-CMPLNLGQSA-N 2 0 243.351 -0.416 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000576225542 365528443 /nfs/dbraw/zinc/52/84/43/365528443.db2.gz SHJRXJHXGBPZLG-JQWIXIFHSA-N 2 0 243.351 -0.416 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000576225543 365529218 /nfs/dbraw/zinc/52/92/18/365529218.db2.gz SHJRXJHXGBPZLG-PWSUYJOCSA-N 2 0 243.351 -0.416 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000576225544 365528616 /nfs/dbraw/zinc/52/86/16/365528616.db2.gz SHJRXJHXGBPZLG-ZYHUDNBSSA-N 2 0 243.351 -0.416 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)COC1C[NH2+]C1 ZINC000576228922 365530825 /nfs/dbraw/zinc/53/08/25/365530825.db2.gz HCANJJUTZGTCOB-HTQZYQBOSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000576228923 365531563 /nfs/dbraw/zinc/53/15/63/365531563.db2.gz HCANJJUTZGTCOB-JGVFFNPUSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)COC1C[NH2+]C1 ZINC000576228924 365531068 /nfs/dbraw/zinc/53/10/68/365531068.db2.gz HCANJJUTZGTCOB-SFYZADRCSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)COC1C[NH2+]C1 ZINC000576228925 365530703 /nfs/dbraw/zinc/53/07/03/365530703.db2.gz HCANJJUTZGTCOB-YUMQZZPRSA-N 2 0 215.297 -0.783 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[NH2+][C@@H](C)C1 ZINC000576233059 365532548 /nfs/dbraw/zinc/53/25/48/365532548.db2.gz KFYGSLOGKYCXCF-UWVGGRQHSA-N 2 0 201.314 -0.750 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH2+][C@@H](C)C1 ZINC000576233060 365532976 /nfs/dbraw/zinc/53/29/76/365532976.db2.gz KFYGSLOGKYCXCF-VHSXEESVSA-N 2 0 201.314 -0.750 20 0 BBADRP [NH3+]C1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC1 ZINC000576277649 365546828 /nfs/dbraw/zinc/54/68/28/365546828.db2.gz LOQROHATNNRLTE-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]C1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC1 ZINC000576277650 365546393 /nfs/dbraw/zinc/54/63/93/365546393.db2.gz LOQROHATNNRLTE-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP CC[NH2+]CCCNC(=O)COC1CC[NH2+]CC1 ZINC000576278024 365546697 /nfs/dbraw/zinc/54/66/97/365546697.db2.gz APWNXLVWUUDPTF-UHFFFAOYSA-N 2 0 243.351 -0.129 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000576278088 365547528 /nfs/dbraw/zinc/54/75/28/365547528.db2.gz HFWCDLFMBJDNCQ-QMMMGPOBSA-N 2 0 245.323 -0.490 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)CCOC1C[NH2+]C1 ZINC000576344388 365572391 /nfs/dbraw/zinc/57/23/91/365572391.db2.gz LADXIDMRSTVQAE-SECBINFHSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)CCOC1C[NH2+]C1 ZINC000576344389 365571726 /nfs/dbraw/zinc/57/17/26/365571726.db2.gz LADXIDMRSTVQAE-VIFPVBQESA-N 2 0 229.324 -0.663 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000576345645 365572418 /nfs/dbraw/zinc/57/24/18/365572418.db2.gz WTIMWMUWWRBGDW-AEJSXWLSSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000576345653 365572045 /nfs/dbraw/zinc/57/20/45/365572045.db2.gz WTIMWMUWWRBGDW-GUBZILKMSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000576345655 365571464 /nfs/dbraw/zinc/57/14/64/365571464.db2.gz WTIMWMUWWRBGDW-IVZWLZJFSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000576345656 365570916 /nfs/dbraw/zinc/57/09/16/365570916.db2.gz WTIMWMUWWRBGDW-LPEHRKFASA-N 2 0 227.308 -0.830 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000576347004 365573550 /nfs/dbraw/zinc/57/35/50/365573550.db2.gz GCGXUQWDHSYGFH-BDAKNGLRSA-N 2 0 243.307 -0.913 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000576347005 365573584 /nfs/dbraw/zinc/57/35/84/365573584.db2.gz GCGXUQWDHSYGFH-RKDXNWHRSA-N 2 0 243.307 -0.913 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000576347313 365573523 /nfs/dbraw/zinc/57/35/23/365573523.db2.gz ZPNYNPAOHTYYRV-LLVKDONJSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)COC1C[NH2+]C1 ZINC000576347314 365573952 /nfs/dbraw/zinc/57/39/52/365573952.db2.gz ZPNYNPAOHTYYRV-NSHDSACASA-N 2 0 229.324 -0.536 20 0 BBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000576389299 365582749 /nfs/dbraw/zinc/58/27/49/365582749.db2.gz FZKPXVPYMXSAEY-JTQLQIEISA-N 2 0 241.335 -0.295 20 0 BBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000576389300 365582462 /nfs/dbraw/zinc/58/24/62/365582462.db2.gz FZKPXVPYMXSAEY-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000576389374 365582455 /nfs/dbraw/zinc/58/24/55/365582455.db2.gz MOJHIWLZEFBQSR-AATLWQCWSA-N 2 0 227.308 -0.689 20 0 BBADRP CN(C(=O)COC1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000576397709 365585821 /nfs/dbraw/zinc/58/58/21/365585821.db2.gz FSUGVKKOZYRZJT-UHFFFAOYSA-N 2 0 227.308 -0.815 20 0 BBADRP [NH3+]CC1(CC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000576397843 365585617 /nfs/dbraw/zinc/58/56/17/365585617.db2.gz UIOTWUOPDIJFQK-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000576399518 365585899 /nfs/dbraw/zinc/58/58/99/365585899.db2.gz MXKYPIBCAZKDEU-DTWKUNHWSA-N 2 0 229.324 -0.848 20 0 BBADRP C[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000576399560 365586028 /nfs/dbraw/zinc/58/60/28/365586028.db2.gz VGCPACOVTOKDLD-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)CCC[NH3+] ZINC000576412458 365591258 /nfs/dbraw/zinc/59/12/58/365591258.db2.gz ULTJHBMSNVLXHG-VIFPVBQESA-N 2 0 216.329 -0.073 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)COC1CC[NH2+]CC1 ZINC000576462833 365602348 /nfs/dbraw/zinc/60/23/48/365602348.db2.gz ATGOQEOIMMQLGC-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000576466222 365603743 /nfs/dbraw/zinc/60/37/43/365603743.db2.gz ITQCKMQTAYCPOO-AXTSPUMRSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000576466227 365603844 /nfs/dbraw/zinc/60/38/44/365603844.db2.gz ITQCKMQTAYCPOO-DOLQZWNJSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000576466228 365603620 /nfs/dbraw/zinc/60/36/20/365603620.db2.gz ITQCKMQTAYCPOO-IMSYWVGJSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000576466229 365603654 /nfs/dbraw/zinc/60/36/54/365603654.db2.gz ITQCKMQTAYCPOO-QEYWKRMJSA-N 2 0 211.309 -0.033 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000576478727 343751841 /nfs/dbraw/zinc/75/18/41/343751841.db2.gz AAKJGLBTRHQMEQ-JTQLQIEISA-N 2 0 228.340 -0.994 20 0 BBADRP CN(CCC[NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000576479458 365607145 /nfs/dbraw/zinc/60/71/45/365607145.db2.gz GGIHNYOFKKGIKK-BRPSZJMVSA-N 2 0 212.297 -0.806 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000576508596 365612502 /nfs/dbraw/zinc/61/25/02/365612502.db2.gz OIFXTSBFCHJTHH-KKZNHRDASA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC2(C[NH3+])CCCC2)O1 ZINC000576519232 365615948 /nfs/dbraw/zinc/61/59/48/365615948.db2.gz DIRXZGIZKJEJRB-ZJUUUORDSA-N 2 0 241.335 -0.120 20 0 BBADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[NH2+]1 ZINC000576519711 365616599 /nfs/dbraw/zinc/61/65/99/365616599.db2.gz HYSJHFKTYPUDMQ-QMMMGPOBSA-N 2 0 220.276 -0.072 20 0 BBADRP C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000576599344 365636621 /nfs/dbraw/zinc/63/66/21/365636621.db2.gz IJRDSQCYDLJZTN-AXFHLTTASA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000576599353 365636037 /nfs/dbraw/zinc/63/60/37/365636037.db2.gz IJRDSQCYDLJZTN-DCAQKATOSA-N 2 0 240.351 -0.025 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC(C)(C)CC[NH3+] ZINC000576628199 365642622 /nfs/dbraw/zinc/64/26/22/365642622.db2.gz RGCMPNGNGQYBRO-SSDOTTSWSA-N 2 0 203.286 -0.796 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC(C)(C)CC[NH3+] ZINC000576628205 365642418 /nfs/dbraw/zinc/64/24/18/365642418.db2.gz RGCMPNGNGQYBRO-ZETCQYMHSA-N 2 0 203.286 -0.796 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)CCOC1C[NH2+]C1 ZINC000576696483 365659933 /nfs/dbraw/zinc/65/99/33/365659933.db2.gz SIAKXZAPESTIDY-SECBINFHSA-N 2 0 229.324 -0.521 20 0 BBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000576701485 365662642 /nfs/dbraw/zinc/66/26/42/365662642.db2.gz DMNUZWYGWCHJNW-LLVKDONJSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000576701487 365663420 /nfs/dbraw/zinc/66/34/20/365663420.db2.gz DMNUZWYGWCHJNW-NSHDSACASA-N 2 0 241.335 -0.295 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000576701569 365663027 /nfs/dbraw/zinc/66/30/27/365663027.db2.gz ITTZUVQSLTTXAN-HRDYMLBCSA-N 2 0 243.307 -0.867 20 0 BBADRP CN(C(=O)[C@H]([NH3+])C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000576702480 365663073 /nfs/dbraw/zinc/66/30/73/365663073.db2.gz YHXDJSLZFODEDN-NXEZZACHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)[C@@H]([NH3+])C1CCC1)[C@H]1CC[NH2+]C1 ZINC000576702481 365662974 /nfs/dbraw/zinc/66/29/74/365662974.db2.gz YHXDJSLZFODEDN-UWVGGRQHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)[C@H]([NH3+])C1CCC1)[C@H]1CC[NH2+]C1 ZINC000576702482 365663232 /nfs/dbraw/zinc/66/32/32/365663232.db2.gz YHXDJSLZFODEDN-VHSXEESVSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)[C@@H]([NH3+])C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000576702483 365662617 /nfs/dbraw/zinc/66/26/17/365662617.db2.gz YHXDJSLZFODEDN-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000576718778 365670431 /nfs/dbraw/zinc/67/04/31/365670431.db2.gz HUCRMTIMAMILAM-IUCAKERBSA-N 2 0 214.313 -0.402 20 0 BBADRP [NH3+]C[C@@H](NC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000576753216 365677007 /nfs/dbraw/zinc/67/70/07/365677007.db2.gz DKOAEXYCKVDGSO-LLVKDONJSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H](NC(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000576753217 365676908 /nfs/dbraw/zinc/67/69/08/365676908.db2.gz DKOAEXYCKVDGSO-NSHDSACASA-N 2 0 241.335 -0.392 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC(C[NH3+])CC1 ZINC000576753268 365676705 /nfs/dbraw/zinc/67/67/05/365676705.db2.gz FLSYPXMJGKOELM-UHFFFAOYSA-N 2 0 229.324 -0.580 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000576754198 365676693 /nfs/dbraw/zinc/67/66/93/365676693.db2.gz FNIRUTHAMGRXKX-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000576754199 365677116 /nfs/dbraw/zinc/67/71/16/365677116.db2.gz FNIRUTHAMGRXKX-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000576754200 365676800 /nfs/dbraw/zinc/67/68/00/365676800.db2.gz FNIRUTHAMGRXKX-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000576754201 365677051 /nfs/dbraw/zinc/67/70/51/365677051.db2.gz FNIRUTHAMGRXKX-HBNTYKKESA-N 2 0 241.335 -0.439 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000576755525 365678089 /nfs/dbraw/zinc/67/80/89/365678089.db2.gz OLCNPCBFRGJXHL-GHMZBOCLSA-N 2 0 212.341 -0.768 20 0 BBADRP CN1CC[NH2+]C[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000576755526 365677725 /nfs/dbraw/zinc/67/77/25/365677725.db2.gz OLCNPCBFRGJXHL-MNOVXSKESA-N 2 0 212.341 -0.768 20 0 BBADRP CN1CC[NH2+]C[C@H]1CN[C@H]1CCC[NH2+]C1 ZINC000576755527 365678401 /nfs/dbraw/zinc/67/84/01/365678401.db2.gz OLCNPCBFRGJXHL-QWRGUYRKSA-N 2 0 212.341 -0.768 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CN[C@H]1CCC[NH2+]C1 ZINC000576755528 365678472 /nfs/dbraw/zinc/67/84/72/365678472.db2.gz OLCNPCBFRGJXHL-WDEREUQCSA-N 2 0 212.341 -0.768 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000576756188 365678422 /nfs/dbraw/zinc/67/84/22/365678422.db2.gz GKFVVKIFSNREKG-AATLWQCWSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000576756189 365678208 /nfs/dbraw/zinc/67/82/08/365678208.db2.gz GKFVVKIFSNREKG-KYXWUPHJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000576756190 365678494 /nfs/dbraw/zinc/67/84/94/365678494.db2.gz GKFVVKIFSNREKG-QCLAVDOMSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000576756191 365678220 /nfs/dbraw/zinc/67/82/20/365678220.db2.gz GKFVVKIFSNREKG-RGOKHQFPSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000576756437 365678256 /nfs/dbraw/zinc/67/82/56/365678256.db2.gz KLSCYDRWYUNZOR-AATLWQCWSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000576756438 365677795 /nfs/dbraw/zinc/67/77/95/365677795.db2.gz KLSCYDRWYUNZOR-KYXWUPHJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000576756439 365678309 /nfs/dbraw/zinc/67/83/09/365678309.db2.gz KLSCYDRWYUNZOR-QCLAVDOMSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000576756440 365678416 /nfs/dbraw/zinc/67/84/16/365678416.db2.gz KLSCYDRWYUNZOR-RGOKHQFPSA-N 2 0 211.309 -0.081 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000576822127 388506670 /nfs/dbraw/zinc/50/66/70/388506670.db2.gz PHPAVEADSYQXAX-LLVKDONJSA-N 2 0 242.367 -0.604 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000576822131 388507038 /nfs/dbraw/zinc/50/70/38/388507038.db2.gz PHPAVEADSYQXAX-NSHDSACASA-N 2 0 242.367 -0.604 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000576822271 365694207 /nfs/dbraw/zinc/69/42/07/365694207.db2.gz FHNUOCBYAPDZQE-PSASIEDQSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000576822272 365694862 /nfs/dbraw/zinc/69/48/62/365694862.db2.gz FHNUOCBYAPDZQE-SCZZXKLOSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000576822273 365694445 /nfs/dbraw/zinc/69/44/45/365694445.db2.gz FHNUOCBYAPDZQE-WCBMZHEXSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000576822274 365694759 /nfs/dbraw/zinc/69/47/59/365694759.db2.gz FHNUOCBYAPDZQE-WPRPVWTQSA-N 2 0 227.308 -0.769 20 0 BBADRP C[NH2+]CCC1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000576822421 388507228 /nfs/dbraw/zinc/50/72/28/388507228.db2.gz TYZDWJXVMBJJJM-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000576822473 365694878 /nfs/dbraw/zinc/69/48/78/365694878.db2.gz XAVYOQWSELSMBN-LLVKDONJSA-N 2 0 229.324 -0.662 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000576822474 365695075 /nfs/dbraw/zinc/69/50/75/365695075.db2.gz XAVYOQWSELSMBN-NSHDSACASA-N 2 0 229.324 -0.662 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000576825041 365695839 /nfs/dbraw/zinc/69/58/39/365695839.db2.gz JGCBXARGCMFMNN-AXFHLTTASA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000576825043 365695590 /nfs/dbraw/zinc/69/55/90/365695590.db2.gz JGCBXARGCMFMNN-DCAQKATOSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000576825045 365696265 /nfs/dbraw/zinc/69/62/65/365696265.db2.gz JGCBXARGCMFMNN-GARJFASQSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000576825048 365692688 /nfs/dbraw/zinc/69/26/88/365692688.db2.gz JGCBXARGCMFMNN-HBNTYKKESA-N 2 0 241.335 -0.426 20 0 BBADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000576830100 365697600 /nfs/dbraw/zinc/69/76/00/365697600.db2.gz PQZQWLZOOVMKEB-GXSJLCMTSA-N 2 0 231.340 -0.729 20 0 BBADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000576830101 365696997 /nfs/dbraw/zinc/69/69/97/365696997.db2.gz PQZQWLZOOVMKEB-KOLCDFICSA-N 2 0 231.340 -0.729 20 0 BBADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000576830102 365697274 /nfs/dbraw/zinc/69/72/74/365697274.db2.gz PQZQWLZOOVMKEB-MWLCHTKSSA-N 2 0 231.340 -0.729 20 0 BBADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000576830103 365696966 /nfs/dbraw/zinc/69/69/66/365696966.db2.gz PQZQWLZOOVMKEB-ONGXEEELSA-N 2 0 231.340 -0.729 20 0 BBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000576833391 365698959 /nfs/dbraw/zinc/69/89/59/365698959.db2.gz QBZGKTMWZGNVKE-MNOVXSKESA-N 2 0 241.335 -0.439 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000576863198 365706645 /nfs/dbraw/zinc/70/66/45/365706645.db2.gz IEJRFZOGEKFXMW-NXEZZACHSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000576863205 365707431 /nfs/dbraw/zinc/70/74/31/365707431.db2.gz IEJRFZOGEKFXMW-UWVGGRQHSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC000576863206 365707310 /nfs/dbraw/zinc/70/73/10/365707310.db2.gz IEJRFZOGEKFXMW-VHSXEESVSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000576863207 365707610 /nfs/dbraw/zinc/70/76/10/365707610.db2.gz IEJRFZOGEKFXMW-ZJUUUORDSA-N 2 0 243.351 -0.146 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000576872582 365709956 /nfs/dbraw/zinc/70/99/56/365709956.db2.gz LFZFCKKWADTVGG-NXEZZACHSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000576872583 365709846 /nfs/dbraw/zinc/70/98/46/365709846.db2.gz LFZFCKKWADTVGG-UWVGGRQHSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000576872585 365710070 /nfs/dbraw/zinc/71/00/70/365710070.db2.gz LFZFCKKWADTVGG-VHSXEESVSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000576872587 365709574 /nfs/dbraw/zinc/70/95/74/365709574.db2.gz LFZFCKKWADTVGG-ZJUUUORDSA-N 2 0 229.324 -0.663 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COC[C@H]1OC ZINC000576875036 365710250 /nfs/dbraw/zinc/71/02/50/365710250.db2.gz HLSUTAXVZXDUHQ-GMTAPVOTSA-N 2 0 232.324 -0.256 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COC[C@H]1OC ZINC000576875041 365710141 /nfs/dbraw/zinc/71/01/41/365710141.db2.gz HLSUTAXVZXDUHQ-HBNTYKKESA-N 2 0 232.324 -0.256 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576887171 398242922 /nfs/dbraw/zinc/24/29/22/398242922.db2.gz SHWQEDQPSPPQGS-AEJSXWLSSA-N 2 0 211.309 -0.053 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000576888261 388508527 /nfs/dbraw/zinc/50/85/27/388508527.db2.gz KGDFJBKKJVDINA-YUMQZZPRSA-N 2 0 200.286 -0.615 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000576941567 365726519 /nfs/dbraw/zinc/72/65/19/365726519.db2.gz JXEYRNQBSBESEH-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]C1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC1 ZINC000576941570 365726599 /nfs/dbraw/zinc/72/65/99/365726599.db2.gz JXEYRNQBSBESEH-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000576941793 365726198 /nfs/dbraw/zinc/72/61/98/365726198.db2.gz QZERYHJXPJPNAO-UHFFFAOYSA-N 2 0 249.318 -0.222 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000576941836 365727774 /nfs/dbraw/zinc/72/77/74/365727774.db2.gz RTUXGZLCTOHUCJ-KOLCDFICSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000576941839 365728377 /nfs/dbraw/zinc/72/83/77/365728377.db2.gz RTUXGZLCTOHUCJ-MWLCHTKSSA-N 2 0 229.324 -0.392 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])O1 ZINC000576941926 365728075 /nfs/dbraw/zinc/72/80/75/365728075.db2.gz ZACQAHVCDUUSBO-AXFHLTTASA-N 2 0 241.335 -0.168 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH3+])O1 ZINC000576941927 365728272 /nfs/dbraw/zinc/72/82/72/365728272.db2.gz ZACQAHVCDUUSBO-MXWKQRLJSA-N 2 0 241.335 -0.168 20 0 BBADRP [NH3+][C@H](C(=O)N[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000576942069 365727759 /nfs/dbraw/zinc/72/77/59/365727759.db2.gz WDBHBLPWFKUEDH-QWRGUYRKSA-N 2 0 241.335 -0.392 20 0 BBADRP COCC[NH2+]CC(=O)NCCC[NH2+]C1CC1 ZINC000576944976 365728238 /nfs/dbraw/zinc/72/82/38/365728238.db2.gz NVIAOCSNQICFPP-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000576986489 365744107 /nfs/dbraw/zinc/74/41/07/365744107.db2.gz QEKSCAGLRBFKKY-SECBINFHSA-N 2 0 245.323 -0.617 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000576986491 365744580 /nfs/dbraw/zinc/74/45/80/365744580.db2.gz QEKSCAGLRBFKKY-VIFPVBQESA-N 2 0 245.323 -0.617 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000576998339 365749348 /nfs/dbraw/zinc/74/93/48/365749348.db2.gz KZIDRBRSSFHNGJ-CMPLNLGQSA-N 2 0 243.351 -0.456 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000576998342 365748590 /nfs/dbraw/zinc/74/85/90/365748590.db2.gz KZIDRBRSSFHNGJ-JQWIXIFHSA-N 2 0 243.351 -0.456 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000576998343 365748654 /nfs/dbraw/zinc/74/86/54/365748654.db2.gz KZIDRBRSSFHNGJ-PWSUYJOCSA-N 2 0 243.351 -0.456 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000576998344 365749400 /nfs/dbraw/zinc/74/94/00/365749400.db2.gz KZIDRBRSSFHNGJ-ZYHUDNBSSA-N 2 0 243.351 -0.456 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000577061394 365799251 /nfs/dbraw/zinc/79/92/51/365799251.db2.gz MPYRQXSQVNQWCI-SECBINFHSA-N 2 0 229.324 -0.521 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000577061395 365799202 /nfs/dbraw/zinc/79/92/02/365799202.db2.gz MPYRQXSQVNQWCI-VIFPVBQESA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000577063331 365799835 /nfs/dbraw/zinc/79/98/35/365799835.db2.gz KYZMBQPXDDMJSR-AXTSPUMRSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000577063332 365799893 /nfs/dbraw/zinc/79/98/93/365799893.db2.gz KYZMBQPXDDMJSR-DOLQZWNJSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000577063333 365800693 /nfs/dbraw/zinc/80/06/93/365800693.db2.gz KYZMBQPXDDMJSR-IMSYWVGJSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000577063334 365799670 /nfs/dbraw/zinc/79/96/70/365799670.db2.gz KYZMBQPXDDMJSR-QEYWKRMJSA-N 2 0 211.309 -0.020 20 0 BBADRP COC[C@H](C)C[NH2+]CCN1CC[NH2+]CC1 ZINC000577078712 365808004 /nfs/dbraw/zinc/80/80/04/365808004.db2.gz LQSPAEUEZLVFBW-LLVKDONJSA-N 2 0 215.341 -0.236 20 0 BBADRP COC[C@@H](C)C[NH2+]CCN1CC[NH2+]CC1 ZINC000577078713 365807615 /nfs/dbraw/zinc/80/76/15/365807615.db2.gz LQSPAEUEZLVFBW-NSHDSACASA-N 2 0 215.341 -0.236 20 0 BBADRP CC1(C(=O)N2CCCO[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000577105294 365817272 /nfs/dbraw/zinc/81/72/72/365817272.db2.gz GQEKJQBVSUPZDZ-SECBINFHSA-N 2 0 227.308 -0.828 20 0 BBADRP CC1(C(=O)N2CCCO[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000577105313 365817957 /nfs/dbraw/zinc/81/79/57/365817957.db2.gz GQEKJQBVSUPZDZ-VIFPVBQESA-N 2 0 227.308 -0.828 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000577106769 365816980 /nfs/dbraw/zinc/81/69/80/365816980.db2.gz INKNYJCPZCREBI-BDAKNGLRSA-N 2 0 231.365 -0.065 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000577106791 365812037 /nfs/dbraw/zinc/81/20/37/365812037.db2.gz INKNYJCPZCREBI-DTWKUNHWSA-N 2 0 231.365 -0.065 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000577106795 365812541 /nfs/dbraw/zinc/81/25/41/365812541.db2.gz INKNYJCPZCREBI-IUCAKERBSA-N 2 0 231.365 -0.065 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000577106797 365812266 /nfs/dbraw/zinc/81/22/66/365812266.db2.gz INKNYJCPZCREBI-RKDXNWHRSA-N 2 0 231.365 -0.065 20 0 BBADRP C[C@@H](F)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000577172123 365854255 /nfs/dbraw/zinc/85/42/55/365854255.db2.gz JGNRGIIZHJCNST-NEPJUHHUSA-N 2 0 247.358 -0.068 20 0 BBADRP C[C@H](F)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000577172124 365854084 /nfs/dbraw/zinc/85/40/84/365854084.db2.gz JGNRGIIZHJCNST-NWDGAFQWSA-N 2 0 247.358 -0.068 20 0 BBADRP C[C@H](F)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000577172125 365854614 /nfs/dbraw/zinc/85/46/14/365854614.db2.gz JGNRGIIZHJCNST-RYUDHWBXSA-N 2 0 247.358 -0.068 20 0 BBADRP C[C@@H](F)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000577172126 365853680 /nfs/dbraw/zinc/85/36/80/365853680.db2.gz JGNRGIIZHJCNST-VXGBXAGGSA-N 2 0 247.358 -0.068 20 0 BBADRP COC[C@@]1(C(=O)NCC[C@H](C)[NH3+])CC[NH2+]C1 ZINC000577176359 365859192 /nfs/dbraw/zinc/85/91/92/365859192.db2.gz MSMHRLPVLFMKQX-GXSJLCMTSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@]1(C(=O)NCC[C@H](C)[NH3+])CC[NH2+]C1 ZINC000577176366 365859034 /nfs/dbraw/zinc/85/90/34/365859034.db2.gz MSMHRLPVLFMKQX-ONGXEEELSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577177031 343903532 /nfs/dbraw/zinc/90/35/32/343903532.db2.gz ABVKZLGFWINQJP-GARJFASQSA-N 2 0 241.335 -0.536 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577177034 343903448 /nfs/dbraw/zinc/90/34/48/343903448.db2.gz ABVKZLGFWINQJP-HBNTYKKESA-N 2 0 241.335 -0.536 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000577192336 365870106 /nfs/dbraw/zinc/87/01/06/365870106.db2.gz FLFIYQTXGRRWME-JTQLQIEISA-N 2 0 224.308 -0.433 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)c1ccnc(C[NH3+])c1 ZINC000577219928 343931466 /nfs/dbraw/zinc/93/14/66/343931466.db2.gz NMCFGYXSCKUGHS-MRVPVSSYSA-N 2 0 222.292 -0.135 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)c1ccnc(C[NH3+])c1 ZINC000577219929 343931497 /nfs/dbraw/zinc/93/14/97/343931497.db2.gz NMCFGYXSCKUGHS-QMMMGPOBSA-N 2 0 222.292 -0.135 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000577219964 365887625 /nfs/dbraw/zinc/88/76/25/365887625.db2.gz RTUXGZLCTOHUCJ-GXSJLCMTSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000577219965 365888438 /nfs/dbraw/zinc/88/84/38/365888438.db2.gz RTUXGZLCTOHUCJ-ONGXEEELSA-N 2 0 229.324 -0.392 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000577278693 365914417 /nfs/dbraw/zinc/91/44/17/365914417.db2.gz IGUFAWVOECJVHU-LLVKDONJSA-N 2 0 229.324 -0.662 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000577278694 344482433 /nfs/dbraw/zinc/48/24/33/344482433.db2.gz IGUFAWVOECJVHU-NSHDSACASA-N 2 0 229.324 -0.662 20 0 BBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000577282874 365916951 /nfs/dbraw/zinc/91/69/51/365916951.db2.gz AZHDOWLABIPAOQ-GARJFASQSA-N 2 0 241.335 -0.833 20 0 BBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000577282875 365917617 /nfs/dbraw/zinc/91/76/17/365917617.db2.gz AZHDOWLABIPAOQ-OUAUKWLOSA-N 2 0 241.335 -0.833 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000577364832 365933822 /nfs/dbraw/zinc/93/38/22/365933822.db2.gz CRCKYFBOXORMJM-KKZNHRDASA-N 2 0 211.309 -0.147 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCC(O)(C[NH3+])CC1 ZINC000577370926 365936470 /nfs/dbraw/zinc/93/64/70/365936470.db2.gz JFKASMDESFIHEP-UHFFFAOYSA-N 2 0 243.351 -0.360 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000577371782 365936615 /nfs/dbraw/zinc/93/66/15/365936615.db2.gz MESISYTUXBLPKS-HOSYDEDBSA-N 2 0 225.336 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000577371783 365932874 /nfs/dbraw/zinc/93/28/74/365932874.db2.gz MESISYTUXBLPKS-JBLDHEPKSA-N 2 0 225.336 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000577371784 365932487 /nfs/dbraw/zinc/93/24/87/365932487.db2.gz MESISYTUXBLPKS-NHCYSSNCSA-N 2 0 225.336 -0.042 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000577371785 365932973 /nfs/dbraw/zinc/93/29/73/365932973.db2.gz MESISYTUXBLPKS-UMNHJUIQSA-N 2 0 225.336 -0.042 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000577393933 365943993 /nfs/dbraw/zinc/94/39/93/365943993.db2.gz BYRNVXMFCXNJQR-KXUCPTDWSA-N 2 0 229.299 -0.116 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000577393934 365944338 /nfs/dbraw/zinc/94/43/38/365944338.db2.gz BYRNVXMFCXNJQR-LPEHRKFASA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)COC1C[NH2+]C1 ZINC000577393960 365944391 /nfs/dbraw/zinc/94/43/91/365944391.db2.gz FTWVXPZFAKROSZ-BDAKNGLRSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)COC1C[NH2+]C1 ZINC000577393961 365944398 /nfs/dbraw/zinc/94/43/98/365944398.db2.gz FTWVXPZFAKROSZ-DTWKUNHWSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)COC1C[NH2+]C1 ZINC000577393962 365943936 /nfs/dbraw/zinc/94/39/36/365943936.db2.gz FTWVXPZFAKROSZ-IUCAKERBSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)COC1C[NH2+]C1 ZINC000577393963 365944526 /nfs/dbraw/zinc/94/45/26/365944526.db2.gz FTWVXPZFAKROSZ-RKDXNWHRSA-N 2 0 227.308 -0.830 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000577411279 365949961 /nfs/dbraw/zinc/94/99/61/365949961.db2.gz JHUJGQLEJOSZJZ-AEJSXWLSSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000577411284 365950587 /nfs/dbraw/zinc/95/05/87/365950587.db2.gz JHUJGQLEJOSZJZ-BBBLOLIVSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000577411286 365950201 /nfs/dbraw/zinc/95/02/01/365950201.db2.gz JHUJGQLEJOSZJZ-GUBZILKMSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000577411288 365949944 /nfs/dbraw/zinc/94/99/44/365949944.db2.gz JHUJGQLEJOSZJZ-UTLUCORTSA-N 2 0 226.324 -0.225 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000577483873 365965515 /nfs/dbraw/zinc/96/55/15/365965515.db2.gz CDUGDPLATNEDRN-AEJSXWLSSA-N 2 0 227.308 -0.830 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000577483876 365964939 /nfs/dbraw/zinc/96/49/39/365964939.db2.gz CDUGDPLATNEDRN-IVZWLZJFSA-N 2 0 227.308 -0.830 20 0 BBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC2)CC1 ZINC000577484827 365965958 /nfs/dbraw/zinc/96/59/58/365965958.db2.gz MIJDYEXHTACYRF-GFCCVEGCSA-N 2 0 227.352 -0.263 20 0 BBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCC2)CC1 ZINC000577484830 365965231 /nfs/dbraw/zinc/96/52/31/365965231.db2.gz MIJDYEXHTACYRF-LBPRGKRZSA-N 2 0 227.352 -0.263 20 0 BBADRP CC[NH2+]CCCNC(=O)NCC[NH+](C)C ZINC000577486781 365965712 /nfs/dbraw/zinc/96/57/12/365965712.db2.gz LTQYLQKPLNJNBK-UHFFFAOYSA-N 2 0 216.329 -0.153 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000577491796 365967162 /nfs/dbraw/zinc/96/71/62/365967162.db2.gz MJYCPHUMPATHLB-BQBZGAKWSA-N 2 0 239.266 -0.551 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000577491797 365966884 /nfs/dbraw/zinc/96/68/84/365966884.db2.gz MJYCPHUMPATHLB-NKWVEPMBSA-N 2 0 239.266 -0.551 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000577491798 365967345 /nfs/dbraw/zinc/96/73/45/365967345.db2.gz MJYCPHUMPATHLB-RNFRBKRXSA-N 2 0 239.266 -0.551 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000577491799 365966859 /nfs/dbraw/zinc/96/68/59/365966859.db2.gz MJYCPHUMPATHLB-RQJHMYQMSA-N 2 0 239.266 -0.551 20 0 BBADRP C[NH2+]CCCN(C)C(=O)CCOC1C[NH2+]C1 ZINC000577491941 365968082 /nfs/dbraw/zinc/96/80/82/365968082.db2.gz WSQLVHALUUIZMB-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000577492854 365967897 /nfs/dbraw/zinc/96/78/97/365967897.db2.gz ONKGHCSFKHLTKR-FOGDFJRCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000577492859 365968563 /nfs/dbraw/zinc/96/85/63/365968563.db2.gz ONKGHCSFKHLTKR-UMNHJUIQSA-N 2 0 223.320 -0.146 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000577502346 365970542 /nfs/dbraw/zinc/97/05/42/365970542.db2.gz HCKJFVWVLZIXBY-JTQLQIEISA-N 2 0 229.324 -0.453 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000577502347 365970420 /nfs/dbraw/zinc/97/04/20/365970420.db2.gz HCKJFVWVLZIXBY-SNVBAGLBSA-N 2 0 229.324 -0.453 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000577508073 365974641 /nfs/dbraw/zinc/97/46/41/365974641.db2.gz DEOYXKXALXZQFO-VIFPVBQESA-N 2 0 245.323 -0.667 20 0 BBADRP [NH3+]CCN(CCO)CC[C@H]1CCC[NH2+]C1 ZINC000577513577 365975656 /nfs/dbraw/zinc/97/56/56/365975656.db2.gz RUKPXPSPHBRPGM-LLVKDONJSA-N 2 0 215.341 -0.371 20 0 BBADRP [NH3+]CCN(CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000577513584 365975806 /nfs/dbraw/zinc/97/58/06/365975806.db2.gz RUKPXPSPHBRPGM-NSHDSACASA-N 2 0 215.341 -0.371 20 0 BBADRP COCC[NH2+]CCNC(=O)CC[NH2+]C1CC1 ZINC000577529173 365980085 /nfs/dbraw/zinc/98/00/85/365980085.db2.gz ORASBLUGNRCJFS-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000577530449 365980584 /nfs/dbraw/zinc/98/05/84/365980584.db2.gz KHFBCLYNOKMSJE-QMMMGPOBSA-N 2 0 200.286 -0.743 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]2CCC1CC2 ZINC000577607933 366016068 /nfs/dbraw/zinc/01/60/68/366016068.db2.gz JNQZEUFTXALUDC-LLVKDONJSA-N 2 0 241.335 -0.343 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]2CCC1CC2 ZINC000577607934 366008360 /nfs/dbraw/zinc/00/83/60/366008360.db2.gz JNQZEUFTXALUDC-NSHDSACASA-N 2 0 241.335 -0.343 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000577608885 366015963 /nfs/dbraw/zinc/01/59/63/366015963.db2.gz KNTVHZZQXQNHQA-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000577608886 366015837 /nfs/dbraw/zinc/01/58/37/366015837.db2.gz KNTVHZZQXQNHQA-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000577608887 366016227 /nfs/dbraw/zinc/01/62/27/366016227.db2.gz KNTVHZZQXQNHQA-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000577608888 366016123 /nfs/dbraw/zinc/01/61/23/366016123.db2.gz KNTVHZZQXQNHQA-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP CC1CC([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000577620197 366019904 /nfs/dbraw/zinc/01/99/04/366019904.db2.gz RQDQQOVATVNNSL-UHFFFAOYSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(CCC[NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000577627868 366025984 /nfs/dbraw/zinc/02/59/84/366025984.db2.gz KHCNBCYBZWKBQG-JTQLQIEISA-N 2 0 228.340 -0.024 20 0 BBADRP CN(CCC[NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000577627869 366025881 /nfs/dbraw/zinc/02/58/81/366025881.db2.gz KHCNBCYBZWKBQG-SNVBAGLBSA-N 2 0 228.340 -0.024 20 0 BBADRP COCC1(C(=O)N[C@@H](C)CC[NH3+])CC[NH2+]CC1 ZINC000577631450 366027169 /nfs/dbraw/zinc/02/71/69/366027169.db2.gz UIJCYNQRMZRTID-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP COCC1(C(=O)N[C@H](C)CC[NH3+])CC[NH2+]CC1 ZINC000577631452 366026528 /nfs/dbraw/zinc/02/65/28/366026528.db2.gz UIJCYNQRMZRTID-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000577632687 366026988 /nfs/dbraw/zinc/02/69/88/366026988.db2.gz YUYKGVJSGMRVPC-MNOVXSKESA-N 2 0 242.367 -0.620 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000577632688 344585518 /nfs/dbraw/zinc/58/55/18/344585518.db2.gz YUYKGVJSGMRVPC-QWRGUYRKSA-N 2 0 242.367 -0.620 20 0 BBADRP COC1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]CC1 ZINC000577634829 344586661 /nfs/dbraw/zinc/58/66/61/344586661.db2.gz APCZBKQMDGPRGW-JTQLQIEISA-N 2 0 241.335 -0.392 20 0 BBADRP COC1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]CC1 ZINC000577634832 344586609 /nfs/dbraw/zinc/58/66/09/344586609.db2.gz APCZBKQMDGPRGW-SNVBAGLBSA-N 2 0 241.335 -0.392 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000577636244 366028255 /nfs/dbraw/zinc/02/82/55/366028255.db2.gz NGVPZMZKIOCLNB-SECBINFHSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000577636245 366028445 /nfs/dbraw/zinc/02/84/45/366028445.db2.gz NGVPZMZKIOCLNB-VIFPVBQESA-N 2 0 215.297 -0.782 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000577649240 366029169 /nfs/dbraw/zinc/02/91/69/366029169.db2.gz XLLYJHHNRXMKMP-GXSJLCMTSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000577649243 366029075 /nfs/dbraw/zinc/02/90/75/366029075.db2.gz XLLYJHHNRXMKMP-ONGXEEELSA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000577651614 366032564 /nfs/dbraw/zinc/03/25/64/366032564.db2.gz LZCYWTHNBJRXEE-SFYZADRCSA-N 2 0 200.286 -0.663 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000577651615 366032033 /nfs/dbraw/zinc/03/20/33/366032033.db2.gz LZCYWTHNBJRXEE-YUMQZZPRSA-N 2 0 200.286 -0.663 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000577720907 366043013 /nfs/dbraw/zinc/04/30/13/366043013.db2.gz BZRIQTMJZPKAAT-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000577720908 366042369 /nfs/dbraw/zinc/04/23/69/366042369.db2.gz BZRIQTMJZPKAAT-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000577720909 366041996 /nfs/dbraw/zinc/04/19/96/366041996.db2.gz BZRIQTMJZPKAAT-QWRGUYRKSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000577720910 366042102 /nfs/dbraw/zinc/04/21/02/366042102.db2.gz BZRIQTMJZPKAAT-WDEREUQCSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000577727077 366043783 /nfs/dbraw/zinc/04/37/83/366043783.db2.gz XHEMGNKBGVIYQY-GFCCVEGCSA-N 2 0 223.320 -0.050 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000577727078 366043496 /nfs/dbraw/zinc/04/34/96/366043496.db2.gz XHEMGNKBGVIYQY-LBPRGKRZSA-N 2 0 223.320 -0.050 20 0 BBADRP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000577728636 366045549 /nfs/dbraw/zinc/04/55/49/366045549.db2.gz MMEOIJKVZFPXNK-MWLCHTKSSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+][C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000577731038 366046660 /nfs/dbraw/zinc/04/66/60/366046660.db2.gz VMNMJKUBJRHSHH-LLVKDONJSA-N 2 0 212.341 -0.685 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577753536 366053653 /nfs/dbraw/zinc/05/36/53/366053653.db2.gz LYGYXPFEKUFEBC-HRDYMLBCSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577753537 366053682 /nfs/dbraw/zinc/05/36/82/366053682.db2.gz LYGYXPFEKUFEBC-YIZRAAEISA-N 2 0 211.309 -0.020 20 0 BBADRP O=C(CC[NH2+]C1CC1)NCCN1CC[NH2+]CC1 ZINC000577767380 366057614 /nfs/dbraw/zinc/05/76/14/366057614.db2.gz AFUVWNSWVWOVGU-UHFFFAOYSA-N 2 0 240.351 -0.850 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000577841240 366079667 /nfs/dbraw/zinc/07/96/67/366079667.db2.gz CLMKGUNYQWNWTO-AEJSXWLSSA-N 2 0 227.308 -0.783 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000577841241 366079712 /nfs/dbraw/zinc/07/97/12/366079712.db2.gz CLMKGUNYQWNWTO-IVZWLZJFSA-N 2 0 227.308 -0.783 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)[NH3+] ZINC000577851958 366083554 /nfs/dbraw/zinc/08/35/54/366083554.db2.gz QSEUNWHKHDTSJG-SECBINFHSA-N 2 0 217.313 -0.630 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577867838 366092363 /nfs/dbraw/zinc/09/23/63/366092363.db2.gz CCCSVNJMWWEZTR-AXFHLTTASA-N 2 0 238.335 -0.401 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577867839 366092419 /nfs/dbraw/zinc/09/24/19/366092419.db2.gz CCCSVNJMWWEZTR-DCAQKATOSA-N 2 0 238.335 -0.401 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577867840 366092925 /nfs/dbraw/zinc/09/29/25/366092925.db2.gz CCCSVNJMWWEZTR-MXWKQRLJSA-N 2 0 238.335 -0.401 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577867841 366092794 /nfs/dbraw/zinc/09/27/94/366092794.db2.gz CCCSVNJMWWEZTR-VWYCJHECSA-N 2 0 238.335 -0.401 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000577868296 366092936 /nfs/dbraw/zinc/09/29/36/366092936.db2.gz HXXHGRMTEFNOGU-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000577868297 366092545 /nfs/dbraw/zinc/09/25/45/366092545.db2.gz HXXHGRMTEFNOGU-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000577868298 366092980 /nfs/dbraw/zinc/09/29/80/366092980.db2.gz HXXHGRMTEFNOGU-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000577868299 366092509 /nfs/dbraw/zinc/09/25/09/366092509.db2.gz HXXHGRMTEFNOGU-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000577868305 366093078 /nfs/dbraw/zinc/09/30/78/366093078.db2.gz IPTYUIGHHKSMRS-GFCCVEGCSA-N 2 0 242.367 -0.475 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000577868306 366092970 /nfs/dbraw/zinc/09/29/70/366092970.db2.gz IPTYUIGHHKSMRS-LBPRGKRZSA-N 2 0 242.367 -0.475 20 0 BBADRP CO[C@@H]1CCN(CCC[NH3+])[C@@H](C[NH3+])C1 ZINC000577870745 366093162 /nfs/dbraw/zinc/09/31/62/366093162.db2.gz QYSCEYWFHBSFQS-NXEZZACHSA-N 2 0 201.314 -0.227 20 0 BBADRP CO[C@H]1CCN(CCC[NH3+])[C@H](C[NH3+])C1 ZINC000577870746 366092282 /nfs/dbraw/zinc/09/22/82/366092282.db2.gz QYSCEYWFHBSFQS-UWVGGRQHSA-N 2 0 201.314 -0.227 20 0 BBADRP CO[C@@H]1CCN(CCC[NH3+])[C@H](C[NH3+])C1 ZINC000577870747 366092622 /nfs/dbraw/zinc/09/26/22/366092622.db2.gz QYSCEYWFHBSFQS-VHSXEESVSA-N 2 0 201.314 -0.227 20 0 BBADRP CO[C@H]1CCN(CCC[NH3+])[C@@H](C[NH3+])C1 ZINC000577870748 366093035 /nfs/dbraw/zinc/09/30/35/366093035.db2.gz QYSCEYWFHBSFQS-ZJUUUORDSA-N 2 0 201.314 -0.227 20 0 BBADRP CC(C)([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000577951023 366134993 /nfs/dbraw/zinc/13/49/93/366134993.db2.gz SBHGWANBWNVKAA-JTQLQIEISA-N 2 0 240.351 -0.770 20 0 BBADRP CC(C)([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000577951024 366134299 /nfs/dbraw/zinc/13/42/99/366134299.db2.gz SBHGWANBWNVKAA-SNVBAGLBSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CC[NH3+] ZINC000577951183 366134276 /nfs/dbraw/zinc/13/42/76/366134276.db2.gz CSBOYOOJXNIRKQ-HTQZYQBOSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CC[NH3+] ZINC000577951184 366134526 /nfs/dbraw/zinc/13/45/26/366134526.db2.gz CSBOYOOJXNIRKQ-JGVFFNPUSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000577951185 366134517 /nfs/dbraw/zinc/13/45/17/366134517.db2.gz CSBOYOOJXNIRKQ-SFYZADRCSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000577951186 366134501 /nfs/dbraw/zinc/13/45/01/366134501.db2.gz CSBOYOOJXNIRKQ-YUMQZZPRSA-N 2 0 202.302 -0.288 20 0 BBADRP COCC[NH2+]CC(=O)NCCC[NH2+]C(C)C ZINC000577951208 344657482 /nfs/dbraw/zinc/65/74/82/344657482.db2.gz FJMFCBUXNRDKMI-UHFFFAOYSA-N 2 0 231.340 -0.273 20 0 BBADRP C[C@@H](C(N)=O)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577953331 366135485 /nfs/dbraw/zinc/13/54/85/366135485.db2.gz CXWXTAYAGSIFOF-GDPRMGEGSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H](C(N)=O)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577953332 366135925 /nfs/dbraw/zinc/13/59/25/366135925.db2.gz CXWXTAYAGSIFOF-IEBDPFPHSA-N 2 0 241.335 -0.312 20 0 BBADRP [NH3+]C[C@H](NC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000577963365 366147710 /nfs/dbraw/zinc/14/77/10/366147710.db2.gz WYUQRISLFGQKOW-JTQLQIEISA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H](NC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000577963366 366147114 /nfs/dbraw/zinc/14/71/14/366147114.db2.gz WYUQRISLFGQKOW-SNVBAGLBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[NH2+]1 ZINC000578010599 366177775 /nfs/dbraw/zinc/17/77/75/366177775.db2.gz UBGANLNTZXLZQN-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000578011401 366175448 /nfs/dbraw/zinc/17/54/48/366175448.db2.gz IWAMLSVFYLPDOS-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000578011402 366176231 /nfs/dbraw/zinc/17/62/31/366176231.db2.gz IWAMLSVFYLPDOS-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000578011403 366176088 /nfs/dbraw/zinc/17/60/88/366176088.db2.gz IWAMLSVFYLPDOS-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000578011404 366175478 /nfs/dbraw/zinc/17/54/78/366175478.db2.gz IWAMLSVFYLPDOS-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000578011547 366179034 /nfs/dbraw/zinc/17/90/34/366179034.db2.gz XCXNSLKDXBRYSZ-JFGNBEQYSA-N 2 0 223.320 -0.336 20 0 BBADRP C[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000578011548 366179071 /nfs/dbraw/zinc/17/90/71/366179071.db2.gz XCXNSLKDXBRYSZ-UMNHJUIQSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000578011959 366178187 /nfs/dbraw/zinc/17/81/87/366178187.db2.gz KCFWXHPZSBGNJG-BLFANLJRSA-N 2 0 235.331 -0.194 20 0 BBADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000578011960 366178617 /nfs/dbraw/zinc/17/86/17/366178617.db2.gz KCFWXHPZSBGNJG-DCQANWLSSA-N 2 0 235.331 -0.194 20 0 BBADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000578011961 366179150 /nfs/dbraw/zinc/17/91/50/366179150.db2.gz KCFWXHPZSBGNJG-HNCHTBHHSA-N 2 0 235.331 -0.194 20 0 BBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000578011962 366178686 /nfs/dbraw/zinc/17/86/86/366178686.db2.gz KCFWXHPZSBGNJG-MPPDQPJWSA-N 2 0 235.331 -0.194 20 0 BBADRP O=C1NCC[C@@H]1[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578013440 366180267 /nfs/dbraw/zinc/18/02/67/366180267.db2.gz QFKACFIZVQLFSU-AXFHLTTASA-N 2 0 223.320 -0.194 20 0 BBADRP O=C1NCC[C@H]1[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578013441 366180633 /nfs/dbraw/zinc/18/06/33/366180633.db2.gz QFKACFIZVQLFSU-OUAUKWLOSA-N 2 0 223.320 -0.194 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000578019274 366183851 /nfs/dbraw/zinc/18/38/51/366183851.db2.gz QIPRWRYDSDNJIF-BBBLOLIVSA-N 2 0 201.314 -0.764 20 0 BBADRP CC1(C(=O)NCCCN2CC[NH2+]CC2)C[NH2+]C1 ZINC000578068454 366216202 /nfs/dbraw/zinc/21/62/02/366216202.db2.gz BVFLKHYVLFQNLU-UHFFFAOYSA-N 2 0 240.351 -0.993 20 0 BBADRP CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1(C[NH3+])CCC1 ZINC000578133023 366287823 /nfs/dbraw/zinc/28/78/23/366287823.db2.gz RKVMSCMCKOTDID-ZJUUUORDSA-N 2 0 241.335 -0.168 20 0 BBADRP CC(C)[NH2+]C1(CO)CCN(CCO)CC1 ZINC000578140384 366320671 /nfs/dbraw/zinc/32/06/71/366320671.db2.gz IBFDBENAPBZMHO-UHFFFAOYSA-N 2 0 216.325 -0.196 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N(C)CCC[NH3+] ZINC000578144335 366324749 /nfs/dbraw/zinc/32/47/49/366324749.db2.gz QHXVEKSWXIELKG-MRVPVSSYSA-N 2 0 202.302 -0.429 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N(C)CCC[NH3+] ZINC000578144336 366324040 /nfs/dbraw/zinc/32/40/40/366324040.db2.gz QHXVEKSWXIELKG-QMMMGPOBSA-N 2 0 202.302 -0.429 20 0 BBADRP CC(C)(C[NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578191749 366376261 /nfs/dbraw/zinc/37/62/61/366376261.db2.gz GGSCJQBREHHNHE-SECBINFHSA-N 2 0 229.324 -0.534 20 0 BBADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578191750 366376115 /nfs/dbraw/zinc/37/61/15/366376115.db2.gz GGSCJQBREHHNHE-VIFPVBQESA-N 2 0 229.324 -0.534 20 0 BBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)C[NH3+])C1(C)C ZINC000578191945 366376200 /nfs/dbraw/zinc/37/62/00/366376200.db2.gz TVDBWTJERQOEDI-KBVBSXBZSA-N 2 0 243.351 -0.018 20 0 BBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C[NH3+])C1(C)C ZINC000578191946 366376143 /nfs/dbraw/zinc/37/61/43/366376143.db2.gz TVDBWTJERQOEDI-LNLATYFQSA-N 2 0 243.351 -0.018 20 0 BBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C[NH3+])C1(C)C ZINC000578191947 366376761 /nfs/dbraw/zinc/37/67/61/366376761.db2.gz TVDBWTJERQOEDI-PTRXPTGYSA-N 2 0 243.351 -0.018 20 0 BBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)C[NH3+])C1(C)C ZINC000578191948 366376454 /nfs/dbraw/zinc/37/64/54/366376454.db2.gz TVDBWTJERQOEDI-VDDIYKPWSA-N 2 0 243.351 -0.018 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC1(C[NH3+])CCCC1 ZINC000578193778 366377385 /nfs/dbraw/zinc/37/73/85/366377385.db2.gz STGSACHMQFABFC-SECBINFHSA-N 2 0 229.324 -0.262 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC1(C[NH3+])CCCC1 ZINC000578193779 366377126 /nfs/dbraw/zinc/37/71/26/366377126.db2.gz STGSACHMQFABFC-VIFPVBQESA-N 2 0 229.324 -0.262 20 0 BBADRP O=C(C[NH2+]C1CC1)NCCC[NH2+]C1CC1 ZINC000578194259 366379020 /nfs/dbraw/zinc/37/90/20/366379020.db2.gz QPNMBQPGJWAIHN-UHFFFAOYSA-N 2 0 211.309 -0.003 20 0 BBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3CC3)CCN2C1=O ZINC000578206407 366390463 /nfs/dbraw/zinc/39/04/63/366390463.db2.gz ROQJSNSNDHXCHH-NXEZZACHSA-N 2 0 209.293 -0.360 20 0 BBADRP [NH3+][C@H]1C[C@H]2C[N@H+](CC3CC3)CCN2C1=O ZINC000578206408 366391581 /nfs/dbraw/zinc/39/15/81/366391581.db2.gz ROQJSNSNDHXCHH-UWVGGRQHSA-N 2 0 209.293 -0.360 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3CC3)CCN2C1=O ZINC000578206409 366391413 /nfs/dbraw/zinc/39/14/13/366391413.db2.gz ROQJSNSNDHXCHH-VHSXEESVSA-N 2 0 209.293 -0.360 20 0 BBADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3CC3)CCN2C1=O ZINC000578206410 366390431 /nfs/dbraw/zinc/39/04/31/366390431.db2.gz ROQJSNSNDHXCHH-ZJUUUORDSA-N 2 0 209.293 -0.360 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000578231700 366463172 /nfs/dbraw/zinc/46/31/72/366463172.db2.gz BVWQTUNCUKZENI-NTSWFWBYSA-N 2 0 243.229 -0.644 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000578231701 366463323 /nfs/dbraw/zinc/46/33/23/366463323.db2.gz BVWQTUNCUKZENI-PHDIDXHHSA-N 2 0 243.229 -0.644 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000578231702 366463442 /nfs/dbraw/zinc/46/34/42/366463442.db2.gz BVWQTUNCUKZENI-RITPCOANSA-N 2 0 243.229 -0.644 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000578231703 366462977 /nfs/dbraw/zinc/46/29/77/366462977.db2.gz BVWQTUNCUKZENI-WDSKDSINSA-N 2 0 243.229 -0.644 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000578237995 366466730 /nfs/dbraw/zinc/46/67/30/366466730.db2.gz GCGXUQWDHSYGFH-DTWKUNHWSA-N 2 0 243.307 -0.913 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000578237996 366467041 /nfs/dbraw/zinc/46/70/41/366467041.db2.gz GCGXUQWDHSYGFH-IUCAKERBSA-N 2 0 243.307 -0.913 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C(=O)C[NH2+]CCOC)C1 ZINC000578321722 366509757 /nfs/dbraw/zinc/50/97/57/366509757.db2.gz WYRPMTPSPGFREZ-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[NH2+]CCOC)C1 ZINC000578321723 366504374 /nfs/dbraw/zinc/50/43/74/366504374.db2.gz WYRPMTPSPGFREZ-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP C[C@@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000578321972 366509725 /nfs/dbraw/zinc/50/97/25/366509725.db2.gz DXWYEEDTUMPBIW-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000578321973 366509819 /nfs/dbraw/zinc/50/98/19/366509819.db2.gz DXWYEEDTUMPBIW-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000578321974 366509787 /nfs/dbraw/zinc/50/97/87/366509787.db2.gz DXWYEEDTUMPBIW-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000578321975 366509800 /nfs/dbraw/zinc/50/98/00/366509800.db2.gz DXWYEEDTUMPBIW-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP Nc1cc[nH+]cc1C(=O)N1CCC[NH2+]CC1 ZINC000578323814 366512448 /nfs/dbraw/zinc/51/24/48/366512448.db2.gz XPUOKWRDJADJHB-UHFFFAOYSA-N 2 0 220.276 -0.070 20 0 BBADRP C[NH2+][C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000578324132 366513007 /nfs/dbraw/zinc/51/30/07/366513007.db2.gz UGIDTZJJSIQMCA-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000578443610 366569693 /nfs/dbraw/zinc/56/96/93/366569693.db2.gz KOIMRQIGXJJHBE-UWVGGRQHSA-N 2 0 229.324 -0.310 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000578443612 366569926 /nfs/dbraw/zinc/56/99/26/366569926.db2.gz KOIMRQIGXJJHBE-ZJUUUORDSA-N 2 0 229.324 -0.310 20 0 BBADRP COCC[NH2+]CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000578445435 366570667 /nfs/dbraw/zinc/57/06/67/366570667.db2.gz CPGJKANETKPMHI-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[NH2+]CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000578445436 366571082 /nfs/dbraw/zinc/57/10/82/366571082.db2.gz CPGJKANETKPMHI-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP CN(C(=O)CCOC1C[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000578505757 366581231 /nfs/dbraw/zinc/58/12/31/366581231.db2.gz HXICFHNETRCSDL-LLVKDONJSA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)CCOC1C[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000578505758 366582874 /nfs/dbraw/zinc/58/28/74/366582874.db2.gz HXICFHNETRCSDL-NSHDSACASA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578505894 366582766 /nfs/dbraw/zinc/58/27/66/366582766.db2.gz QKRGVYOINOPLSL-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578505895 366583108 /nfs/dbraw/zinc/58/31/08/366583108.db2.gz QKRGVYOINOPLSL-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP CCCN(CC(N)=O)C[C@@H](O)C[N@H+](C)CC ZINC000578518651 366587271 /nfs/dbraw/zinc/58/72/71/366587271.db2.gz CGADNEGXFSFEQT-JTQLQIEISA-N 2 0 231.340 -0.504 20 0 BBADRP CCCN(CC(N)=O)C[C@H](O)C[N@H+](C)CC ZINC000578518652 366587226 /nfs/dbraw/zinc/58/72/26/366587226.db2.gz CGADNEGXFSFEQT-SNVBAGLBSA-N 2 0 231.340 -0.504 20 0 BBADRP CC[N@H+](C[C@H](O)CN(C)CCOC)[C@@H](C)CO ZINC000578519941 366588260 /nfs/dbraw/zinc/58/82/60/366588260.db2.gz LMOMPCBQCWIEDJ-NWDGAFQWSA-N 2 0 248.367 -0.372 20 0 BBADRP CC[N@H+](C[C@@H](O)CN(C)CCOC)[C@@H](C)CO ZINC000578519942 366587692 /nfs/dbraw/zinc/58/76/92/366587692.db2.gz LMOMPCBQCWIEDJ-RYUDHWBXSA-N 2 0 248.367 -0.372 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000578520522 366589466 /nfs/dbraw/zinc/58/94/66/366589466.db2.gz DAAWHHNIMQBOOJ-UHFFFAOYSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000578528491 366591922 /nfs/dbraw/zinc/59/19/22/366591922.db2.gz CQNGSPKVHVBCHW-GHMZBOCLSA-N 2 0 240.351 -0.770 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000578528492 366591866 /nfs/dbraw/zinc/59/18/66/366591866.db2.gz CQNGSPKVHVBCHW-WDEREUQCSA-N 2 0 240.351 -0.770 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000578530077 366591671 /nfs/dbraw/zinc/59/16/71/366591671.db2.gz QKDCIDUXLFHEFR-BDAKNGLRSA-N 2 0 245.323 -0.634 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000578530078 366592007 /nfs/dbraw/zinc/59/20/07/366592007.db2.gz QKDCIDUXLFHEFR-DTWKUNHWSA-N 2 0 245.323 -0.634 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000578530079 366592367 /nfs/dbraw/zinc/59/23/67/366592367.db2.gz QKDCIDUXLFHEFR-IUCAKERBSA-N 2 0 245.323 -0.634 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000578530080 366591941 /nfs/dbraw/zinc/59/19/41/366591941.db2.gz QKDCIDUXLFHEFR-RKDXNWHRSA-N 2 0 245.323 -0.634 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000578535061 366594251 /nfs/dbraw/zinc/59/42/51/366594251.db2.gz AMZGOGDUKCFLCU-FOGDFJRCSA-N 2 0 223.320 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000578535062 366594092 /nfs/dbraw/zinc/59/40/92/366594092.db2.gz AMZGOGDUKCFLCU-SCVCMEIPSA-N 2 0 223.320 -0.051 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000578624800 366611728 /nfs/dbraw/zinc/61/17/28/366611728.db2.gz ULWMLOQGOHHFOE-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000578624801 366611282 /nfs/dbraw/zinc/61/12/82/366611282.db2.gz ULWMLOQGOHHFOE-MNOVXSKESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000578624802 366611769 /nfs/dbraw/zinc/61/17/69/366611769.db2.gz ULWMLOQGOHHFOE-QWRGUYRKSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000578624803 366610962 /nfs/dbraw/zinc/61/09/62/366610962.db2.gz ULWMLOQGOHHFOE-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@]1(CNC(=O)[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000578625191 366611178 /nfs/dbraw/zinc/61/11/78/366611178.db2.gz AJHBATHONWJHBU-CMPLNLGQSA-N 2 0 243.351 -0.146 20 0 BBADRP COC[C@@]1(CNC(=O)[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000578625192 366611020 /nfs/dbraw/zinc/61/10/20/366611020.db2.gz AJHBATHONWJHBU-JQWIXIFHSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578625707 366611602 /nfs/dbraw/zinc/61/16/02/366611602.db2.gz HMNYHHVBLPTAFC-LLVKDONJSA-N 2 0 243.351 -0.179 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578625708 366611067 /nfs/dbraw/zinc/61/10/67/366611067.db2.gz HMNYHHVBLPTAFC-NSHDSACASA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000578625985 366611692 /nfs/dbraw/zinc/61/16/92/366611692.db2.gz XHOXNSLQNZUDAV-JTQLQIEISA-N 2 0 228.340 -0.994 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000578625986 366611420 /nfs/dbraw/zinc/61/14/20/366611420.db2.gz XHOXNSLQNZUDAV-SNVBAGLBSA-N 2 0 228.340 -0.994 20 0 BBADRP C[C@@H](O)[C@@H](C)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000578641224 366616786 /nfs/dbraw/zinc/61/67/86/366616786.db2.gz RNGQPZOCCXGECY-GHMZBOCLSA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)[C@H](C)O ZINC000578641225 366616777 /nfs/dbraw/zinc/61/67/77/366616777.db2.gz RNGQPZOCCXGECY-MNOVXSKESA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@H](O)[C@H](C)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000578641226 366616720 /nfs/dbraw/zinc/61/67/20/366616720.db2.gz RNGQPZOCCXGECY-QWRGUYRKSA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@@H](O)[C@H](C)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000578641227 366616761 /nfs/dbraw/zinc/61/67/61/366616761.db2.gz RNGQPZOCCXGECY-WDEREUQCSA-N 2 0 243.351 -0.491 20 0 BBADRP O=C(COC1C[NH2+]C1)NCCC[C@@H]1CCC[NH2+]1 ZINC000578747046 366636418 /nfs/dbraw/zinc/63/64/18/366636418.db2.gz BBPRKYPJQJHHAV-JTQLQIEISA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(COC1C[NH2+]C1)NCCC[C@H]1CCC[NH2+]1 ZINC000578747047 366636531 /nfs/dbraw/zinc/63/65/31/366636531.db2.gz BBPRKYPJQJHHAV-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP [NH3+]CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000578767523 366645348 /nfs/dbraw/zinc/64/53/48/366645348.db2.gz OCSSLEYYFWNNPW-JTQLQIEISA-N 2 0 237.307 -0.504 20 0 BBADRP [NH3+]CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000578767524 366645209 /nfs/dbraw/zinc/64/52/09/366645209.db2.gz OCSSLEYYFWNNPW-SNVBAGLBSA-N 2 0 237.307 -0.504 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000578768019 366645332 /nfs/dbraw/zinc/64/53/32/366645332.db2.gz HJZYVTCJSHCTJJ-AEJSXWLSSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000578768020 366644821 /nfs/dbraw/zinc/64/48/21/366644821.db2.gz HJZYVTCJSHCTJJ-BBBLOLIVSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000578768021 366645305 /nfs/dbraw/zinc/64/53/05/366645305.db2.gz HJZYVTCJSHCTJJ-GUBZILKMSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000578768022 366645264 /nfs/dbraw/zinc/64/52/64/366645264.db2.gz HJZYVTCJSHCTJJ-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H](C)CC[NH3+])CC[NH2+]C1 ZINC000578768094 366645016 /nfs/dbraw/zinc/64/50/16/366645016.db2.gz JVCJNCFFZPLYRK-GXSJLCMTSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)CC[NH3+])CC[NH2+]C1 ZINC000578768096 366645250 /nfs/dbraw/zinc/64/52/50/366645250.db2.gz JVCJNCFFZPLYRK-KOLCDFICSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@@]1(C(=O)N[C@H](C)CC[NH3+])CC[NH2+]C1 ZINC000578768097 366645460 /nfs/dbraw/zinc/64/54/60/366645460.db2.gz JVCJNCFFZPLYRK-MWLCHTKSSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)CC[NH3+])CC[NH2+]C1 ZINC000578768098 366644706 /nfs/dbraw/zinc/64/47/06/366644706.db2.gz JVCJNCFFZPLYRK-ONGXEEELSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCN1CCOC(C)(C)C1 ZINC000578863488 366660100 /nfs/dbraw/zinc/66/01/00/366660100.db2.gz LRZTZUCKACEJKY-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000578865988 366660180 /nfs/dbraw/zinc/66/01/80/366660180.db2.gz FRRAWENSUSUEKA-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCC[NH2+]C1CC1 ZINC000578870799 366663372 /nfs/dbraw/zinc/66/33/72/366663372.db2.gz RWMMGHWYEHOONI-LLVKDONJSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NCCC[NH2+]C1CC1 ZINC000578870800 366663436 /nfs/dbraw/zinc/66/34/36/366663436.db2.gz RWMMGHWYEHOONI-NSHDSACASA-N 2 0 241.335 -0.377 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000578871906 366663203 /nfs/dbraw/zinc/66/32/03/366663203.db2.gz PNTWBEWZBCNJBX-GHMZBOCLSA-N 2 0 242.367 -0.524 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000578871911 366663459 /nfs/dbraw/zinc/66/34/59/366663459.db2.gz PNTWBEWZBCNJBX-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000578871912 366663519 /nfs/dbraw/zinc/66/35/19/366663519.db2.gz PNTWBEWZBCNJBX-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000578871914 366663000 /nfs/dbraw/zinc/66/30/00/366663000.db2.gz PNTWBEWZBCNJBX-WDEREUQCSA-N 2 0 242.367 -0.524 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000578879922 366665827 /nfs/dbraw/zinc/66/58/27/366665827.db2.gz VUJMEGXBRLPLCL-NXEZZACHSA-N 2 0 229.324 -0.310 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000578879923 366666573 /nfs/dbraw/zinc/66/65/73/366666573.db2.gz VUJMEGXBRLPLCL-UWVGGRQHSA-N 2 0 229.324 -0.310 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000578879924 366666454 /nfs/dbraw/zinc/66/64/54/366666454.db2.gz VUJMEGXBRLPLCL-VHSXEESVSA-N 2 0 229.324 -0.310 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000578879925 366666469 /nfs/dbraw/zinc/66/64/69/366666469.db2.gz VUJMEGXBRLPLCL-ZJUUUORDSA-N 2 0 229.324 -0.310 20 0 BBADRP CC[NH2+]CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000578889609 366668496 /nfs/dbraw/zinc/66/84/96/366668496.db2.gz TXXBGMDKJLQNTH-LLVKDONJSA-N 2 0 243.351 -0.129 20 0 BBADRP CC[NH2+]CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000578889610 366669266 /nfs/dbraw/zinc/66/92/66/366669266.db2.gz TXXBGMDKJLQNTH-NSHDSACASA-N 2 0 243.351 -0.129 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000578891017 366668807 /nfs/dbraw/zinc/66/88/07/366668807.db2.gz ZKQMFFVBHSJPJI-UWVGGRQHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000578891026 366669464 /nfs/dbraw/zinc/66/94/64/366669464.db2.gz ZKQMFFVBHSJPJI-ZJUUUORDSA-N 2 0 229.324 -0.536 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000578905287 366672076 /nfs/dbraw/zinc/67/20/76/366672076.db2.gz AUAZGTKLDNPMOF-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000578905288 366672896 /nfs/dbraw/zinc/67/28/96/366672896.db2.gz AUAZGTKLDNPMOF-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP O=C(Cn1ccnc1)NCC[NH+]1CCC1 ZINC000578946403 366677451 /nfs/dbraw/zinc/67/74/51/366677451.db2.gz VYSYIIHAYCOJIS-UHFFFAOYSA-N 2 0 208.265 -0.295 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000578991927 366689072 /nfs/dbraw/zinc/68/90/72/366689072.db2.gz JDBWLBGGJVCEEX-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000578997940 366690976 /nfs/dbraw/zinc/69/09/76/366690976.db2.gz ISYSNLXCHYRWPF-AXFHLTTASA-N 2 0 241.335 -0.426 20 0 BBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000579002408 366692443 /nfs/dbraw/zinc/69/24/43/366692443.db2.gz NYYKEDWKOFMBRI-QWRGUYRKSA-N 2 0 243.351 -0.539 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579006137 366694318 /nfs/dbraw/zinc/69/43/18/366694318.db2.gz SBZUQBANNPEVBX-AXFHLTTASA-N 2 0 239.319 -0.957 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579006138 366694896 /nfs/dbraw/zinc/69/48/96/366694896.db2.gz SBZUQBANNPEVBX-OUAUKWLOSA-N 2 0 239.319 -0.957 20 0 BBADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000579006320 366693841 /nfs/dbraw/zinc/69/38/41/366693841.db2.gz YIMJQANAQGFLQC-LLVKDONJSA-N 2 0 240.351 -0.993 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000579006895 344932749 /nfs/dbraw/zinc/93/27/49/344932749.db2.gz AJHSPDGWFCOQBE-DCAQKATOSA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000579006898 344932291 /nfs/dbraw/zinc/93/22/91/344932291.db2.gz AJHSPDGWFCOQBE-GARJFASQSA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000579006908 344932377 /nfs/dbraw/zinc/93/23/77/344932377.db2.gz AJHSPDGWFCOQBE-OUAUKWLOSA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000579006909 344932569 /nfs/dbraw/zinc/93/25/69/344932569.db2.gz AJHSPDGWFCOQBE-VWYCJHECSA-N 2 0 238.335 -0.258 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000579015811 366696440 /nfs/dbraw/zinc/69/64/40/366696440.db2.gz BZTMVLJRDFXPJZ-GMTAPVOTSA-N 2 0 215.341 -0.184 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000579015813 366696678 /nfs/dbraw/zinc/69/66/78/366696678.db2.gz BZTMVLJRDFXPJZ-MXWKQRLJSA-N 2 0 215.341 -0.184 20 0 BBADRP O=C(COC1C[NH2+]C1)NCC[N@H+]1CC=CCC1 ZINC000579107044 366706140 /nfs/dbraw/zinc/70/61/40/366706140.db2.gz ARVNMBFJMCEEER-UHFFFAOYSA-N 2 0 239.319 -0.647 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000579110067 366712208 /nfs/dbraw/zinc/71/22/08/366712208.db2.gz PEKWPVKEIQPFNB-CMPLNLGQSA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000579110068 366712497 /nfs/dbraw/zinc/71/24/97/366712497.db2.gz PEKWPVKEIQPFNB-JQWIXIFHSA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000579110069 366712262 /nfs/dbraw/zinc/71/22/62/366712262.db2.gz PEKWPVKEIQPFNB-PWSUYJOCSA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000579110070 366707764 /nfs/dbraw/zinc/70/77/64/366707764.db2.gz PEKWPVKEIQPFNB-ZYHUDNBSSA-N 2 0 243.351 -0.144 20 0 BBADRP [NH3+]Cc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)co1 ZINC000579110197 366713221 /nfs/dbraw/zinc/71/32/21/366713221.db2.gz XYOBAJQOKOBMLB-MYJAWHEDSA-N 2 0 221.260 -0.314 20 0 BBADRP C[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000579111985 366713637 /nfs/dbraw/zinc/71/36/37/366713637.db2.gz XZWREVQEKARGNW-GXSJLCMTSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000579111986 366713360 /nfs/dbraw/zinc/71/33/60/366713360.db2.gz XZWREVQEKARGNW-KOLCDFICSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000579111987 366713123 /nfs/dbraw/zinc/71/31/23/366713123.db2.gz XZWREVQEKARGNW-MWLCHTKSSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000579111988 366713789 /nfs/dbraw/zinc/71/37/89/366713789.db2.gz XZWREVQEKARGNW-ONGXEEELSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)O1 ZINC000579121253 366705985 /nfs/dbraw/zinc/70/59/85/366705985.db2.gz QOMZTFJJYSYSJH-AEJSXWLSSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000579121323 366716527 /nfs/dbraw/zinc/71/65/27/366716527.db2.gz WDBHBLPWFKUEDH-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP COCCCNC(=O)CNCC1([NH3+])CCC1 ZINC000579123781 366718013 /nfs/dbraw/zinc/71/80/13/366718013.db2.gz VRAWZSQYUIPWOM-UHFFFAOYSA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CNCCO2)C1 ZINC000579128824 366720975 /nfs/dbraw/zinc/72/09/75/366720975.db2.gz RSXHFTCSNGNYGD-GMTAPVOTSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CNCCO2)C1 ZINC000579128825 366720107 /nfs/dbraw/zinc/72/01/07/366720107.db2.gz RSXHFTCSNGNYGD-MXWKQRLJSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CNCCO2)C1 ZINC000579128826 366720760 /nfs/dbraw/zinc/72/07/60/366720760.db2.gz RSXHFTCSNGNYGD-OUAUKWLOSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNCCO2)C1 ZINC000579128827 366720936 /nfs/dbraw/zinc/72/09/36/366720936.db2.gz RSXHFTCSNGNYGD-VWYCJHECSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@@H]3CCOC3)CCN2C1=O ZINC000579143358 366724723 /nfs/dbraw/zinc/72/47/23/366724723.db2.gz UAWVZGWJBONOKT-GARJFASQSA-N 2 0 239.319 -0.733 20 0 BBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3CCOC3)CCN2C1=O ZINC000579143359 366724937 /nfs/dbraw/zinc/72/49/37/366724937.db2.gz UAWVZGWJBONOKT-GMTAPVOTSA-N 2 0 239.319 -0.733 20 0 BBADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)CCN2C1=O ZINC000579143360 366724136 /nfs/dbraw/zinc/72/41/36/366724136.db2.gz UAWVZGWJBONOKT-HBNTYKKESA-N 2 0 239.319 -0.733 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@H]3CCOC3)CCN2C1=O ZINC000579143361 366724622 /nfs/dbraw/zinc/72/46/22/366724622.db2.gz UAWVZGWJBONOKT-OUAUKWLOSA-N 2 0 239.319 -0.733 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000579221977 366737011 /nfs/dbraw/zinc/73/70/11/366737011.db2.gz OPSQYGIQQSXYQQ-UHFFFAOYSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579227905 366738405 /nfs/dbraw/zinc/73/84/05/366738405.db2.gz MNXQMDZDOJIAFK-KGDYZURWSA-N 2 0 226.324 -0.371 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579227906 366737956 /nfs/dbraw/zinc/73/79/56/366737956.db2.gz MNXQMDZDOJIAFK-RXKWGBCNSA-N 2 0 226.324 -0.371 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579227907 366737804 /nfs/dbraw/zinc/73/78/04/366737804.db2.gz MNXQMDZDOJIAFK-SQXHDICFSA-N 2 0 226.324 -0.371 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579227908 366732514 /nfs/dbraw/zinc/73/25/14/366732514.db2.gz MNXQMDZDOJIAFK-VFCFLDTKSA-N 2 0 226.324 -0.371 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000579232537 366740775 /nfs/dbraw/zinc/74/07/75/366740775.db2.gz GDTFRUIJLSUQSX-GHMZBOCLSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000579232538 366740889 /nfs/dbraw/zinc/74/08/89/366740889.db2.gz GDTFRUIJLSUQSX-MNOVXSKESA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000579232539 366740748 /nfs/dbraw/zinc/74/07/48/366740748.db2.gz GDTFRUIJLSUQSX-QWRGUYRKSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000579232540 366740753 /nfs/dbraw/zinc/74/07/53/366740753.db2.gz GDTFRUIJLSUQSX-WDEREUQCSA-N 2 0 241.335 -0.297 20 0 BBADRP [NH3+]CCN(CCO)C[C@@H]1CCCC[C@@H]1O ZINC000579240197 366742416 /nfs/dbraw/zinc/74/24/16/366742416.db2.gz FEVPHRQQLMEURV-QWRGUYRKSA-N 2 0 216.325 -0.210 20 0 BBADRP [NH3+]CCN(CCO)C[C@@H]1CCCC[C@H]1O ZINC000579240198 366741599 /nfs/dbraw/zinc/74/15/99/366741599.db2.gz FEVPHRQQLMEURV-WDEREUQCSA-N 2 0 216.325 -0.210 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H]([NH2+]C)C1 ZINC000579251100 366745720 /nfs/dbraw/zinc/74/57/20/366745720.db2.gz YMRWEEKJLNGCDZ-GHMZBOCLSA-N 2 0 215.341 -0.359 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([NH2+]C)C1 ZINC000579251102 366746684 /nfs/dbraw/zinc/74/66/84/366746684.db2.gz YMRWEEKJLNGCDZ-MNOVXSKESA-N 2 0 215.341 -0.359 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([NH2+]C)C1 ZINC000579251103 366745959 /nfs/dbraw/zinc/74/59/59/366745959.db2.gz YMRWEEKJLNGCDZ-QWRGUYRKSA-N 2 0 215.341 -0.359 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@H]([NH2+]C)C1 ZINC000579251104 366747011 /nfs/dbraw/zinc/74/70/11/366747011.db2.gz YMRWEEKJLNGCDZ-WDEREUQCSA-N 2 0 215.341 -0.359 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCC[N@H+](C)CCCOC ZINC000579251921 366748200 /nfs/dbraw/zinc/74/82/00/366748200.db2.gz NJPCYJJVWCKINQ-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000579254375 366748778 /nfs/dbraw/zinc/74/87/78/366748778.db2.gz HUYRCUAJDOFZJK-GHMZBOCLSA-N 2 0 228.336 -0.244 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000579254376 366748379 /nfs/dbraw/zinc/74/83/79/366748379.db2.gz HUYRCUAJDOFZJK-MNOVXSKESA-N 2 0 228.336 -0.244 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](O)C2(CC2)C1 ZINC000579254377 366748107 /nfs/dbraw/zinc/74/81/07/366748107.db2.gz HUYRCUAJDOFZJK-QWRGUYRKSA-N 2 0 228.336 -0.244 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](O)C2(CC2)C1 ZINC000579254378 366748335 /nfs/dbraw/zinc/74/83/35/366748335.db2.gz HUYRCUAJDOFZJK-WDEREUQCSA-N 2 0 228.336 -0.244 20 0 BBADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000579254573 366747963 /nfs/dbraw/zinc/74/79/63/366747963.db2.gz OAPFMFHJAVWZIO-CMPLNLGQSA-N 2 0 243.351 -0.504 20 0 BBADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000579254575 344948996 /nfs/dbraw/zinc/94/89/96/344948996.db2.gz OAPFMFHJAVWZIO-PWSUYJOCSA-N 2 0 243.351 -0.504 20 0 BBADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000579254576 344948932 /nfs/dbraw/zinc/94/89/32/344948932.db2.gz OAPFMFHJAVWZIO-ZYHUDNBSSA-N 2 0 243.351 -0.504 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)NC1C[NH2+]C1 ZINC000579333329 366760583 /nfs/dbraw/zinc/76/05/83/366760583.db2.gz DQOURHCDVMFXED-MRVPVSSYSA-N 2 0 212.297 -0.601 20 0 BBADRP COC(=O)CCN(CC[NH3+])C[C@@H]1CCCO1 ZINC000579335028 366761058 /nfs/dbraw/zinc/76/10/58/366761058.db2.gz LQHFMLWEVVJDMQ-JTQLQIEISA-N 2 0 230.308 -0.011 20 0 BBADRP COC(=O)CCN(CC[NH3+])C[C@H]1CCCO1 ZINC000579335030 366760866 /nfs/dbraw/zinc/76/08/66/366760866.db2.gz LQHFMLWEVVJDMQ-SNVBAGLBSA-N 2 0 230.308 -0.011 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000579350937 366765593 /nfs/dbraw/zinc/76/55/93/366765593.db2.gz AFEYJBKNGXKBON-NXEZZACHSA-N 2 0 231.340 -0.208 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000579350938 366766263 /nfs/dbraw/zinc/76/62/63/366766263.db2.gz AFEYJBKNGXKBON-UWVGGRQHSA-N 2 0 231.340 -0.208 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000579350939 366765285 /nfs/dbraw/zinc/76/52/85/366765285.db2.gz AFEYJBKNGXKBON-VHSXEESVSA-N 2 0 231.340 -0.208 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000579350940 366766195 /nfs/dbraw/zinc/76/61/95/366766195.db2.gz AFEYJBKNGXKBON-ZJUUUORDSA-N 2 0 231.340 -0.208 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000579353008 366767428 /nfs/dbraw/zinc/76/74/28/366767428.db2.gz PKUFJYHJCUMVBS-LLVKDONJSA-N 2 0 242.367 -0.654 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000579353010 366766762 /nfs/dbraw/zinc/76/67/62/366766762.db2.gz PKUFJYHJCUMVBS-NSHDSACASA-N 2 0 242.367 -0.654 20 0 BBADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000579353931 366768228 /nfs/dbraw/zinc/76/82/28/366768228.db2.gz MNRDXMYKXHAAPJ-LLVKDONJSA-N 3 0 242.367 -0.345 20 0 BBADRP [NH3+]CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000579353934 366765450 /nfs/dbraw/zinc/76/54/50/366765450.db2.gz MNRDXMYKXHAAPJ-NSHDSACASA-N 2 0 242.367 -0.345 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC[NH2+]1 ZINC000579355289 366767796 /nfs/dbraw/zinc/76/77/96/366767796.db2.gz AQLJDZCJTRFBPT-KKZNHRDASA-N 2 0 209.293 -0.441 20 0 BBADRP COC1(C(=O)NCC2([NH3+])CCC2)CC[NH2+]CC1 ZINC000579355358 366768224 /nfs/dbraw/zinc/76/82/24/366768224.db2.gz GZYBHHUQCMCVSJ-UHFFFAOYSA-N 2 0 241.335 -0.247 20 0 BBADRP C[NH2+]C[C@H](C)CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000579355812 366768151 /nfs/dbraw/zinc/76/81/51/366768151.db2.gz YZYJSBTVXTXVRE-JTQLQIEISA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000579355813 366769136 /nfs/dbraw/zinc/76/91/36/366769136.db2.gz YZYJSBTVXTXVRE-SNVBAGLBSA-N 2 0 243.351 -0.273 20 0 BBADRP CN1CCN(c2cc[nH+]cc2NC(=O)C[NH3+])CC1 ZINC000579359076 366770226 /nfs/dbraw/zinc/77/02/26/366770226.db2.gz CBWILAYHAOYIPT-UHFFFAOYSA-N 2 0 249.318 -0.269 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@]12C[C@H]1CC[NH2+]2 ZINC000579462901 366812024 /nfs/dbraw/zinc/81/20/24/366812024.db2.gz ISQLEDWAPPSTTN-KKZNHRDASA-N 2 0 209.293 -0.393 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@]12C[C@H]1CC[NH2+]2 ZINC000579462902 366811016 /nfs/dbraw/zinc/81/10/16/366811016.db2.gz ISQLEDWAPPSTTN-YWVKMMECSA-N 2 0 209.293 -0.393 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000579469598 366818291 /nfs/dbraw/zinc/81/82/91/366818291.db2.gz MGKNBRZHSULPRR-VIFPVBQESA-N 2 0 245.323 -0.665 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000579471364 366819691 /nfs/dbraw/zinc/81/96/91/366819691.db2.gz WCPJBLSJRRNNGG-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000579471365 366819682 /nfs/dbraw/zinc/81/96/82/366819682.db2.gz WCPJBLSJRRNNGG-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000579471368 366819306 /nfs/dbraw/zinc/81/93/06/366819306.db2.gz WGVFCRUODVLTQF-LLVKDONJSA-N 2 0 243.351 -0.131 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000579471369 366819560 /nfs/dbraw/zinc/81/95/60/366819560.db2.gz WGVFCRUODVLTQF-NSHDSACASA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000579472775 366820798 /nfs/dbraw/zinc/82/07/98/366820798.db2.gz NWXLZBBFRYOSBC-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000579472776 366821190 /nfs/dbraw/zinc/82/11/90/366821190.db2.gz NWXLZBBFRYOSBC-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CCCC1 ZINC000579475090 366822289 /nfs/dbraw/zinc/82/22/89/366822289.db2.gz JSWFFCAHYSAHMJ-AXFHLTTASA-N 2 0 241.335 -0.657 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CCCC1 ZINC000579475091 366822576 /nfs/dbraw/zinc/82/25/76/366822576.db2.gz JSWFFCAHYSAHMJ-HBNTYKKESA-N 2 0 241.335 -0.657 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000579493630 366832010 /nfs/dbraw/zinc/83/20/10/366832010.db2.gz NXLRZNSQWXRVNV-MNOVXSKESA-N 2 0 242.367 -0.654 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000579493631 366832110 /nfs/dbraw/zinc/83/21/10/366832110.db2.gz NXLRZNSQWXRVNV-QWRGUYRKSA-N 2 0 242.367 -0.654 20 0 BBADRP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C1C[NH2+]C1 ZINC000579590224 366894327 /nfs/dbraw/zinc/89/43/27/366894327.db2.gz RKDQAZWEFMYEFR-FXPVBKGRSA-N 2 0 225.336 -0.044 20 0 BBADRP C[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C1C[NH2+]C1 ZINC000579590225 366894216 /nfs/dbraw/zinc/89/42/16/366894216.db2.gz RKDQAZWEFMYEFR-KKZNHRDASA-N 2 0 225.336 -0.044 20 0 BBADRP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C1C[NH2+]C1 ZINC000579590226 366894342 /nfs/dbraw/zinc/89/43/42/366894342.db2.gz RKDQAZWEFMYEFR-WCABBAIRSA-N 2 0 225.336 -0.044 20 0 BBADRP C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C1C[NH2+]C1 ZINC000579590227 366894299 /nfs/dbraw/zinc/89/42/99/366894299.db2.gz RKDQAZWEFMYEFR-YWVKMMECSA-N 2 0 225.336 -0.044 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000579591055 366895962 /nfs/dbraw/zinc/89/59/62/366895962.db2.gz CMOQWEUWHOYONX-ZYHUDNBSSA-N 2 0 243.351 -0.334 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579591114 366895749 /nfs/dbraw/zinc/89/57/49/366895749.db2.gz UEBOJQAUSOJQAL-AXTSPUMRSA-N 2 0 211.309 -0.292 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579591115 366895431 /nfs/dbraw/zinc/89/54/31/366895431.db2.gz UEBOJQAUSOJQAL-IMSYWVGJSA-N 2 0 211.309 -0.292 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000579594317 366896888 /nfs/dbraw/zinc/89/68/88/366896888.db2.gz JEGIJCODPRWOKK-CIUDSAMLSA-N 2 0 217.313 -0.408 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000579594318 366896699 /nfs/dbraw/zinc/89/66/99/366896699.db2.gz JEGIJCODPRWOKK-HLTSFMKQSA-N 2 0 217.313 -0.408 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000579594319 366897037 /nfs/dbraw/zinc/89/70/37/366897037.db2.gz JEGIJCODPRWOKK-VGMNWLOBSA-N 2 0 217.313 -0.408 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000579594320 366896780 /nfs/dbraw/zinc/89/67/80/366896780.db2.gz JEGIJCODPRWOKK-YIZRAAEISA-N 2 0 217.313 -0.408 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC(C)(C)CCC[NH3+] ZINC000579594449 366898942 /nfs/dbraw/zinc/89/89/42/366898942.db2.gz QAKJDWFQKWVJBO-SECBINFHSA-N 2 0 231.340 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC(C)(C)CCC[NH3+] ZINC000579594450 366898963 /nfs/dbraw/zinc/89/89/63/366898963.db2.gz QAKJDWFQKWVJBO-VIFPVBQESA-N 2 0 231.340 -0.016 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@H](C[NH3+])C1 ZINC000579601962 366901490 /nfs/dbraw/zinc/90/14/90/366901490.db2.gz JXFBZVLGMRBDBQ-GHMZBOCLSA-N 2 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@H](C[NH3+])C1 ZINC000579601963 366900901 /nfs/dbraw/zinc/90/09/01/366900901.db2.gz JXFBZVLGMRBDBQ-MNOVXSKESA-N 2 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C[NH3+])C1 ZINC000579601964 366901292 /nfs/dbraw/zinc/90/12/92/366901292.db2.gz JXFBZVLGMRBDBQ-QWRGUYRKSA-N 2 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](C[NH3+])C1 ZINC000579601965 366901358 /nfs/dbraw/zinc/90/13/58/366901358.db2.gz JXFBZVLGMRBDBQ-WDEREUQCSA-N 2 0 215.341 -0.373 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000579614627 366910602 /nfs/dbraw/zinc/91/06/02/366910602.db2.gz IXWZZAROEWGVTQ-VWYCJHECSA-N 2 0 238.335 -0.306 20 0 BBADRP O=C(COC1C[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000579709102 366986867 /nfs/dbraw/zinc/98/68/67/366986867.db2.gz SDLXSXGMEDDKBT-SECBINFHSA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(COC1C[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000579709104 366986885 /nfs/dbraw/zinc/98/68/85/366986885.db2.gz SDLXSXGMEDDKBT-VIFPVBQESA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@H]1CN(C(=O)c2ccnc(C[NH3+])c2)CC[NH2+]1 ZINC000579709641 366986795 /nfs/dbraw/zinc/98/67/95/366986795.db2.gz YNKIECJEXJVJFU-VIFPVBQESA-N 2 0 234.303 -0.026 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000579709896 366986955 /nfs/dbraw/zinc/98/69/55/366986955.db2.gz NDQRSYZFPNZUCT-GHMZBOCLSA-N 2 0 242.367 -0.606 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000579709897 366986959 /nfs/dbraw/zinc/98/69/59/366986959.db2.gz NDQRSYZFPNZUCT-MNOVXSKESA-N 2 0 242.367 -0.606 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000579709898 366986748 /nfs/dbraw/zinc/98/67/48/366986748.db2.gz NDQRSYZFPNZUCT-QWRGUYRKSA-N 2 0 242.367 -0.606 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000579709899 366986814 /nfs/dbraw/zinc/98/68/14/366986814.db2.gz NDQRSYZFPNZUCT-WDEREUQCSA-N 2 0 242.367 -0.606 20 0 BBADRP COCC1(CNC(=O)CCC[NH3+])CC[NH2+]CC1 ZINC000579711152 366988346 /nfs/dbraw/zinc/98/83/46/366988346.db2.gz GISWYODCWLWVPO-UHFFFAOYSA-N 2 0 243.351 -0.142 20 0 BBADRP C[C@@H](C[NH3+])N(C)CCC(=O)N1CC[NH2+]CC1 ZINC000579712983 366989056 /nfs/dbraw/zinc/98/90/56/366989056.db2.gz QUNCEDWRBCOGCN-JTQLQIEISA-N 2 0 228.340 -0.913 20 0 BBADRP C[C@H](C[NH3+])N(C)CCC(=O)N1CC[NH2+]CC1 ZINC000579712984 366989232 /nfs/dbraw/zinc/98/92/32/366989232.db2.gz QUNCEDWRBCOGCN-SNVBAGLBSA-N 2 0 228.340 -0.913 20 0 BBADRP C[N@H+](CCOCC[NH3+])C1(C(N)=O)CCCC1 ZINC000579714726 366989327 /nfs/dbraw/zinc/98/93/27/366989327.db2.gz QOKVEMAZNASQSF-UHFFFAOYSA-N 2 0 229.324 -0.308 20 0 BBADRP C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579716962 366990570 /nfs/dbraw/zinc/99/05/70/366990570.db2.gz WPQQKDRMCBCIFJ-BBBLOLIVSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]1CN(C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579716963 366990802 /nfs/dbraw/zinc/99/08/02/366990802.db2.gz WPQQKDRMCBCIFJ-LPEHRKFASA-N 2 0 211.309 -0.114 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN(C)CCNC(C)=O ZINC000579728116 366994758 /nfs/dbraw/zinc/99/47/58/366994758.db2.gz CVGPDTAPNGFDHW-LLVKDONJSA-N 2 0 231.340 -0.633 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN(C)CCNC(C)=O ZINC000579728118 366995274 /nfs/dbraw/zinc/99/52/74/366995274.db2.gz CVGPDTAPNGFDHW-NSHDSACASA-N 2 0 231.340 -0.633 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000579830674 367036906 /nfs/dbraw/zinc/03/69/06/367036906.db2.gz IASXQPKBWQXPBV-SECBINFHSA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000579830675 367036422 /nfs/dbraw/zinc/03/64/22/367036422.db2.gz IASXQPKBWQXPBV-VIFPVBQESA-N 2 0 227.308 -0.828 20 0 BBADRP COC[C@]1(CNC(=O)CC[C@H](C)[NH3+])CCC[NH2+]1 ZINC000579830816 367037155 /nfs/dbraw/zinc/03/71/55/367037155.db2.gz URJXPZHYQNOCFM-CMPLNLGQSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@@]1(CNC(=O)CC[C@H](C)[NH3+])CCC[NH2+]1 ZINC000579830817 367036578 /nfs/dbraw/zinc/03/65/78/367036578.db2.gz URJXPZHYQNOCFM-JQWIXIFHSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@@]1(CNC(=O)CC[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000579830818 367037145 /nfs/dbraw/zinc/03/71/45/367037145.db2.gz URJXPZHYQNOCFM-PWSUYJOCSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@]1(CNC(=O)CC[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000579830819 367036562 /nfs/dbraw/zinc/03/65/62/367036562.db2.gz URJXPZHYQNOCFM-ZYHUDNBSSA-N 2 0 243.351 -0.001 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579836584 367039009 /nfs/dbraw/zinc/03/90/09/367039009.db2.gz OOBHCRRTROFUKL-FBDQPXRJSA-N 2 0 223.320 -0.292 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579836585 367039424 /nfs/dbraw/zinc/03/94/24/367039424.db2.gz OOBHCRRTROFUKL-NZFPMDFQSA-N 2 0 223.320 -0.292 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579836586 367039151 /nfs/dbraw/zinc/03/91/51/367039151.db2.gz OOBHCRRTROFUKL-QUARPLMYSA-N 2 0 223.320 -0.292 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000579836587 367039956 /nfs/dbraw/zinc/03/99/56/367039956.db2.gz OOBHCRRTROFUKL-UVOCVTCTSA-N 2 0 223.320 -0.292 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N(CCOC)CC[NH+](C)C ZINC000579839777 367041871 /nfs/dbraw/zinc/04/18/71/367041871.db2.gz VGOGKQDTPHBWDE-SNVBAGLBSA-N 2 0 231.340 -0.240 20 0 BBADRP OCC1([NH2+]CCN2CC[NH2+]CC2)CCCC1 ZINC000579846943 367047214 /nfs/dbraw/zinc/04/72/14/367047214.db2.gz OUTSGYKZDNSASF-UHFFFAOYSA-N 2 0 227.352 -0.214 20 0 BBADRP CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000579861926 367058086 /nfs/dbraw/zinc/05/80/86/367058086.db2.gz YWGGVAXNRHIYHG-VIFPVBQESA-N 2 0 214.313 -0.449 20 0 BBADRP C[NH2+]CCNC(=O)COC1CCC([NH3+])CC1 ZINC000579950059 367097389 /nfs/dbraw/zinc/09/73/89/367097389.db2.gz QKJQWQZWPZQORS-UHFFFAOYSA-N 2 0 229.324 -0.392 20 0 BBADRP COC[C@]1(CNC(=O)C2([NH3+])CCC2)CCC[NH2+]1 ZINC000579950856 367098212 /nfs/dbraw/zinc/09/82/12/367098212.db2.gz YFIQVHKPCBJLHG-LLVKDONJSA-N 2 0 241.335 -0.247 20 0 BBADRP COC[C@@]1(CNC(=O)C2([NH3+])CCC2)CCC[NH2+]1 ZINC000579950857 367098276 /nfs/dbraw/zinc/09/82/76/367098276.db2.gz YFIQVHKPCBJLHG-NSHDSACASA-N 2 0 241.335 -0.247 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000579953555 367099732 /nfs/dbraw/zinc/09/97/32/367099732.db2.gz RRTBNMAFTYNLHL-ZJUUUORDSA-N 2 0 243.351 -0.064 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000579954753 367100835 /nfs/dbraw/zinc/10/08/35/367100835.db2.gz TVGICTNVAUVNAM-AXFHLTTASA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000579954754 367101083 /nfs/dbraw/zinc/10/10/83/367101083.db2.gz TVGICTNVAUVNAM-DCAQKATOSA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000579954755 367100803 /nfs/dbraw/zinc/10/08/03/367100803.db2.gz TVGICTNVAUVNAM-GARJFASQSA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000579954756 367101213 /nfs/dbraw/zinc/10/12/13/367101213.db2.gz TVGICTNVAUVNAM-HBNTYKKESA-N 2 0 240.351 -0.914 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000579956941 367102305 /nfs/dbraw/zinc/10/23/05/367102305.db2.gz XSBMBARFKSLYFY-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000579956942 367101911 /nfs/dbraw/zinc/10/19/11/367101911.db2.gz XSBMBARFKSLYFY-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000579956943 367102131 /nfs/dbraw/zinc/10/21/31/367102131.db2.gz XSBMBARFKSLYFY-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000579956944 367102509 /nfs/dbraw/zinc/10/25/09/367102509.db2.gz XSBMBARFKSLYFY-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP CC[NH+]1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000579960910 367103333 /nfs/dbraw/zinc/10/33/33/367103333.db2.gz SWOMKOOQUAMTPE-LLVKDONJSA-N 2 0 215.341 -0.406 20 0 BBADRP CC[NH+]1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000579960911 367103212 /nfs/dbraw/zinc/10/32/12/367103212.db2.gz SWOMKOOQUAMTPE-NSHDSACASA-N 2 0 215.341 -0.406 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000579971574 367110105 /nfs/dbraw/zinc/11/01/05/367110105.db2.gz FPFHDUBKDJWVHS-VIFPVBQESA-N 2 0 211.309 -0.099 20 0 BBADRP CO[C@@H]1CCN(C(=O)C[NH2+]C2CC2)[C@@H](C[NH3+])C1 ZINC000580063386 346505645 /nfs/dbraw/zinc/50/56/45/346505645.db2.gz RIXJXOXVAVHEEH-GHMZBOCLSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H]1CCN(C(=O)C[NH2+]C2CC2)[C@@H](C[NH3+])C1 ZINC000580063387 346505585 /nfs/dbraw/zinc/50/55/85/346505585.db2.gz RIXJXOXVAVHEEH-MNOVXSKESA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H]1CCN(C(=O)C[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000580063388 346505776 /nfs/dbraw/zinc/50/57/76/346505776.db2.gz RIXJXOXVAVHEEH-QWRGUYRKSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H]1CCN(C(=O)C[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000580063389 346505541 /nfs/dbraw/zinc/50/55/41/346505541.db2.gz RIXJXOXVAVHEEH-WDEREUQCSA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000580072103 346511726 /nfs/dbraw/zinc/51/17/26/346511726.db2.gz MIMWOVXSFAWGRF-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000580072104 346511907 /nfs/dbraw/zinc/51/19/07/346511907.db2.gz MIMWOVXSFAWGRF-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP [NH3+][C@H](CNC(=O)COC1C[NH2+]C1)c1ccccc1 ZINC000580072261 346511829 /nfs/dbraw/zinc/51/18/29/346511829.db2.gz XANWSACWJFPULR-GFCCVEGCSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@@H](CNC(=O)COC1C[NH2+]C1)c1ccccc1 ZINC000580072262 346511942 /nfs/dbraw/zinc/51/19/42/346511942.db2.gz XANWSACWJFPULR-LBPRGKRZSA-N 2 0 249.314 -0.209 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580075102 346510909 /nfs/dbraw/zinc/51/09/09/346510909.db2.gz UNHILZMTRBIBNY-FOGDFJRCSA-N 2 0 223.320 -0.051 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580075103 346511039 /nfs/dbraw/zinc/51/10/39/346511039.db2.gz UNHILZMTRBIBNY-SCVCMEIPSA-N 2 0 223.320 -0.051 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580075681 346513365 /nfs/dbraw/zinc/51/33/65/346513365.db2.gz OLPPQULNIAVJMT-JFGNBEQYSA-N 2 0 243.351 -0.018 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580075682 346513426 /nfs/dbraw/zinc/51/34/26/346513426.db2.gz OLPPQULNIAVJMT-SCVCMEIPSA-N 2 0 243.351 -0.018 20 0 BBADRP CCC(CC)(C[NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000580076108 346513388 /nfs/dbraw/zinc/51/33/88/346513388.db2.gz RWQTVTLXCMFCKY-JTQLQIEISA-N 2 0 243.351 -0.062 20 0 BBADRP CCC(CC)(C[NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000580076109 346513452 /nfs/dbraw/zinc/51/34/52/346513452.db2.gz RWQTVTLXCMFCKY-SNVBAGLBSA-N 2 0 243.351 -0.062 20 0 BBADRP [NH3+]CCC1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000580084473 346516610 /nfs/dbraw/zinc/51/66/10/346516610.db2.gz QXKMEXHHTPPPAA-UHFFFAOYSA-N 2 0 211.309 -0.207 20 0 BBADRP COC[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000580096659 346521909 /nfs/dbraw/zinc/52/19/09/346521909.db2.gz MBTOSXNJBJNEOD-GXSJLCMTSA-N 2 0 227.308 -0.909 20 0 BBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000580096660 346521841 /nfs/dbraw/zinc/52/18/41/346521841.db2.gz MBTOSXNJBJNEOD-ONGXEEELSA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(C[NH2+][C@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000580182150 346621603 /nfs/dbraw/zinc/62/16/03/346621603.db2.gz KGYYOCLDRFVTCO-JTQLQIEISA-N 2 0 243.376 -0.097 20 0 BBADRP O=C(C[NH2+][C@@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000580182151 346621659 /nfs/dbraw/zinc/62/16/59/346621659.db2.gz KGYYOCLDRFVTCO-SNVBAGLBSA-N 2 0 243.376 -0.097 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580183982 346628802 /nfs/dbraw/zinc/62/88/02/346628802.db2.gz NHELSPRMNWKCPV-IVZWLZJFSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580183983 346628910 /nfs/dbraw/zinc/62/89/10/346628910.db2.gz NHELSPRMNWKCPV-KXUCPTDWSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580183984 346629041 /nfs/dbraw/zinc/62/90/41/346629041.db2.gz NHELSPRMNWKCPV-LPEHRKFASA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580183985 346629874 /nfs/dbraw/zinc/62/98/74/346629874.db2.gz NHELSPRMNWKCPV-OPRDCNLKSA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000580192795 346647419 /nfs/dbraw/zinc/64/74/19/346647419.db2.gz ITICRUQHGVXRPK-JFGNBEQYSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000580192796 346647132 /nfs/dbraw/zinc/64/71/32/346647132.db2.gz ITICRUQHGVXRPK-UMNHJUIQSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000580193175 346647017 /nfs/dbraw/zinc/64/70/17/346647017.db2.gz LKLJIXYNEUQPTD-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000580193176 346646970 /nfs/dbraw/zinc/64/69/70/346646970.db2.gz LKLJIXYNEUQPTD-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000580193177 346647396 /nfs/dbraw/zinc/64/73/96/346647396.db2.gz LKLJIXYNEUQPTD-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000580193178 346647402 /nfs/dbraw/zinc/64/74/02/346647402.db2.gz LKLJIXYNEUQPTD-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]CC1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000580193267 346647941 /nfs/dbraw/zinc/64/79/41/346647941.db2.gz SQBGOSZMCHWVMP-PWSUYJOCSA-N 2 0 223.320 -0.064 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000580211455 346684906 /nfs/dbraw/zinc/68/49/06/346684906.db2.gz WYSBYPAVNSOEEE-BQBZGAKWSA-N 2 0 221.251 -0.292 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000580211456 346685310 /nfs/dbraw/zinc/68/53/10/346685310.db2.gz WYSBYPAVNSOEEE-NKWVEPMBSA-N 2 0 221.251 -0.292 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000580310785 346890992 /nfs/dbraw/zinc/89/09/92/346890992.db2.gz IQJSGQXUQRXOHI-BQBZGAKWSA-N 2 0 237.250 -0.927 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000580310786 346891287 /nfs/dbraw/zinc/89/12/87/346891287.db2.gz IQJSGQXUQRXOHI-NKWVEPMBSA-N 2 0 237.250 -0.927 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000580310787 346891275 /nfs/dbraw/zinc/89/12/75/346891275.db2.gz IQJSGQXUQRXOHI-RNFRBKRXSA-N 2 0 237.250 -0.927 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000580310788 346890734 /nfs/dbraw/zinc/89/07/34/346890734.db2.gz IQJSGQXUQRXOHI-RQJHMYQMSA-N 2 0 237.250 -0.927 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)O1 ZINC000580311089 346890648 /nfs/dbraw/zinc/89/06/48/346890648.db2.gz VZXKDFIWVHYJDX-ZNSHCXBVSA-N 2 0 239.319 -0.687 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000580314365 346897002 /nfs/dbraw/zinc/89/70/02/346897002.db2.gz OLTWTCFTPNAPGD-CHWFTXMASA-N 2 0 243.351 -0.208 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000580314366 346896757 /nfs/dbraw/zinc/89/67/57/346896757.db2.gz OLTWTCFTPNAPGD-VPOLOUISSA-N 2 0 243.351 -0.208 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000580314367 346897195 /nfs/dbraw/zinc/89/71/95/346897195.db2.gz OLTWTCFTPNAPGD-XWLWVQCSSA-N 2 0 243.351 -0.208 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000580314368 346896787 /nfs/dbraw/zinc/89/67/87/346896787.db2.gz OLTWTCFTPNAPGD-ZRUFSTJUSA-N 2 0 243.351 -0.208 20 0 BBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC[NH2+]CC1 ZINC000580324152 347039399 /nfs/dbraw/zinc/03/93/99/347039399.db2.gz CZOFVJXPNORBSB-CMPLNLGQSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[NH2+]CC1 ZINC000580324153 347039307 /nfs/dbraw/zinc/03/93/07/347039307.db2.gz CZOFVJXPNORBSB-JQWIXIFHSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCC[NH2+]CC1 ZINC000580324154 347039385 /nfs/dbraw/zinc/03/93/85/347039385.db2.gz CZOFVJXPNORBSB-PWSUYJOCSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC[NH2+]CC1 ZINC000580324155 347039148 /nfs/dbraw/zinc/03/91/48/347039148.db2.gz CZOFVJXPNORBSB-ZYHUDNBSSA-N 2 0 223.320 -0.192 20 0 BBADRP CN(CC[NH3+])C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000580324675 347046164 /nfs/dbraw/zinc/04/61/64/347046164.db2.gz BDYHYMUFIKNOPN-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP CN(CC[NH3+])C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000580324676 347046170 /nfs/dbraw/zinc/04/61/70/347046170.db2.gz BDYHYMUFIKNOPN-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580324962 347067865 /nfs/dbraw/zinc/06/78/65/347067865.db2.gz KDNAEIHNDCRGRK-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580324963 347067693 /nfs/dbraw/zinc/06/76/93/347067693.db2.gz KDNAEIHNDCRGRK-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580336780 350515218 /nfs/dbraw/zinc/51/52/18/350515218.db2.gz ZYKBMJQZGGGOFL-GRYCIOLGSA-N 2 0 227.352 -0.217 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580336781 350515319 /nfs/dbraw/zinc/51/53/19/350515319.db2.gz ZYKBMJQZGGGOFL-WOPDTQHZSA-N 2 0 227.352 -0.217 20 0 BBADRP COCCN(C)CC[NH2+]C[C@H](O)CSC ZINC000580423199 359536652 /nfs/dbraw/zinc/53/66/52/359536652.db2.gz IYJOTHZUTUUNRM-JTQLQIEISA-N 2 0 236.381 -0.122 20 0 BBADRP COCCN(C)CC[NH2+]C[C@@H](O)CSC ZINC000580423200 359536247 /nfs/dbraw/zinc/53/62/47/359536247.db2.gz IYJOTHZUTUUNRM-SNVBAGLBSA-N 2 0 236.381 -0.122 20 0 BBADRP COC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C(C)C ZINC000580431780 359543202 /nfs/dbraw/zinc/54/32/02/359543202.db2.gz CRNHWTOOBVHAJZ-LLVKDONJSA-N 2 0 243.351 -0.321 20 0 BBADRP COC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C(C)C ZINC000580431781 359542538 /nfs/dbraw/zinc/54/25/38/359542538.db2.gz CRNHWTOOBVHAJZ-NSHDSACASA-N 2 0 243.351 -0.321 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000580448419 359563605 /nfs/dbraw/zinc/56/36/05/359563605.db2.gz JXFKOPOGWKTBCL-AATLWQCWSA-N 2 0 229.324 -0.395 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000580448420 359563868 /nfs/dbraw/zinc/56/38/68/359563868.db2.gz JXFKOPOGWKTBCL-DOLQZWNJSA-N 2 0 229.324 -0.395 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000580448421 359563694 /nfs/dbraw/zinc/56/36/94/359563694.db2.gz JXFKOPOGWKTBCL-QCLAVDOMSA-N 2 0 229.324 -0.395 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000580448422 359563444 /nfs/dbraw/zinc/56/34/44/359563444.db2.gz JXFKOPOGWKTBCL-XFWSIPNHSA-N 2 0 229.324 -0.395 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580549629 365750944 /nfs/dbraw/zinc/75/09/44/365750944.db2.gz YUYKMEXQSSYNTM-BBBLOLIVSA-N 2 0 229.324 -0.408 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580549630 365750577 /nfs/dbraw/zinc/75/05/77/365750577.db2.gz YUYKMEXQSSYNTM-UTLUCORTSA-N 2 0 229.324 -0.408 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000580549645 365750937 /nfs/dbraw/zinc/75/09/37/365750937.db2.gz AAMGARJUGVXFKS-KATARQTJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000580549646 365750248 /nfs/dbraw/zinc/75/02/48/365750248.db2.gz AAMGARJUGVXFKS-QEYWKRMJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000580549647 365750883 /nfs/dbraw/zinc/75/08/83/365750883.db2.gz AAMGARJUGVXFKS-RGOKHQFPSA-N 2 0 211.309 -0.068 20 0 BBADRP [NH3+]CC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000580552168 365759006 /nfs/dbraw/zinc/75/90/06/365759006.db2.gz VLCKHZVLSOYNNZ-UHFFFAOYSA-N 2 0 222.292 -0.364 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000580552416 365758833 /nfs/dbraw/zinc/75/88/33/365758833.db2.gz UTRHQYNWVSDIAC-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000580552417 365758767 /nfs/dbraw/zinc/75/87/67/365758767.db2.gz UTRHQYNWVSDIAC-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000580552418 365758439 /nfs/dbraw/zinc/75/84/39/365758439.db2.gz UTRHQYNWVSDIAC-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000580552419 365758479 /nfs/dbraw/zinc/75/84/79/365758479.db2.gz UTRHQYNWVSDIAC-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580552534 365759022 /nfs/dbraw/zinc/75/90/22/365759022.db2.gz GMLSTUDLZLZMBD-KXUCPTDWSA-N 2 0 241.335 -0.251 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580552535 365758805 /nfs/dbraw/zinc/75/88/05/365758805.db2.gz GMLSTUDLZLZMBD-UTLUCORTSA-N 2 0 241.335 -0.251 20 0 BBADRP CC[NH+]1CCN(CCNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000580582691 365793715 /nfs/dbraw/zinc/79/37/15/365793715.db2.gz QEQKTZUPHUGKPN-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP CC[NH+](CC)CC[C@H](CO)NC(=O)C[NH+](C)C ZINC000580601362 365808843 /nfs/dbraw/zinc/80/88/43/365808843.db2.gz FWJROQQRQXQGIR-LLVKDONJSA-N 2 0 245.367 -0.243 20 0 BBADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)C[NH+](C)C ZINC000580601363 365809664 /nfs/dbraw/zinc/80/96/64/365809664.db2.gz FWJROQQRQXQGIR-NSHDSACASA-N 2 0 245.367 -0.243 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000580645761 365841900 /nfs/dbraw/zinc/84/19/00/365841900.db2.gz XOCGMUVEYRRXMH-PSASIEDQSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000580645762 365841410 /nfs/dbraw/zinc/84/14/10/365841410.db2.gz XOCGMUVEYRRXMH-SCZZXKLOSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000580645763 365841717 /nfs/dbraw/zinc/84/17/17/365841717.db2.gz XOCGMUVEYRRXMH-WCBMZHEXSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000580645764 365841337 /nfs/dbraw/zinc/84/13/37/365841337.db2.gz XOCGMUVEYRRXMH-WPRPVWTQSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[NH2+]1)C(F)F ZINC000580647579 365843101 /nfs/dbraw/zinc/84/31/01/365843101.db2.gz ZEHKRGUSULCSIV-NKWVEPMBSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C(F)F ZINC000580647581 365843367 /nfs/dbraw/zinc/84/33/67/365843367.db2.gz ZEHKRGUSULCSIV-RNFRBKRXSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+]CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000580647615 365843373 /nfs/dbraw/zinc/84/33/73/365843373.db2.gz JMQOVUXQARUTMV-MRVPVSSYSA-N 2 0 220.276 -0.205 20 0 BBADRP [NH3+]CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000580647617 365843578 /nfs/dbraw/zinc/84/35/78/365843578.db2.gz JMQOVUXQARUTMV-QMMMGPOBSA-N 2 0 220.276 -0.205 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NCC[C@H]1CCC[NH2+]1 ZINC000580709301 367146036 /nfs/dbraw/zinc/14/60/36/367146036.db2.gz NHBUMBZYFJSNDG-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000580713170 367148142 /nfs/dbraw/zinc/14/81/42/367148142.db2.gz TYSYXVKKRPBIFC-LLVKDONJSA-N 2 0 242.367 -0.619 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000580713931 346604982 /nfs/dbraw/zinc/60/49/82/346604982.db2.gz DLBJRNXKTDTPPW-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000580713933 346604640 /nfs/dbraw/zinc/60/46/40/346604640.db2.gz DLBJRNXKTDTPPW-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000580715793 346696145 /nfs/dbraw/zinc/69/61/45/346696145.db2.gz WZIVRAUIKKSAEO-CSMHCCOUSA-N 2 0 231.296 -0.881 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000580715794 346696061 /nfs/dbraw/zinc/69/60/61/346696061.db2.gz WZIVRAUIKKSAEO-FXQIFTODSA-N 2 0 231.296 -0.881 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000580715795 346696193 /nfs/dbraw/zinc/69/61/93/346696193.db2.gz WZIVRAUIKKSAEO-PRJMDXOYSA-N 2 0 231.296 -0.881 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000580715796 346696618 /nfs/dbraw/zinc/69/66/18/346696618.db2.gz WZIVRAUIKKSAEO-RNJXMRFFSA-N 2 0 231.296 -0.881 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000580769107 366803835 /nfs/dbraw/zinc/80/38/35/366803835.db2.gz SPXLWYNZXXLSAP-GHMZBOCLSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000580769108 366804430 /nfs/dbraw/zinc/80/44/30/366804430.db2.gz SPXLWYNZXXLSAP-MNOVXSKESA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000580769152 366803680 /nfs/dbraw/zinc/80/36/80/366803680.db2.gz SPXLWYNZXXLSAP-QWRGUYRKSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000580769153 366804125 /nfs/dbraw/zinc/80/41/25/366804125.db2.gz SPXLWYNZXXLSAP-WDEREUQCSA-N 2 0 240.351 -0.994 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000580773767 367162892 /nfs/dbraw/zinc/16/28/92/367162892.db2.gz HZKRTOZXVRATKZ-MRVPVSSYSA-N 2 0 220.276 -0.072 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000580773771 367163016 /nfs/dbraw/zinc/16/30/16/367163016.db2.gz HZKRTOZXVRATKZ-QMMMGPOBSA-N 2 0 220.276 -0.072 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000580775155 367162699 /nfs/dbraw/zinc/16/26/99/367162699.db2.gz PWVNZAUAXXPKDM-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000580775156 367163002 /nfs/dbraw/zinc/16/30/02/367163002.db2.gz PWVNZAUAXXPKDM-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP CC[NH2+]CCNC(=O)COC1CCC([NH3+])CC1 ZINC000580832747 367181609 /nfs/dbraw/zinc/18/16/09/367181609.db2.gz ZHNGSLFGVSKISV-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP COCCNCC[NH2+]CC1CC[NH2+]CC1 ZINC000580834016 367182683 /nfs/dbraw/zinc/18/26/83/367182683.db2.gz IWUZQPWMCOCCIK-UHFFFAOYSA-N 2 0 215.341 -0.188 20 0 BBADRP C[C@@H](CNC(=O)COC1C[NH2+]C1)[NH+]1CCCC1 ZINC000580891233 367198684 /nfs/dbraw/zinc/19/86/84/367198684.db2.gz HXUQRSCGWRGAKC-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H](CNC(=O)COC1C[NH2+]C1)[NH+]1CCCC1 ZINC000580891238 367198849 /nfs/dbraw/zinc/19/88/49/367198849.db2.gz HXUQRSCGWRGAKC-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP CC(C)(C)[C@@H](CN)[NH2+]CCN1CC[NH2+]CC1 ZINC000580893034 367200633 /nfs/dbraw/zinc/20/06/33/367200633.db2.gz CFLZKERNYNETAM-LLVKDONJSA-N 2 0 228.384 -0.145 20 0 BBADRP CC(C)(C)[C@H](CN)[NH2+]CCN1CC[NH2+]CC1 ZINC000580893036 367200217 /nfs/dbraw/zinc/20/02/17/367200217.db2.gz CFLZKERNYNETAM-NSHDSACASA-N 2 0 228.384 -0.145 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)O1 ZINC000580951028 367214245 /nfs/dbraw/zinc/21/42/45/367214245.db2.gz QDXTVPDZVJWJON-AXFHLTTASA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)O1 ZINC000580951029 367214212 /nfs/dbraw/zinc/21/42/12/367214212.db2.gz QDXTVPDZVJWJON-MXWKQRLJSA-N 2 0 241.335 -0.392 20 0 BBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000580951427 367214036 /nfs/dbraw/zinc/21/40/36/367214036.db2.gz RACPKMHLVWCUOE-GHMZBOCLSA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000580951428 367214390 /nfs/dbraw/zinc/21/43/90/367214390.db2.gz RACPKMHLVWCUOE-MNOVXSKESA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000580951429 367214159 /nfs/dbraw/zinc/21/41/59/367214159.db2.gz RACPKMHLVWCUOE-QWRGUYRKSA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)C[C@H]1COCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000580951430 367213979 /nfs/dbraw/zinc/21/39/79/367213979.db2.gz RACPKMHLVWCUOE-WDEREUQCSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@]1(C(=O)NCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000580952332 367215579 /nfs/dbraw/zinc/21/55/79/367215579.db2.gz XUFMBOLDWJAETM-GFCCVEGCSA-N 2 0 240.351 -0.850 20 0 BBADRP C[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000580952337 367215467 /nfs/dbraw/zinc/21/54/67/367215467.db2.gz XUFMBOLDWJAETM-LBPRGKRZSA-N 2 0 240.351 -0.850 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000580953112 367215692 /nfs/dbraw/zinc/21/56/92/367215692.db2.gz UMRSXRCYEINEPM-MNOVXSKESA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000580953113 367215495 /nfs/dbraw/zinc/21/54/95/367215495.db2.gz UMRSXRCYEINEPM-QWRGUYRKSA-N 2 0 240.351 -0.852 20 0 BBADRP [NH3+]CCC1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000580959647 367218537 /nfs/dbraw/zinc/21/85/37/367218537.db2.gz WIRRZCQCSBDHQH-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000581006471 367231603 /nfs/dbraw/zinc/23/16/03/367231603.db2.gz AGYWDKRHEYVSLA-SECBINFHSA-N 2 0 227.308 -0.780 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000581006473 367231464 /nfs/dbraw/zinc/23/14/64/367231464.db2.gz AGYWDKRHEYVSLA-VIFPVBQESA-N 2 0 227.308 -0.780 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000581010025 367233958 /nfs/dbraw/zinc/23/39/58/367233958.db2.gz SWLLJZJMAYHBBO-GFCCVEGCSA-N 2 0 241.335 -0.566 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000581010026 367234306 /nfs/dbraw/zinc/23/43/06/367234306.db2.gz SWLLJZJMAYHBBO-LBPRGKRZSA-N 2 0 241.335 -0.566 20 0 BBADRP COC[C@]1(CNC(=O)CCC[NH3+])CCC[NH2+]1 ZINC000581010810 367234132 /nfs/dbraw/zinc/23/41/32/367234132.db2.gz VHQIRDKVROITDQ-LLVKDONJSA-N 2 0 229.324 -0.390 20 0 BBADRP COC[C@@]1(CNC(=O)CCC[NH3+])CCC[NH2+]1 ZINC000581010812 367234248 /nfs/dbraw/zinc/23/42/48/367234248.db2.gz VHQIRDKVROITDQ-NSHDSACASA-N 2 0 229.324 -0.390 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581011723 367234463 /nfs/dbraw/zinc/23/44/63/367234463.db2.gz VMGAWEKADMWPLP-MXWKQRLJSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581011724 367233997 /nfs/dbraw/zinc/23/39/97/367233997.db2.gz VMGAWEKADMWPLP-VWYCJHECSA-N 2 0 239.319 -0.815 20 0 BBADRP CC[NH+]1CCC(NC(=O)CN(C)CC[NH3+])CC1 ZINC000581014175 367235675 /nfs/dbraw/zinc/23/56/75/367235675.db2.gz QUNFFWRVWQJIJX-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCF)CC1 ZINC000581068085 367251223 /nfs/dbraw/zinc/25/12/23/367251223.db2.gz XWPOGDIGBIBEKW-GFCCVEGCSA-N 2 0 247.358 -0.066 20 0 BBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCF)CC1 ZINC000581068086 367250618 /nfs/dbraw/zinc/25/06/18/367250618.db2.gz XWPOGDIGBIBEKW-LBPRGKRZSA-N 2 0 247.358 -0.066 20 0 BBADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000581131325 367272241 /nfs/dbraw/zinc/27/22/41/367272241.db2.gz OXNFULPFHZEUMZ-GFCCVEGCSA-N 2 0 249.314 -0.137 20 0 BBADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000581131326 367272004 /nfs/dbraw/zinc/27/20/04/367272004.db2.gz OXNFULPFHZEUMZ-LBPRGKRZSA-N 2 0 249.314 -0.137 20 0 BBADRP CN(C(=O)N[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000581143484 367276849 /nfs/dbraw/zinc/27/68/49/367276849.db2.gz PRONMWVRMOFPEQ-VIFPVBQESA-N 2 0 226.324 -0.258 20 0 BBADRP COCCC[NH+]1CCC([NH2+]CCC(N)=O)CC1 ZINC000581186300 367286895 /nfs/dbraw/zinc/28/68/95/367286895.db2.gz PVPDSYDEGMSODV-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CN(CC[NH3+])C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000581250380 367309594 /nfs/dbraw/zinc/30/95/94/367309594.db2.gz JMRMAQUVWVELIT-SECBINFHSA-N 2 0 211.309 -0.207 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000581250383 367309475 /nfs/dbraw/zinc/30/94/75/367309475.db2.gz JMRMAQUVWVELIT-VIFPVBQESA-N 2 0 211.309 -0.207 20 0 BBADRP [NH3+]CC1(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000581251336 367309179 /nfs/dbraw/zinc/30/91/79/367309179.db2.gz NUMXNDFKGUISTR-GFCCVEGCSA-N 3 0 238.379 -0.295 20 0 BBADRP [NH3+]CC1(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000581251337 367309581 /nfs/dbraw/zinc/30/95/81/367309581.db2.gz NUMXNDFKGUISTR-LBPRGKRZSA-N 3 0 238.379 -0.295 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000581251918 367309131 /nfs/dbraw/zinc/30/91/31/367309131.db2.gz FNKXLGBGDPQPNN-AEJSXWLSSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000581251919 367308845 /nfs/dbraw/zinc/30/88/45/367308845.db2.gz FNKXLGBGDPQPNN-GUBZILKMSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000581251920 367309448 /nfs/dbraw/zinc/30/94/48/367309448.db2.gz FNKXLGBGDPQPNN-IVZWLZJFSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000581251921 367309787 /nfs/dbraw/zinc/30/97/87/367309787.db2.gz FNKXLGBGDPQPNN-LPEHRKFASA-N 2 0 229.324 -0.393 20 0 BBADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H](C[NH3+])C1CC1 ZINC000581252250 367310456 /nfs/dbraw/zinc/31/04/56/367310456.db2.gz ORXOMWOAVKZXJM-AEJSXWLSSA-N 2 0 211.309 -0.081 20 0 BBADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H](C[NH3+])C1CC1 ZINC000581252252 367310565 /nfs/dbraw/zinc/31/05/65/367310565.db2.gz ORXOMWOAVKZXJM-KXUCPTDWSA-N 2 0 211.309 -0.081 20 0 BBADRP COCC1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]CC1 ZINC000581309173 367337075 /nfs/dbraw/zinc/33/70/75/367337075.db2.gz AGFHPPZZXXFEJR-UHFFFAOYSA-N 2 0 243.351 -0.144 20 0 BBADRP O=C(COC1C[NH2+]C1)NCC[C@@H]1CCC[NH2+]C1 ZINC000581309362 367336569 /nfs/dbraw/zinc/33/65/69/367336569.db2.gz NUCFDICRXODHPX-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(COC1C[NH2+]C1)NCC[C@H]1CCC[NH2+]C1 ZINC000581309363 367336084 /nfs/dbraw/zinc/33/60/84/367336084.db2.gz NUCFDICRXODHPX-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CCCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000581309538 367338437 /nfs/dbraw/zinc/33/84/37/367338437.db2.gz ZSNIAHFKDUZUKO-UHFFFAOYSA-N 2 0 229.324 -0.436 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000581309818 350673631 /nfs/dbraw/zinc/67/36/31/350673631.db2.gz SGKRJVBFDPBABA-BDAKNGLRSA-N 2 0 245.323 -0.619 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000581309819 350673588 /nfs/dbraw/zinc/67/35/88/350673588.db2.gz SGKRJVBFDPBABA-RKDXNWHRSA-N 2 0 245.323 -0.619 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000581310699 367338873 /nfs/dbraw/zinc/33/88/73/367338873.db2.gz LJMYILZXDXQGDV-FOGDFJRCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000581310700 367340008 /nfs/dbraw/zinc/34/00/08/367340008.db2.gz LJMYILZXDXQGDV-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP CC(C)(C)[NH2+]CCNC(=O)CCOC1C[NH2+]C1 ZINC000581368265 367399050 /nfs/dbraw/zinc/39/90/50/367399050.db2.gz XFYMEKOIWUABDY-UHFFFAOYSA-N 2 0 243.351 -0.131 20 0 BBADRP O=C(CCOC1C[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581369178 367402259 /nfs/dbraw/zinc/40/22/59/367402259.db2.gz JCSDKCPEMZTNEV-KOLCDFICSA-N 2 0 239.319 -0.815 20 0 BBADRP COCC[NH2+]CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000581427788 346908560 /nfs/dbraw/zinc/90/85/60/346908560.db2.gz MHDHOTYPRCIDJD-NXEZZACHSA-N 2 0 246.355 -0.353 20 0 BBADRP COCC[NH2+]CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000581427789 346908513 /nfs/dbraw/zinc/90/85/13/346908513.db2.gz MHDHOTYPRCIDJD-UWVGGRQHSA-N 2 0 246.355 -0.353 20 0 BBADRP COCC[NH2+]CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000581427790 346908447 /nfs/dbraw/zinc/90/84/47/346908447.db2.gz MHDHOTYPRCIDJD-VHSXEESVSA-N 2 0 246.355 -0.353 20 0 BBADRP COCC[NH2+]CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000581427791 346908241 /nfs/dbraw/zinc/90/82/41/346908241.db2.gz MHDHOTYPRCIDJD-ZJUUUORDSA-N 2 0 246.355 -0.353 20 0 BBADRP COCCCCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000581428170 367467181 /nfs/dbraw/zinc/46/71/81/367467181.db2.gz LVNGZSWOVCCQHZ-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP COCCCCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000581428171 367466892 /nfs/dbraw/zinc/46/68/92/367466892.db2.gz LVNGZSWOVCCQHZ-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC12CC[NH2+]CC2 ZINC000581428359 367466744 /nfs/dbraw/zinc/46/67/44/367466744.db2.gz AYRQJFYSJMBUFO-YTWAJWBKSA-N 2 0 235.331 -0.290 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC12CC[NH2+]CC2 ZINC000581428360 367467084 /nfs/dbraw/zinc/46/70/84/367467084.db2.gz AYRQJFYSJMBUFO-ZRUFSTJUSA-N 2 0 235.331 -0.290 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000581428684 367466580 /nfs/dbraw/zinc/46/65/80/367466580.db2.gz XYIKCCLMUYOWGQ-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000581430075 367468355 /nfs/dbraw/zinc/46/83/55/367468355.db2.gz GXYQRMSHIJGGAE-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000581430076 367468407 /nfs/dbraw/zinc/46/84/07/367468407.db2.gz GXYQRMSHIJGGAE-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000581486770 367517823 /nfs/dbraw/zinc/51/78/23/367517823.db2.gz BHCVBULJLVGZQR-MRVPVSSYSA-N 2 0 217.313 -0.536 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000581486771 367517860 /nfs/dbraw/zinc/51/78/60/367517860.db2.gz BHCVBULJLVGZQR-QMMMGPOBSA-N 2 0 217.313 -0.536 20 0 BBADRP CCCN(C(=O)[C@@H](C[NH3+])OC)C1CC[NH2+]CC1 ZINC000581487879 367519074 /nfs/dbraw/zinc/51/90/74/367519074.db2.gz VKHCMKIYGGUQCV-LLVKDONJSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCN(C(=O)[C@H](C[NH3+])OC)C1CC[NH2+]CC1 ZINC000581487880 367519435 /nfs/dbraw/zinc/51/94/35/367519435.db2.gz VKHCMKIYGGUQCV-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000581500237 367528075 /nfs/dbraw/zinc/52/80/75/367528075.db2.gz KZXPBTVUAARXKX-QMMMGPOBSA-N 2 0 214.313 -0.225 20 0 BBADRP COC[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000581543041 367568063 /nfs/dbraw/zinc/56/80/63/367568063.db2.gz BCJRNSLVJLAEIM-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP COC[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000581543042 367568548 /nfs/dbraw/zinc/56/85/48/367568548.db2.gz BCJRNSLVJLAEIM-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)C1([NH3+])CC1)C(F)F ZINC000581549307 367578674 /nfs/dbraw/zinc/57/86/74/367578674.db2.gz KLUQGBXTACBUGN-RXMQYKEDSA-N 2 0 207.224 -0.424 20 0 BBADRP [NH3+]CC[C@H](NC(=O)C1([NH3+])CC1)C(F)F ZINC000581549308 367578221 /nfs/dbraw/zinc/57/82/21/367578221.db2.gz KLUQGBXTACBUGN-YFKPBYRVSA-N 2 0 207.224 -0.424 20 0 BBADRP CN(C(=O)CC[NH2+]C1CC1)[C@H]1CC[NH2+]C1 ZINC000581558392 367589803 /nfs/dbraw/zinc/58/98/03/367589803.db2.gz OTPJVKFBHOFDTJ-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)CC[NH2+]C1CC1)[C@@H]1CC[NH2+]C1 ZINC000581558393 367589729 /nfs/dbraw/zinc/58/97/29/367589729.db2.gz OTPJVKFBHOFDTJ-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCCO1 ZINC000581560074 367589832 /nfs/dbraw/zinc/58/98/32/367589832.db2.gz UPQZHBCILCKTSL-UWVGGRQHSA-N 2 0 242.323 -0.893 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCCO1 ZINC000581560075 367589770 /nfs/dbraw/zinc/58/97/70/367589770.db2.gz UPQZHBCILCKTSL-VHSXEESVSA-N 2 0 242.323 -0.893 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000581606355 367630010 /nfs/dbraw/zinc/63/00/10/367630010.db2.gz GJJULONQCJGOEV-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000581606356 367630345 /nfs/dbraw/zinc/63/03/45/367630345.db2.gz GJJULONQCJGOEV-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000581606560 367630281 /nfs/dbraw/zinc/63/02/81/367630281.db2.gz TZZDZTYTCHQYKP-BDAKNGLRSA-N 2 0 216.329 -0.027 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000581606561 367630094 /nfs/dbraw/zinc/63/00/94/367630094.db2.gz TZZDZTYTCHQYKP-DTWKUNHWSA-N 2 0 216.329 -0.027 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000581606562 367630617 /nfs/dbraw/zinc/63/06/17/367630617.db2.gz TZZDZTYTCHQYKP-IUCAKERBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000581606563 367630490 /nfs/dbraw/zinc/63/04/90/367630490.db2.gz TZZDZTYTCHQYKP-RKDXNWHRSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[NH2+]1 ZINC000581609161 367631863 /nfs/dbraw/zinc/63/18/63/367631863.db2.gz SJRPHHFVEWRWEN-BFLSOPEQSA-N 2 0 223.320 -0.005 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[NH2+]1 ZINC000581609162 367632273 /nfs/dbraw/zinc/63/22/73/367632273.db2.gz SJRPHHFVEWRWEN-SVDPJWKOSA-N 2 0 223.320 -0.005 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[NH2+]1 ZINC000581609163 367631592 /nfs/dbraw/zinc/63/15/92/367631592.db2.gz SJRPHHFVEWRWEN-WYFGTUCQSA-N 2 0 223.320 -0.005 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[NH2+]1 ZINC000581609164 367631624 /nfs/dbraw/zinc/63/16/24/367631624.db2.gz SJRPHHFVEWRWEN-XNDJQWLSSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC1CC[NH2+]CC1 ZINC000581720800 367783669 /nfs/dbraw/zinc/78/36/69/367783669.db2.gz BYKLZMCRSTWDIO-LLVKDONJSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NCC1CC[NH2+]CC1 ZINC000581720801 367783957 /nfs/dbraw/zinc/78/39/57/367783957.db2.gz BYKLZMCRSTWDIO-NSHDSACASA-N 2 0 241.335 -0.519 20 0 BBADRP CC(C)([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000581724916 367789068 /nfs/dbraw/zinc/78/90/68/367789068.db2.gz HJHMCVMGWUHABM-UHFFFAOYSA-N 2 0 228.340 -0.865 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2CC[NH2+]CC2)O1 ZINC000581724988 367789007 /nfs/dbraw/zinc/78/90/07/367789007.db2.gz MBWFFYMTMMZXQD-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP COC1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000581727123 367792874 /nfs/dbraw/zinc/79/28/74/367792874.db2.gz IPSFKEBJAVOUHH-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP COC1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000581727124 367792471 /nfs/dbraw/zinc/79/24/71/367792471.db2.gz IPSFKEBJAVOUHH-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581823266 367831052 /nfs/dbraw/zinc/83/10/52/367831052.db2.gz WHCODRFNMQJYEB-GHMZBOCLSA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581823267 367831469 /nfs/dbraw/zinc/83/14/69/367831469.db2.gz WHCODRFNMQJYEB-MNOVXSKESA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581823268 367831579 /nfs/dbraw/zinc/83/15/79/367831579.db2.gz WHCODRFNMQJYEB-QWRGUYRKSA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581823269 367830832 /nfs/dbraw/zinc/83/08/32/367830832.db2.gz WHCODRFNMQJYEB-WDEREUQCSA-N 2 0 243.351 -0.273 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NCCNc1cnccn1 ZINC000581878621 412259642 /nfs/dbraw/zinc/25/96/42/412259642.db2.gz SSLMGUVPWOCHET-QWRGUYRKSA-N 2 0 235.335 0.476 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CCC[NH2+]1 ZINC000581879221 367865916 /nfs/dbraw/zinc/86/59/16/367865916.db2.gz YLIRGYVKNGXXAI-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CCC[NH2+]1 ZINC000581879222 367866008 /nfs/dbraw/zinc/86/60/08/367866008.db2.gz YLIRGYVKNGXXAI-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCC[NH2+]1 ZINC000581879223 367866021 /nfs/dbraw/zinc/86/60/21/367866021.db2.gz YLIRGYVKNGXXAI-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CCC[NH2+]1 ZINC000581879224 367865873 /nfs/dbraw/zinc/86/58/73/367865873.db2.gz YLIRGYVKNGXXAI-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@H](C[NH2+]C[C@H](C)O)CN1CC[NH+](C)CC1 ZINC000581880214 367866900 /nfs/dbraw/zinc/86/69/00/367866900.db2.gz XFPFDBFLPRBQGM-NEPJUHHUSA-N 2 0 229.368 -0.160 20 0 BBADRP C[C@H](O)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000581880215 367866645 /nfs/dbraw/zinc/86/66/45/367866645.db2.gz XFPFDBFLPRBQGM-RYUDHWBXSA-N 2 0 229.368 -0.160 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000581883526 367873773 /nfs/dbraw/zinc/87/37/73/367873773.db2.gz LBQWEWRNHNWESU-JTQLQIEISA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC[C@H]1C[NH2+]CCO1 ZINC000581883527 367873990 /nfs/dbraw/zinc/87/39/90/367873990.db2.gz LBQWEWRNHNWESU-SNVBAGLBSA-N 2 0 227.308 -0.909 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000581883584 342867012 /nfs/dbraw/zinc/86/70/12/342867012.db2.gz OEJRJZXHLXCKPQ-CIUDSAMLSA-N 2 0 243.307 -0.928 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000581883585 342866992 /nfs/dbraw/zinc/86/69/92/342866992.db2.gz OEJRJZXHLXCKPQ-HLTSFMKQSA-N 2 0 243.307 -0.928 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000581883586 342867004 /nfs/dbraw/zinc/86/70/04/342867004.db2.gz OEJRJZXHLXCKPQ-VGMNWLOBSA-N 2 0 243.307 -0.928 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000581883587 342867014 /nfs/dbraw/zinc/86/70/14/342867014.db2.gz OEJRJZXHLXCKPQ-YIZRAAEISA-N 2 0 243.307 -0.928 20 0 BBADRP [NH3+]Cc1ccc(CNC(=O)COC2C[NH2+]C2)cc1 ZINC000581885766 367876972 /nfs/dbraw/zinc/87/69/72/367876972.db2.gz KBKNEVYPSCJEID-UHFFFAOYSA-N 2 0 249.314 -0.250 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000581938413 367965485 /nfs/dbraw/zinc/96/54/85/367965485.db2.gz XFJVZORQQXDRAU-BDAKNGLRSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000581938414 367965846 /nfs/dbraw/zinc/96/58/46/367965846.db2.gz XFJVZORQQXDRAU-DTWKUNHWSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000581938415 367966015 /nfs/dbraw/zinc/96/60/15/367966015.db2.gz XFJVZORQQXDRAU-IUCAKERBSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000581938416 367965684 /nfs/dbraw/zinc/96/56/84/367965684.db2.gz XFJVZORQQXDRAU-RKDXNWHRSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000581938431 367966108 /nfs/dbraw/zinc/96/61/08/367966108.db2.gz ABGHJPXZZOGENC-GARJFASQSA-N 2 0 241.335 -0.521 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000581938432 367965861 /nfs/dbraw/zinc/96/58/61/367965861.db2.gz ABGHJPXZZOGENC-OUAUKWLOSA-N 2 0 241.335 -0.521 20 0 BBADRP [NH3+]CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000581942245 367968246 /nfs/dbraw/zinc/96/82/46/367968246.db2.gz GHXOXOVQNHFPQA-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC[NH2+]1 ZINC000581944538 367971219 /nfs/dbraw/zinc/97/12/19/367971219.db2.gz AQLJDZCJTRFBPT-NGZCFLSTSA-N 2 0 209.293 -0.441 20 0 BBADRP CC1(NC(=O)COC2C[NH2+]C2)CC[NH2+]CC1 ZINC000581944728 367973083 /nfs/dbraw/zinc/97/30/83/367973083.db2.gz HLXBUZLHBDFCME-UHFFFAOYSA-N 2 0 227.308 -0.767 20 0 BBADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000581944737 367972510 /nfs/dbraw/zinc/97/25/10/367972510.db2.gz HSUUOERWOUQJIH-MTBHXBHISA-N 2 0 218.260 -0.558 20 0 BBADRP C[NH+](C)[C@@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000582000677 368108030 /nfs/dbraw/zinc/10/80/30/368108030.db2.gz XCEITACZOSDOJE-SECBINFHSA-N 2 0 227.308 -0.863 20 0 BBADRP C[NH+](C)[C@H]1CCN(C(=O)COC2C[NH2+]C2)C1 ZINC000582000678 368107921 /nfs/dbraw/zinc/10/79/21/368107921.db2.gz XCEITACZOSDOJE-VIFPVBQESA-N 2 0 227.308 -0.863 20 0 BBADRP [NH3+]C1(C(=O)NCCNc2cc[nH+]cc2)CCC1 ZINC000582001030 368112019 /nfs/dbraw/zinc/11/20/19/368112019.db2.gz RSMJKGIAQCVCCM-UHFFFAOYSA-N 2 0 234.303 -0.087 20 0 BBADRP [NH3+]Cc1nnnn1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000582001466 368118845 /nfs/dbraw/zinc/11/88/45/368118845.db2.gz SNZLFCAWTDUAEW-KYZUINATSA-N 2 0 224.312 -0.103 20 0 BBADRP NCC(F)(F)CNC(=O)C1([NH3+])CCC1 ZINC000582002145 368122825 /nfs/dbraw/zinc/12/28/25/368122825.db2.gz LLNXZYTWOPQURW-UHFFFAOYSA-N 2 0 207.224 -0.422 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000582057572 347152474 /nfs/dbraw/zinc/15/24/74/347152474.db2.gz UMCVAIOVESZQCZ-LURQLKTLSA-N 2 0 215.297 -0.785 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000582057573 347152497 /nfs/dbraw/zinc/15/24/97/347152497.db2.gz UMCVAIOVESZQCZ-RYPBNFRJSA-N 2 0 215.297 -0.785 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000582057574 347152818 /nfs/dbraw/zinc/15/28/18/347152818.db2.gz UMCVAIOVESZQCZ-UYXSQOIJSA-N 2 0 215.297 -0.785 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000582057575 347152485 /nfs/dbraw/zinc/15/24/85/347152485.db2.gz UMCVAIOVESZQCZ-XSPKLOCKSA-N 2 0 215.297 -0.785 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)O1 ZINC000582061676 347155961 /nfs/dbraw/zinc/15/59/61/347155961.db2.gz KYWPCYMLJITFQZ-AEJSXWLSSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)O1 ZINC000582061677 347155983 /nfs/dbraw/zinc/15/59/83/347155983.db2.gz KYWPCYMLJITFQZ-BBBLOLIVSA-N 2 0 227.308 -0.639 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000582061733 347156034 /nfs/dbraw/zinc/15/60/34/347156034.db2.gz QKRZSTUUMGZZIT-GUBZILKMSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000582061734 347155925 /nfs/dbraw/zinc/15/59/25/347155925.db2.gz QKRZSTUUMGZZIT-KXUCPTDWSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000582061735 347155672 /nfs/dbraw/zinc/15/56/72/347155672.db2.gz QKRZSTUUMGZZIT-LPEHRKFASA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000582061736 347156102 /nfs/dbraw/zinc/15/61/02/347156102.db2.gz QKRZSTUUMGZZIT-UTLUCORTSA-N 2 0 229.324 -0.536 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000582063990 347158422 /nfs/dbraw/zinc/15/84/22/347158422.db2.gz OOKGNDPRFIENSZ-CHWFTXMASA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000582063991 347158226 /nfs/dbraw/zinc/15/82/26/347158226.db2.gz OOKGNDPRFIENSZ-MMWGEVLESA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000582063992 347158407 /nfs/dbraw/zinc/15/84/07/347158407.db2.gz OOKGNDPRFIENSZ-UKKRHICBSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000582063993 347158481 /nfs/dbraw/zinc/15/84/81/347158481.db2.gz OOKGNDPRFIENSZ-ZNSHCXBVSA-N 2 0 223.320 -0.066 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000582064140 347158466 /nfs/dbraw/zinc/15/84/66/347158466.db2.gz WFOLHCNJLNMBNH-NXEZZACHSA-N 2 0 242.367 -0.620 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000582064141 347158570 /nfs/dbraw/zinc/15/85/70/347158570.db2.gz WFOLHCNJLNMBNH-VHSXEESVSA-N 2 0 242.367 -0.620 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000582074469 347178479 /nfs/dbraw/zinc/17/84/79/347178479.db2.gz YTWDEZMKOMFPIH-MNOVXSKESA-N 2 0 240.351 -0.011 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000582074470 347178824 /nfs/dbraw/zinc/17/88/24/347178824.db2.gz YTWDEZMKOMFPIH-QWRGUYRKSA-N 2 0 240.351 -0.011 20 0 BBADRP [NH3+]CCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000582120633 347391335 /nfs/dbraw/zinc/39/13/35/347391335.db2.gz HSWYSCICRPWQMO-UHFFFAOYSA-N 2 0 215.297 -0.826 20 0 BBADRP COC[C@@]1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]C1 ZINC000582121232 347391585 /nfs/dbraw/zinc/39/15/85/347391585.db2.gz ZOAFNAIGFVLQMI-LLVKDONJSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@]1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]C1 ZINC000582121233 347391552 /nfs/dbraw/zinc/39/15/52/347391552.db2.gz ZOAFNAIGFVLQMI-NSHDSACASA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000582123246 344482331 /nfs/dbraw/zinc/48/23/31/344482331.db2.gz OANAEUJIAWWIEH-NXEZZACHSA-N 2 0 227.308 -0.687 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000582123247 344482338 /nfs/dbraw/zinc/48/23/38/344482338.db2.gz OANAEUJIAWWIEH-UWVGGRQHSA-N 2 0 227.308 -0.687 20 0 BBADRP COC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000582123248 344482530 /nfs/dbraw/zinc/48/25/30/344482530.db2.gz OANAEUJIAWWIEH-VHSXEESVSA-N 2 0 227.308 -0.687 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000582123249 344482625 /nfs/dbraw/zinc/48/26/25/344482625.db2.gz OANAEUJIAWWIEH-ZJUUUORDSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000582125225 344734586 /nfs/dbraw/zinc/73/45/86/344734586.db2.gz KHWMFEVUIQKWKC-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000582125226 344734597 /nfs/dbraw/zinc/73/45/97/344734597.db2.gz KHWMFEVUIQKWKC-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000582125227 344734458 /nfs/dbraw/zinc/73/44/58/344734458.db2.gz KHWMFEVUIQKWKC-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000582125228 344734675 /nfs/dbraw/zinc/73/46/75/344734675.db2.gz KHWMFEVUIQKWKC-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP Cn1cc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000582132962 347000135 /nfs/dbraw/zinc/00/01/35/347000135.db2.gz DXOQLGPBEUEVEK-GHMZBOCLSA-N 2 0 249.318 -0.836 20 0 BBADRP Cn1cc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000582132963 347000447 /nfs/dbraw/zinc/00/04/47/347000447.db2.gz DXOQLGPBEUEVEK-MNOVXSKESA-N 2 0 249.318 -0.836 20 0 BBADRP Cn1cc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000582132964 347000342 /nfs/dbraw/zinc/00/03/42/347000342.db2.gz DXOQLGPBEUEVEK-QWRGUYRKSA-N 2 0 249.318 -0.836 20 0 BBADRP [NH3+]C[C@H](NC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000582176059 386938193 /nfs/dbraw/zinc/93/81/93/386938193.db2.gz ZJNBDPNNCSTMOU-JTQLQIEISA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H](NC(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000582176060 386937863 /nfs/dbraw/zinc/93/78/63/386937863.db2.gz ZJNBDPNNCSTMOU-SNVBAGLBSA-N 2 0 227.308 -0.782 20 0 BBADRP CN1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000582179909 355618542 /nfs/dbraw/zinc/61/85/42/355618542.db2.gz HDPGPRHRBGJSII-GHMZBOCLSA-N 3 0 240.351 -0.770 20 0 BBADRP CN1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000582179910 355618872 /nfs/dbraw/zinc/61/88/72/355618872.db2.gz HDPGPRHRBGJSII-MNOVXSKESA-N 3 0 240.351 -0.770 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1c[nH+]ccc1N ZINC000582182134 355654367 /nfs/dbraw/zinc/65/43/67/355654367.db2.gz VEQPOBRIFUZNPW-SECBINFHSA-N 2 0 249.318 -0.872 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1c[nH+]ccc1N ZINC000582182135 355654350 /nfs/dbraw/zinc/65/43/50/355654350.db2.gz VEQPOBRIFUZNPW-VIFPVBQESA-N 2 0 249.318 -0.872 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[NH2+]C(C)C)C1 ZINC000582296567 357029992 /nfs/dbraw/zinc/02/99/92/357029992.db2.gz NSIHPAKHHPYQEV-WDEREUQCSA-N 2 0 243.351 -0.132 20 0 BBADRP CC(C)([NH3+])CNC(=O)COC1CC[NH2+]CC1 ZINC000582300362 357036991 /nfs/dbraw/zinc/03/69/91/357036991.db2.gz ZQCLZHWLMBSZDK-UHFFFAOYSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000582302123 357040054 /nfs/dbraw/zinc/04/00/54/357040054.db2.gz DBJJLPKMCRJTLY-SECBINFHSA-N 2 0 229.324 -0.310 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000582302124 357040030 /nfs/dbraw/zinc/04/00/30/357040030.db2.gz DBJJLPKMCRJTLY-VIFPVBQESA-N 2 0 229.324 -0.310 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582303964 357041823 /nfs/dbraw/zinc/04/18/23/357041823.db2.gz VIZZBQLTXDVSTM-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582303965 357041444 /nfs/dbraw/zinc/04/14/44/357041444.db2.gz VIZZBQLTXDVSTM-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP CCCN(C(=O)C[C@H](C[NH3+])OC)[C@@H]1CC[NH2+]C1 ZINC000582358958 357102845 /nfs/dbraw/zinc/10/28/45/357102845.db2.gz DDIIHLCLSNUHLN-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCN(C(=O)C[C@@H](C[NH3+])OC)[C@@H]1CC[NH2+]C1 ZINC000582358959 357102537 /nfs/dbraw/zinc/10/25/37/357102537.db2.gz DDIIHLCLSNUHLN-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CCCN(C(=O)C[C@@H](C[NH3+])OC)[C@H]1CC[NH2+]C1 ZINC000582358960 357102583 /nfs/dbraw/zinc/10/25/83/357102583.db2.gz DDIIHLCLSNUHLN-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCN(C(=O)C[C@H](C[NH3+])OC)[C@H]1CC[NH2+]C1 ZINC000582358961 357102190 /nfs/dbraw/zinc/10/21/90/357102190.db2.gz DDIIHLCLSNUHLN-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H](C[NH3+])OC ZINC000582359036 357102869 /nfs/dbraw/zinc/10/28/69/357102869.db2.gz JKEHXXJJCXAIHW-NXEZZACHSA-N 2 0 231.340 -0.016 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H](C[NH3+])OC ZINC000582359037 357102152 /nfs/dbraw/zinc/10/21/52/357102152.db2.gz JKEHXXJJCXAIHW-UWVGGRQHSA-N 2 0 231.340 -0.016 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H](C[NH3+])OC ZINC000582359038 357102521 /nfs/dbraw/zinc/10/25/21/357102521.db2.gz JKEHXXJJCXAIHW-VHSXEESVSA-N 2 0 231.340 -0.016 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H](C[NH3+])OC ZINC000582359039 357102509 /nfs/dbraw/zinc/10/25/09/357102509.db2.gz JKEHXXJJCXAIHW-ZJUUUORDSA-N 2 0 231.340 -0.016 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)CC[NH3+] ZINC000582361122 357105211 /nfs/dbraw/zinc/10/52/11/357105211.db2.gz MDNVULRNMKHZAH-UHFFFAOYSA-N 2 0 217.313 -0.628 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN(C)C1(CO)CC1 ZINC000582368368 357109719 /nfs/dbraw/zinc/10/97/19/357109719.db2.gz GQCJEYXBHQVYMB-JTQLQIEISA-N 2 0 216.325 -0.244 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN(C)C1(CO)CC1 ZINC000582368369 357110186 /nfs/dbraw/zinc/11/01/86/357110186.db2.gz GQCJEYXBHQVYMB-SNVBAGLBSA-N 2 0 216.325 -0.244 20 0 BBADRP C[N@H+]1CC=C(CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000582371673 357114936 /nfs/dbraw/zinc/11/49/36/357114936.db2.gz HVIFBVDUFFVBNQ-NSHDSACASA-N 2 0 238.335 -0.091 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000582371820 357115230 /nfs/dbraw/zinc/11/52/30/357115230.db2.gz NJTLXRNCTKNUJW-IUCAKERBSA-N 2 0 214.313 -0.402 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000582415233 357141071 /nfs/dbraw/zinc/14/10/71/357141071.db2.gz HZCJIKDJIPOATK-AXTSPUMRSA-N 2 0 229.324 -0.537 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000582415234 357141028 /nfs/dbraw/zinc/14/10/28/357141028.db2.gz HZCJIKDJIPOATK-SGIHWFKDSA-N 2 0 229.324 -0.537 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000582415235 357140360 /nfs/dbraw/zinc/14/03/60/357140360.db2.gz HZCJIKDJIPOATK-UTINFBMNSA-N 2 0 229.324 -0.537 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000582415236 357141063 /nfs/dbraw/zinc/14/10/63/357141063.db2.gz HZCJIKDJIPOATK-ZYUZMQFOSA-N 2 0 229.324 -0.537 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000582419615 357143083 /nfs/dbraw/zinc/14/30/83/357143083.db2.gz VHIWULJHSYTLCX-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000582419616 357143188 /nfs/dbraw/zinc/14/31/88/357143188.db2.gz VHIWULJHSYTLCX-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@](CN)([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000582421272 357144009 /nfs/dbraw/zinc/14/40/09/357144009.db2.gz NWSGKDUKXBUXSR-GFCCVEGCSA-N 2 0 226.368 -0.391 20 0 BBADRP C[C@@](CN)([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000582421273 357144134 /nfs/dbraw/zinc/14/41/34/357144134.db2.gz NWSGKDUKXBUXSR-LBPRGKRZSA-N 2 0 226.368 -0.391 20 0 BBADRP [NH3+][C@@H](CNC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000582431255 357147550 /nfs/dbraw/zinc/14/75/50/357147550.db2.gz YKQIRHUJEXOLGX-JTQLQIEISA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CNC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000582431256 357148060 /nfs/dbraw/zinc/14/80/60/357148060.db2.gz YKQIRHUJEXOLGX-SNVBAGLBSA-N 2 0 211.309 -0.018 20 0 BBADRP CN(C(=O)COC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000582485449 357317593 /nfs/dbraw/zinc/31/75/93/357317593.db2.gz MCEUMHQFUBETEA-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)COC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000582485450 357317507 /nfs/dbraw/zinc/31/75/07/357317507.db2.gz MCEUMHQFUBETEA-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000582485754 357317537 /nfs/dbraw/zinc/31/75/37/357317537.db2.gz GWBLLRDOVIWHNS-MRVPVSSYSA-N 2 0 237.307 -0.564 20 0 BBADRP C[NH2+]CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000582485755 357317569 /nfs/dbraw/zinc/31/75/69/357317569.db2.gz GWBLLRDOVIWHNS-QMMMGPOBSA-N 2 0 237.307 -0.564 20 0 BBADRP CN1CCN(C(=O)C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000582485864 357317399 /nfs/dbraw/zinc/31/73/99/357317399.db2.gz RWKYGUJLLYEFOB-LLVKDONJSA-N 2 0 240.351 -0.913 20 0 BBADRP CN1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000582485865 357317572 /nfs/dbraw/zinc/31/75/72/357317572.db2.gz RWKYGUJLLYEFOB-NSHDSACASA-N 2 0 240.351 -0.913 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[C@H]1CCC[NH2+]1 ZINC000582485947 357317848 /nfs/dbraw/zinc/31/78/48/357317848.db2.gz YDKPLDCGNQDRHS-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[C@H]1CCC[NH2+]1 ZINC000582485948 357317612 /nfs/dbraw/zinc/31/76/12/357317612.db2.gz YDKPLDCGNQDRHS-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582544371 357331166 /nfs/dbraw/zinc/33/11/66/357331166.db2.gz JUDUVXOUMLKYEE-DCAQKATOSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582544372 357331202 /nfs/dbraw/zinc/33/12/02/357331202.db2.gz JUDUVXOUMLKYEE-GARJFASQSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582544373 357330960 /nfs/dbraw/zinc/33/09/60/357330960.db2.gz JUDUVXOUMLKYEE-OUAUKWLOSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582544374 357330610 /nfs/dbraw/zinc/33/06/10/357330610.db2.gz JUDUVXOUMLKYEE-VWYCJHECSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C(COC1C[NH2+]C1)NCC[C@H]1CCC[NH2+]1 ZINC000582545378 357330573 /nfs/dbraw/zinc/33/05/73/357330573.db2.gz DPTVPZWRVCHRFY-SECBINFHSA-N 2 0 227.308 -0.767 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)CCO1 ZINC000582546985 357332012 /nfs/dbraw/zinc/33/20/12/357332012.db2.gz BQBDVYXMXSXDBP-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000582546988 357331443 /nfs/dbraw/zinc/33/14/43/357331443.db2.gz BQBDVYXMXSXDBP-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000582546989 357332164 /nfs/dbraw/zinc/33/21/64/357332164.db2.gz BQBDVYXMXSXDBP-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)CCO1 ZINC000582546990 357331425 /nfs/dbraw/zinc/33/14/25/357331425.db2.gz BQBDVYXMXSXDBP-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)COC1C[NH2+]C1 ZINC000582547915 357332835 /nfs/dbraw/zinc/33/28/35/357332835.db2.gz PKMFQHGQCRKBJE-SECBINFHSA-N 2 0 227.308 -0.769 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)COC1C[NH2+]C1 ZINC000582547917 357332560 /nfs/dbraw/zinc/33/25/60/357332560.db2.gz PKMFQHGQCRKBJE-VIFPVBQESA-N 2 0 227.308 -0.769 20 0 BBADRP CC(C)([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000582604788 357347947 /nfs/dbraw/zinc/34/79/47/357347947.db2.gz FDHCOKFGTQIVOP-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000582605326 357349375 /nfs/dbraw/zinc/34/93/75/357349375.db2.gz PXRQTQACSAVRMW-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000582605327 357349190 /nfs/dbraw/zinc/34/91/90/357349190.db2.gz PXRQTQACSAVRMW-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000582605328 357349311 /nfs/dbraw/zinc/34/93/11/357349311.db2.gz PXRQTQACSAVRMW-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000582605329 357349445 /nfs/dbraw/zinc/34/94/45/357349445.db2.gz PXRQTQACSAVRMW-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP COC[C@@](C)(CCO)[NH2+]CCN1CC[NH2+]CC1 ZINC000582606147 357349287 /nfs/dbraw/zinc/34/92/87/357349287.db2.gz ATMZUFVPYRGJID-GFCCVEGCSA-N 2 0 245.367 -0.731 20 0 BBADRP COC[C@](C)(CCO)[NH2+]CCN1CC[NH2+]CC1 ZINC000582606148 357349258 /nfs/dbraw/zinc/34/92/58/357349258.db2.gz ATMZUFVPYRGJID-LBPRGKRZSA-N 2 0 245.367 -0.731 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000582617289 357354396 /nfs/dbraw/zinc/35/43/96/357354396.db2.gz PYHVQDXHUXRXDB-JTQLQIEISA-N 2 0 243.351 -0.273 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582663948 357357253 /nfs/dbraw/zinc/35/72/53/357357253.db2.gz PKDRWFXPUNDNJO-NXEZZACHSA-N 2 0 239.319 -0.957 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582663949 357356976 /nfs/dbraw/zinc/35/69/76/357356976.db2.gz PKDRWFXPUNDNJO-UWVGGRQHSA-N 2 0 239.319 -0.957 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582663950 357356812 /nfs/dbraw/zinc/35/68/12/357356812.db2.gz PKDRWFXPUNDNJO-VHSXEESVSA-N 2 0 239.319 -0.957 20 0 BBADRP O=C(COC1C[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582663951 357356719 /nfs/dbraw/zinc/35/67/19/357356719.db2.gz PKDRWFXPUNDNJO-ZJUUUORDSA-N 2 0 239.319 -0.957 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)COC1CC[NH2+]CC1 ZINC000582664540 357358083 /nfs/dbraw/zinc/35/80/83/357358083.db2.gz IESGUSMPLVCUOO-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)COC1CC[NH2+]CC1 ZINC000582664541 357357605 /nfs/dbraw/zinc/35/76/05/357357605.db2.gz IESGUSMPLVCUOO-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NCCN1CC[NH2+]CC1 ZINC000582665551 357357719 /nfs/dbraw/zinc/35/77/19/357357719.db2.gz KLNXGXBVIDYLKW-JTQLQIEISA-N 2 0 228.340 -0.865 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NCCN1CC[NH2+]CC1 ZINC000582665552 357358037 /nfs/dbraw/zinc/35/80/37/357358037.db2.gz KLNXGXBVIDYLKW-SNVBAGLBSA-N 2 0 228.340 -0.865 20 0 BBADRP Cn1nncc1CN1CCN(c2ncc[nH]2)CC1 ZINC000582674919 357361083 /nfs/dbraw/zinc/36/10/83/357361083.db2.gz ZHZUYPDRUQTVMW-UHFFFAOYSA-N 2 0 247.306 -0.140 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000582720399 357370731 /nfs/dbraw/zinc/37/07/31/357370731.db2.gz XSNHBKRZWBTWCI-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000582720400 357370785 /nfs/dbraw/zinc/37/07/85/357370785.db2.gz XSNHBKRZWBTWCI-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)CCOC1C[NH2+]C1 ZINC000582720417 357370549 /nfs/dbraw/zinc/37/05/49/357370549.db2.gz ZLFKQSSMXRXITJ-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP COCC[NH2+]CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000582724648 357372752 /nfs/dbraw/zinc/37/27/52/357372752.db2.gz KFIGKLZPDMRORE-LLVKDONJSA-N 2 0 243.351 -0.272 20 0 BBADRP COCC[NH2+]CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000582724649 357372199 /nfs/dbraw/zinc/37/21/99/357372199.db2.gz KFIGKLZPDMRORE-NSHDSACASA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH2+]C[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000582726742 357373232 /nfs/dbraw/zinc/37/32/32/357373232.db2.gz KKFGPQMPFWLUCK-CYBMUJFWSA-N 3 0 240.395 -0.177 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000582726743 357373267 /nfs/dbraw/zinc/37/32/67/357373267.db2.gz KKFGPQMPFWLUCK-ZDUSSCGKSA-N 3 0 240.395 -0.177 20 0 BBADRP C[NH2+]CCCN1CCCO[C@@H](C[NH3+])C1 ZINC000582726854 357373371 /nfs/dbraw/zinc/37/33/71/357373371.db2.gz NDRIAWZLRLVDAR-JTQLQIEISA-N 2 0 201.314 -0.355 20 0 BBADRP C[NH2+]CCCN1CCCO[C@H](C[NH3+])C1 ZINC000582726856 357373303 /nfs/dbraw/zinc/37/33/03/357373303.db2.gz NDRIAWZLRLVDAR-SNVBAGLBSA-N 2 0 201.314 -0.355 20 0 BBADRP [NH3+]CC1(NC(=O)COC2C[NH2+]C2)CCCC1 ZINC000582726922 357373380 /nfs/dbraw/zinc/37/33/80/357373380.db2.gz RJENDVBITKRDST-UHFFFAOYSA-N 2 0 227.308 -0.638 20 0 BBADRP C[C@](C[NH3+])(NC(=O)COC1C[NH2+]C1)C1CC1 ZINC000582726986 357373352 /nfs/dbraw/zinc/37/33/52/357373352.db2.gz ZLMCVASYMAVMTR-LLVKDONJSA-N 2 0 227.308 -0.782 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)COC1C[NH2+]C1)C1CC1 ZINC000582726987 357373393 /nfs/dbraw/zinc/37/33/93/357373393.db2.gz ZLMCVASYMAVMTR-NSHDSACASA-N 2 0 227.308 -0.782 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000582782668 357390285 /nfs/dbraw/zinc/39/02/85/357390285.db2.gz JETLYUYEOJDTEK-JTQLQIEISA-N 2 0 238.291 -0.995 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000582782669 357390796 /nfs/dbraw/zinc/39/07/96/357390796.db2.gz JETLYUYEOJDTEK-SNVBAGLBSA-N 2 0 238.291 -0.995 20 0 BBADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@H]1[NH3+] ZINC000582786703 357394436 /nfs/dbraw/zinc/39/44/36/357394436.db2.gz OFKZQXBJDYQROT-GMSGAONNSA-N 2 0 220.276 -0.087 20 0 BBADRP [NH3+]CCOCCN1CCC2(CC[NH2+]2)CC1 ZINC000582786831 357394318 /nfs/dbraw/zinc/39/43/18/357394318.db2.gz KKZZNXZRIOXTPW-UHFFFAOYSA-N 2 0 213.325 -0.210 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000582791422 357396917 /nfs/dbraw/zinc/39/69/17/357396917.db2.gz VKAFTBYYXWJGON-AXFHLTTASA-N 2 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000582791423 357396825 /nfs/dbraw/zinc/39/68/25/357396825.db2.gz VKAFTBYYXWJGON-DCAQKATOSA-N 2 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000582791424 357396569 /nfs/dbraw/zinc/39/65/69/357396569.db2.gz VKAFTBYYXWJGON-MXWKQRLJSA-N 2 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000582791425 357397952 /nfs/dbraw/zinc/39/79/52/357397952.db2.gz VKAFTBYYXWJGON-VWYCJHECSA-N 2 0 215.341 -0.374 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000582844247 357415020 /nfs/dbraw/zinc/41/50/20/357415020.db2.gz ZJKSSROAPXTGKL-CIUDSAMLSA-N 2 0 243.307 -0.914 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000582844248 357415042 /nfs/dbraw/zinc/41/50/42/357415042.db2.gz ZJKSSROAPXTGKL-HLTSFMKQSA-N 2 0 243.307 -0.914 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000582844249 357415082 /nfs/dbraw/zinc/41/50/82/357415082.db2.gz ZJKSSROAPXTGKL-YIZRAAEISA-N 2 0 243.307 -0.914 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000582844278 357414808 /nfs/dbraw/zinc/41/48/08/357414808.db2.gz BSJLGBHXQGFTLC-HOSYDEDBSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000582844279 357415076 /nfs/dbraw/zinc/41/50/76/357415076.db2.gz BSJLGBHXQGFTLC-JBLDHEPKSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000582844280 357414924 /nfs/dbraw/zinc/41/49/24/357414924.db2.gz BSJLGBHXQGFTLC-NHCYSSNCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000582844281 357415091 /nfs/dbraw/zinc/41/50/91/357415091.db2.gz BSJLGBHXQGFTLC-UMNHJUIQSA-N 2 0 223.320 -0.146 20 0 BBADRP C[NH2+]CC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000582845619 398051363 /nfs/dbraw/zinc/05/13/63/398051363.db2.gz DDRNMSOGIYIVTB-UHFFFAOYSA-N 3 0 240.395 -0.177 20 0 BBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COCC(C)C ZINC000582845919 357409869 /nfs/dbraw/zinc/40/98/69/357409869.db2.gz PZYPFZDESYBSOI-GHMZBOCLSA-N 2 0 234.340 -0.810 20 0 BBADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COCC(C)C ZINC000582845920 357409927 /nfs/dbraw/zinc/40/99/27/357409927.db2.gz PZYPFZDESYBSOI-MNOVXSKESA-N 2 0 234.340 -0.810 20 0 BBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COCC(C)C ZINC000582845921 357410040 /nfs/dbraw/zinc/41/00/40/357410040.db2.gz PZYPFZDESYBSOI-QWRGUYRKSA-N 2 0 234.340 -0.810 20 0 BBADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COCC(C)C ZINC000582845922 357410070 /nfs/dbraw/zinc/41/00/70/357410070.db2.gz PZYPFZDESYBSOI-WDEREUQCSA-N 2 0 234.340 -0.810 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH3+])O1 ZINC000582903864 357426929 /nfs/dbraw/zinc/42/69/29/357426929.db2.gz MHGOROWAZUGYGV-AEJSXWLSSA-N 2 0 227.308 -0.558 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])O1 ZINC000582903868 357427164 /nfs/dbraw/zinc/42/71/64/357427164.db2.gz MHGOROWAZUGYGV-BBBLOLIVSA-N 2 0 227.308 -0.558 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000582903934 357427480 /nfs/dbraw/zinc/42/74/80/357427480.db2.gz SMROREMHXYSUNK-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000582903935 357427421 /nfs/dbraw/zinc/42/74/21/357427421.db2.gz SMROREMHXYSUNK-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000582903936 357427251 /nfs/dbraw/zinc/42/72/51/357427251.db2.gz SMROREMHXYSUNK-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000582903937 357427229 /nfs/dbraw/zinc/42/72/29/357427229.db2.gz SMROREMHXYSUNK-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[NH2+]C1 ZINC000582904014 357426963 /nfs/dbraw/zinc/42/69/63/357426963.db2.gz TUUWVHRPCAXZFC-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCC[NH2+]C1 ZINC000582904017 357427184 /nfs/dbraw/zinc/42/71/84/357427184.db2.gz TUUWVHRPCAXZFC-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)COC1CCC([NH3+])CC1 ZINC000582963767 357440712 /nfs/dbraw/zinc/44/07/12/357440712.db2.gz HNKZWDJMABQTNT-KPPDAEKUSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)COC1CCC([NH3+])CC1 ZINC000582963768 357440176 /nfs/dbraw/zinc/44/01/76/357440176.db2.gz HNKZWDJMABQTNT-WHXUTIOJSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@H]1CN(C(=O)CC[NH2+]C2CC2)CC[NH2+]1 ZINC000582975322 357449405 /nfs/dbraw/zinc/44/94/05/357449405.db2.gz MMMNLFFSXZJIIT-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CC1CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000583023459 357452561 /nfs/dbraw/zinc/45/25/61/357452561.db2.gz SFECWIKZDCYMRR-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP COC[C@]1(CNC(=O)C(C)(C)[NH3+])CCC[NH2+]1 ZINC000583023972 357452636 /nfs/dbraw/zinc/45/26/36/357452636.db2.gz YWNSWWLINJFONI-LLVKDONJSA-N 2 0 229.324 -0.392 20 0 BBADRP COC[C@@]1(CNC(=O)C(C)(C)[NH3+])CCC[NH2+]1 ZINC000583023973 357452486 /nfs/dbraw/zinc/45/24/86/357452486.db2.gz YWNSWWLINJFONI-NSHDSACASA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000583024093 357452396 /nfs/dbraw/zinc/45/23/96/357452396.db2.gz HJNJDWXLHXTYPE-CIUDSAMLSA-N 2 0 231.365 -0.067 20 0 BBADRP C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)[C@H](C)[NH3+] ZINC000583024094 357452517 /nfs/dbraw/zinc/45/25/17/357452517.db2.gz HJNJDWXLHXTYPE-DJLDLDEBSA-N 2 0 231.365 -0.067 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000583024095 357452317 /nfs/dbraw/zinc/45/23/17/357452317.db2.gz HJNJDWXLHXTYPE-XHNCKOQMSA-N 2 0 231.365 -0.067 20 0 BBADRP C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)[C@H](C)[NH3+] ZINC000583024096 357452386 /nfs/dbraw/zinc/45/23/86/357452386.db2.gz HJNJDWXLHXTYPE-YIZRAAEISA-N 2 0 231.365 -0.067 20 0 BBADRP CN(C[C@H](O)C[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000583024722 387039059 /nfs/dbraw/zinc/03/90/59/387039059.db2.gz HPJDMWPBEXNDFI-NXEZZACHSA-N 2 0 201.314 -0.763 20 0 BBADRP CN(C[C@@H](O)C[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000583024723 387039583 /nfs/dbraw/zinc/03/95/83/387039583.db2.gz HPJDMWPBEXNDFI-UWVGGRQHSA-N 2 0 201.314 -0.763 20 0 BBADRP CN(C[C@@H](O)C[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000583024724 387039039 /nfs/dbraw/zinc/03/90/39/387039039.db2.gz HPJDMWPBEXNDFI-VHSXEESVSA-N 2 0 201.314 -0.763 20 0 BBADRP CN(C[C@H](O)C[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000583024725 387039831 /nfs/dbraw/zinc/03/98/31/387039831.db2.gz HPJDMWPBEXNDFI-ZJUUUORDSA-N 2 0 201.314 -0.763 20 0 BBADRP C[C@](C[NH3+])(NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000583026047 357460410 /nfs/dbraw/zinc/46/04/10/357460410.db2.gz OQHOGITXNYWTIW-JFGNBEQYSA-N 2 0 241.335 -0.264 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000583026048 357460032 /nfs/dbraw/zinc/46/00/32/357460032.db2.gz OQHOGITXNYWTIW-SCVCMEIPSA-N 2 0 241.335 -0.264 20 0 BBADRP NC(=O)NC(=O)CC[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000583078937 357473755 /nfs/dbraw/zinc/47/37/55/357473755.db2.gz APNANLUNNYXVGK-MRVPVSSYSA-N 2 0 240.307 -0.602 20 0 BBADRP NC(=O)NC(=O)CC[NH2+][C@H]1CCN(C2CC2)C1 ZINC000583078938 357473750 /nfs/dbraw/zinc/47/37/50/357473750.db2.gz APNANLUNNYXVGK-QMMMGPOBSA-N 2 0 240.307 -0.602 20 0 BBADRP [NH3+]C[C@@H](NC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000583079095 357473703 /nfs/dbraw/zinc/47/37/03/357473703.db2.gz JXITURYVHZIKEJ-SECBINFHSA-N 2 0 211.309 -0.031 20 0 BBADRP [NH3+]C[C@H](NC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000583079096 357473797 /nfs/dbraw/zinc/47/37/97/357473797.db2.gz JXITURYVHZIKEJ-VIFPVBQESA-N 2 0 211.309 -0.031 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000583093030 357478498 /nfs/dbraw/zinc/47/84/98/357478498.db2.gz DHDVPDOKTVESIG-NTSWFWBYSA-N 2 0 209.240 -0.307 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000583093034 357478439 /nfs/dbraw/zinc/47/84/39/357478439.db2.gz DHDVPDOKTVESIG-WDSKDSINSA-N 2 0 209.240 -0.307 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000583143024 357493219 /nfs/dbraw/zinc/49/32/19/357493219.db2.gz SRBJHLGXVYBMMD-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000583143025 357493200 /nfs/dbraw/zinc/49/32/00/357493200.db2.gz SRBJHLGXVYBMMD-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@]1(C[NH2+]CCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000583143555 357494123 /nfs/dbraw/zinc/49/41/23/357494123.db2.gz PVVUMBBCNPXHPC-GFCCVEGCSA-N 3 0 226.368 -0.519 20 0 BBADRP C[C@]1(C[NH2+]CCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000583143556 357494088 /nfs/dbraw/zinc/49/40/88/357494088.db2.gz PVVUMBBCNPXHPC-LBPRGKRZSA-N 3 0 226.368 -0.519 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000583145553 357494415 /nfs/dbraw/zinc/49/44/15/357494415.db2.gz LJUOUGCGCMDVTN-NXEZZACHSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000583145554 357494694 /nfs/dbraw/zinc/49/46/94/357494694.db2.gz LJUOUGCGCMDVTN-UWVGGRQHSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000583145555 357494492 /nfs/dbraw/zinc/49/44/92/357494492.db2.gz LJUOUGCGCMDVTN-VHSXEESVSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000583145556 357494909 /nfs/dbraw/zinc/49/49/09/357494909.db2.gz LJUOUGCGCMDVTN-ZJUUUORDSA-N 2 0 227.308 -0.687 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583155475 357497335 /nfs/dbraw/zinc/49/73/35/357497335.db2.gz YDXQPYXZTBSYCK-CMPLNLGQSA-N 2 0 238.335 -0.257 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583155477 357497628 /nfs/dbraw/zinc/49/76/28/357497628.db2.gz YDXQPYXZTBSYCK-JQWIXIFHSA-N 2 0 238.335 -0.257 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000583203395 357519237 /nfs/dbraw/zinc/51/92/37/357519237.db2.gz HEDPLAFNAGBUCG-GXSJLCMTSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000583203396 357519067 /nfs/dbraw/zinc/51/90/67/357519067.db2.gz HEDPLAFNAGBUCG-KOLCDFICSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000583203397 357519318 /nfs/dbraw/zinc/51/93/18/357519318.db2.gz HEDPLAFNAGBUCG-MWLCHTKSSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000583203398 357519306 /nfs/dbraw/zinc/51/93/06/357519306.db2.gz HEDPLAFNAGBUCG-ONGXEEELSA-N 2 0 229.324 -0.534 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000583214656 357564734 /nfs/dbraw/zinc/56/47/34/357564734.db2.gz IJKOZYBKACOJDS-GARJFASQSA-N 2 0 238.335 -0.116 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)C[NH2+]C1CC1)C(F)F ZINC000583262536 357750390 /nfs/dbraw/zinc/75/03/90/357750390.db2.gz KCHRHBQCZBDTJP-SSDOTTSWSA-N 2 0 221.251 -0.163 20 0 BBADRP [NH3+]CC[C@H](NC(=O)C[NH2+]C1CC1)C(F)F ZINC000583262537 357751041 /nfs/dbraw/zinc/75/10/41/357751041.db2.gz KCHRHBQCZBDTJP-ZETCQYMHSA-N 2 0 221.251 -0.163 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000583262754 357750989 /nfs/dbraw/zinc/75/09/89/357750989.db2.gz QLYZRPCWMPBHIG-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000583262755 357750636 /nfs/dbraw/zinc/75/06/36/357750636.db2.gz QLYZRPCWMPBHIG-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C[NH3+])CC1 ZINC000583268252 357763419 /nfs/dbraw/zinc/76/34/19/357763419.db2.gz MSIVAHKFZZHJMM-LLVKDONJSA-N 3 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C[NH3+])CC1 ZINC000583268256 357763110 /nfs/dbraw/zinc/76/31/10/357763110.db2.gz MSIVAHKFZZHJMM-NSHDSACASA-N 3 0 215.341 -0.373 20 0 BBADRP [NH3+]CCCNC(=O)COC1CCC([NH3+])CC1 ZINC000583321046 357903258 /nfs/dbraw/zinc/90/32/58/357903258.db2.gz FGEFLIOYAQUWLW-UHFFFAOYSA-N 2 0 229.324 -0.262 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000583324604 357905428 /nfs/dbraw/zinc/90/54/28/357905428.db2.gz BBGHKBIYZXWMDH-PWSUYJOCSA-N 2 0 241.335 -0.567 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000583334020 342736146 /nfs/dbraw/zinc/73/61/46/342736146.db2.gz RUPHHVUBKIMCJL-UWVGGRQHSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000583334021 342735998 /nfs/dbraw/zinc/73/59/98/342735998.db2.gz RUPHHVUBKIMCJL-ZJUUUORDSA-N 2 0 226.324 -0.271 20 0 BBADRP C[NH+](C)CCNC(=O)COC1CCC([NH3+])CC1 ZINC000583379531 344856840 /nfs/dbraw/zinc/85/68/40/344856840.db2.gz APARDCWSLIVSAS-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451348 344999278 /nfs/dbraw/zinc/99/92/78/344999278.db2.gz SCHCVKSSAYURNE-SRVKXCTJSA-N 2 0 227.352 -0.088 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583451349 344999259 /nfs/dbraw/zinc/99/92/59/344999259.db2.gz SCHCVKSSAYURNE-TUAOUCFPSA-N 2 0 227.352 -0.088 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451350 344999140 /nfs/dbraw/zinc/99/91/40/344999140.db2.gz SCHCVKSSAYURNE-UTUOFQBUSA-N 2 0 227.352 -0.088 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583451351 344999098 /nfs/dbraw/zinc/99/90/98/344999098.db2.gz SCHCVKSSAYURNE-WOPDTQHZSA-N 2 0 227.352 -0.088 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000583498474 355332716 /nfs/dbraw/zinc/33/27/16/355332716.db2.gz WNPQNHMZQQQYDQ-CHWFTXMASA-N 2 0 241.310 -0.246 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000583498475 355332612 /nfs/dbraw/zinc/33/26/12/355332612.db2.gz WNPQNHMZQQQYDQ-VPOLOUISSA-N 2 0 241.310 -0.246 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000583498476 355332701 /nfs/dbraw/zinc/33/27/01/355332701.db2.gz WNPQNHMZQQQYDQ-XWLWVQCSSA-N 2 0 241.310 -0.246 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000583498477 355332255 /nfs/dbraw/zinc/33/22/55/355332255.db2.gz WNPQNHMZQQQYDQ-ZRUFSTJUSA-N 2 0 241.310 -0.246 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000583498883 355332379 /nfs/dbraw/zinc/33/23/79/355332379.db2.gz BDTMAEOBKYIWDK-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000583498884 355332619 /nfs/dbraw/zinc/33/26/19/355332619.db2.gz BDTMAEOBKYIWDK-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000583500610 355333282 /nfs/dbraw/zinc/33/32/82/355333282.db2.gz OQJUPAJOWJKDNJ-GFCCVEGCSA-N 3 0 240.395 -0.049 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000583500611 355333407 /nfs/dbraw/zinc/33/34/07/355333407.db2.gz OQJUPAJOWJKDNJ-LBPRGKRZSA-N 3 0 240.395 -0.049 20 0 BBADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000583500980 355333660 /nfs/dbraw/zinc/33/36/60/355333660.db2.gz POJQGLWJEJXSQK-WDEREUQCSA-N 2 0 239.319 -0.984 20 0 BBADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000583511487 386777751 /nfs/dbraw/zinc/77/77/51/386777751.db2.gz HXPLNVVFDKDQPA-MNOVXSKESA-N 2 0 240.351 -0.059 20 0 BBADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000583511488 386777830 /nfs/dbraw/zinc/77/78/30/386777830.db2.gz HXPLNVVFDKDQPA-QWRGUYRKSA-N 2 0 240.351 -0.059 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000583563942 355614492 /nfs/dbraw/zinc/61/44/92/355614492.db2.gz OBYHRFKHSQIDSF-CIUDSAMLSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)[C@H](C)[NH3+] ZINC000583563943 355614699 /nfs/dbraw/zinc/61/46/99/355614699.db2.gz OBYHRFKHSQIDSF-DJLDLDEBSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000583563944 355614137 /nfs/dbraw/zinc/61/41/37/355614137.db2.gz OBYHRFKHSQIDSF-XHNCKOQMSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)[C@H](C)[NH3+] ZINC000583563945 355614581 /nfs/dbraw/zinc/61/45/81/355614581.db2.gz OBYHRFKHSQIDSF-YIZRAAEISA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]1CN(CCN(C)C(=O)C[NH3+])C[C@H](C)O1 ZINC000583565624 355647519 /nfs/dbraw/zinc/64/75/19/355647519.db2.gz GMFGKWXFMHJWLS-AOOOYVTPSA-N 2 0 229.324 -0.487 20 0 BBADRP COCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583575757 355657524 /nfs/dbraw/zinc/65/75/24/355657524.db2.gz RMLFNXQOYBUUAQ-NXEZZACHSA-N 2 0 227.308 -0.733 20 0 BBADRP COCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583575758 355657580 /nfs/dbraw/zinc/65/75/80/355657580.db2.gz RMLFNXQOYBUUAQ-UWVGGRQHSA-N 2 0 227.308 -0.733 20 0 BBADRP COCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583575759 355657770 /nfs/dbraw/zinc/65/77/70/355657770.db2.gz RMLFNXQOYBUUAQ-VHSXEESVSA-N 2 0 227.308 -0.733 20 0 BBADRP COCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583575760 355657845 /nfs/dbraw/zinc/65/78/45/355657845.db2.gz RMLFNXQOYBUUAQ-ZJUUUORDSA-N 2 0 227.308 -0.733 20 0 BBADRP C[C@@H](C(=O)N(C)C1CC([NH3+])C1)C1C[NH2+]C1 ZINC000583630250 355933090 /nfs/dbraw/zinc/93/30/90/355933090.db2.gz QQSHOHGESPGYTE-CUUXFQNZSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@H](C(=O)N(C)C1CC([NH3+])C1)C1C[NH2+]C1 ZINC000583630251 355933034 /nfs/dbraw/zinc/93/30/34/355933034.db2.gz QQSHOHGESPGYTE-WFRXLMHJSA-N 2 0 211.309 -0.210 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000583688047 357120226 /nfs/dbraw/zinc/12/02/26/357120226.db2.gz FFRDNQSNUSQIAJ-IVZWLZJFSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000583688048 357120204 /nfs/dbraw/zinc/12/02/04/357120204.db2.gz FFRDNQSNUSQIAJ-KXUCPTDWSA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000583688049 357120229 /nfs/dbraw/zinc/12/02/29/357120229.db2.gz FFRDNQSNUSQIAJ-LPEHRKFASA-N 2 0 229.324 -0.406 20 0 BBADRP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583688050 357119939 /nfs/dbraw/zinc/11/99/39/357119939.db2.gz FFRDNQSNUSQIAJ-OPRDCNLKSA-N 2 0 229.324 -0.406 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000583688578 357120215 /nfs/dbraw/zinc/12/02/15/357120215.db2.gz PZAXIBWWRCZMIX-GXSJLCMTSA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000583688579 357119880 /nfs/dbraw/zinc/11/98/80/357119880.db2.gz PZAXIBWWRCZMIX-KOLCDFICSA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000583688580 357120188 /nfs/dbraw/zinc/12/01/88/357120188.db2.gz PZAXIBWWRCZMIX-MWLCHTKSSA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000583688581 357120010 /nfs/dbraw/zinc/12/00/10/357120010.db2.gz PZAXIBWWRCZMIX-ONGXEEELSA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000583692577 357179456 /nfs/dbraw/zinc/17/94/56/357179456.db2.gz OJVSUCGUYJZYGS-VLEAKVRGSA-N 2 0 241.335 -0.251 20 0 BBADRP [NH3+]C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000583693896 357183338 /nfs/dbraw/zinc/18/33/38/357183338.db2.gz OPNWZPRHHYIRHB-GHMZBOCLSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000583693897 357183015 /nfs/dbraw/zinc/18/30/15/357183015.db2.gz OPNWZPRHHYIRHB-MNOVXSKESA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000583693898 357183079 /nfs/dbraw/zinc/18/30/79/357183079.db2.gz OPNWZPRHHYIRHB-QWRGUYRKSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000583693899 357183595 /nfs/dbraw/zinc/18/35/95/357183595.db2.gz OPNWZPRHHYIRHB-WDEREUQCSA-N 2 0 213.325 -0.355 20 0 BBADRP Cn1[nH]c(CN2CCC(CC[NH3+])CC2)nc1=O ZINC000583698970 357272906 /nfs/dbraw/zinc/27/29/06/357272906.db2.gz XAYWWBSRHFCUOQ-UHFFFAOYSA-N 2 0 239.323 -0.331 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000583752112 357934171 /nfs/dbraw/zinc/93/41/71/357934171.db2.gz RLTKGUGCSZPVEX-ATZCPNFKSA-N 2 0 211.309 -0.161 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000583752113 357934167 /nfs/dbraw/zinc/93/41/67/357934167.db2.gz RLTKGUGCSZPVEX-IQJOONFLSA-N 2 0 211.309 -0.161 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000583752114 357933860 /nfs/dbraw/zinc/93/38/60/357933860.db2.gz RLTKGUGCSZPVEX-NGZCFLSTSA-N 2 0 211.309 -0.161 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000583752115 357934080 /nfs/dbraw/zinc/93/40/80/357934080.db2.gz RLTKGUGCSZPVEX-QXEWZRGKSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]CC1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000583807143 357955162 /nfs/dbraw/zinc/95/51/62/357955162.db2.gz WQFDCTHHSUMKRE-JTQLQIEISA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]CC1(C(=O)NC[C@H]2C[NH2+]CCO2)CCCC1 ZINC000583807144 357954808 /nfs/dbraw/zinc/95/48/08/357954808.db2.gz WQFDCTHHSUMKRE-SNVBAGLBSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]CCC(=O)NCCNc1cc[nH+]cc1 ZINC000583810151 357955533 /nfs/dbraw/zinc/95/55/33/357955533.db2.gz YCEGRVDKLBLEHQ-UHFFFAOYSA-N 2 0 208.265 -0.620 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CCCO1 ZINC000583811591 357956944 /nfs/dbraw/zinc/95/69/44/357956944.db2.gz LCWTYIRSOHMMGZ-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CCCO1 ZINC000583811592 357956560 /nfs/dbraw/zinc/95/65/60/357956560.db2.gz LCWTYIRSOHMMGZ-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CCCO1 ZINC000583811593 357957042 /nfs/dbraw/zinc/95/70/42/357957042.db2.gz LCWTYIRSOHMMGZ-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CCCO1 ZINC000583811594 357956838 /nfs/dbraw/zinc/95/68/38/357956838.db2.gz LCWTYIRSOHMMGZ-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583811659 357957112 /nfs/dbraw/zinc/95/71/12/357957112.db2.gz OOKYNYZYKIMEOB-GHMZBOCLSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000583811660 357956794 /nfs/dbraw/zinc/95/67/94/357956794.db2.gz OOKYNYZYKIMEOB-MNOVXSKESA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000583811661 357956709 /nfs/dbraw/zinc/95/67/09/357956709.db2.gz OOKYNYZYKIMEOB-QWRGUYRKSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000583811662 357956966 /nfs/dbraw/zinc/95/69/66/357956966.db2.gz OOKYNYZYKIMEOB-WDEREUQCSA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@H](c1nnnn1C)N1CCC[C@@H](C[NH3+])C1 ZINC000583813015 357959947 /nfs/dbraw/zinc/95/99/47/357959947.db2.gz JVBIEGZXQFSYMK-BDAKNGLRSA-N 2 0 224.312 -0.058 20 0 BBADRP C[C@@H](c1nnnn1C)N1CCC[C@H](C[NH3+])C1 ZINC000583813016 357959709 /nfs/dbraw/zinc/95/97/09/357959709.db2.gz JVBIEGZXQFSYMK-DTWKUNHWSA-N 2 0 224.312 -0.058 20 0 BBADRP C[C@@H](c1nnnn1C)N1CCC[C@@H](C[NH3+])C1 ZINC000583813017 357959878 /nfs/dbraw/zinc/95/98/78/357959878.db2.gz JVBIEGZXQFSYMK-IUCAKERBSA-N 2 0 224.312 -0.058 20 0 BBADRP C[C@H](c1nnnn1C)N1CCC[C@H](C[NH3+])C1 ZINC000583813018 357959724 /nfs/dbraw/zinc/95/97/24/357959724.db2.gz JVBIEGZXQFSYMK-RKDXNWHRSA-N 2 0 224.312 -0.058 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)COC1C[NH2+]C1 ZINC000583815111 357960533 /nfs/dbraw/zinc/96/05/33/357960533.db2.gz YWTDVXMBFSBOLB-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP [NH3+]CCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000583817463 357961395 /nfs/dbraw/zinc/96/13/95/357961395.db2.gz NBGCKPZTSIPGML-JTQLQIEISA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000583817464 357961032 /nfs/dbraw/zinc/96/10/32/357961032.db2.gz NBGCKPZTSIPGML-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000583934068 342728341 /nfs/dbraw/zinc/72/83/41/342728341.db2.gz KXLSZLMAKGIXOB-LURJTMIESA-N 2 0 209.240 -0.176 20 0 BBADRP [NH3+]CCCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000583934069 342728273 /nfs/dbraw/zinc/72/82/73/342728273.db2.gz KXLSZLMAKGIXOB-ZCFIWIBFSA-N 2 0 209.240 -0.176 20 0 BBADRP C[C@]1(F)C[NH2+]CCN(CCOCC[NH3+])C1 ZINC000583935088 342728313 /nfs/dbraw/zinc/72/83/13/342728313.db2.gz OKCAQAFXTQDOGJ-JTQLQIEISA-N 2 0 219.304 -0.405 20 0 BBADRP C[C@@]1(F)C[NH2+]CCN(CCOCC[NH3+])C1 ZINC000583935089 342728370 /nfs/dbraw/zinc/72/83/70/342728370.db2.gz OKCAQAFXTQDOGJ-SNVBAGLBSA-N 2 0 219.304 -0.405 20 0 BBADRP CC[NH2+]CCCNC(=O)NCC[NH2+]CC ZINC000584043057 343304758 /nfs/dbraw/zinc/30/47/58/343304758.db2.gz UMDSQPVPULEXFH-UHFFFAOYSA-N 2 0 216.329 -0.105 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000584052551 343307234 /nfs/dbraw/zinc/30/72/34/343307234.db2.gz PYPPFOLMRPZADJ-NXEZZACHSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000584052552 343307354 /nfs/dbraw/zinc/30/73/54/343307354.db2.gz PYPPFOLMRPZADJ-UWVGGRQHSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000584052553 343307310 /nfs/dbraw/zinc/30/73/10/343307310.db2.gz PYPPFOLMRPZADJ-VHSXEESVSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000584052554 343307308 /nfs/dbraw/zinc/30/73/08/343307308.db2.gz PYPPFOLMRPZADJ-ZJUUUORDSA-N 2 0 243.351 -0.146 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000584052589 343307413 /nfs/dbraw/zinc/30/74/13/343307413.db2.gz TUYVMSJTRCYBHF-KXUCPTDWSA-N 2 0 243.376 -0.255 20 0 BBADRP CC(C)([NH3+])CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000584053678 343307731 /nfs/dbraw/zinc/30/77/31/343307731.db2.gz UNNISESTHGJOOI-LLVKDONJSA-N 2 0 226.368 -0.297 20 0 BBADRP CC(C)([NH3+])CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000584053679 343307972 /nfs/dbraw/zinc/30/79/72/343307972.db2.gz UNNISESTHGJOOI-NSHDSACASA-N 2 0 226.368 -0.297 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000584054733 343307741 /nfs/dbraw/zinc/30/77/41/343307741.db2.gz IGKAPKSQNUXOGW-BDAKNGLRSA-N 2 0 229.324 -0.264 20 0 BBADRP [NH3+][C@@H](C(=O)NCCN1CC[NH2+]CC1)C1CCC1 ZINC000584112589 343697836 /nfs/dbraw/zinc/69/78/36/343697836.db2.gz WQZJAYBUDYSOIG-LLVKDONJSA-N 2 0 240.351 -0.865 20 0 BBADRP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1)C1CCC1 ZINC000584112590 343697764 /nfs/dbraw/zinc/69/77/64/343697764.db2.gz WQZJAYBUDYSOIG-NSHDSACASA-N 2 0 240.351 -0.865 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000584114206 343759073 /nfs/dbraw/zinc/75/90/73/343759073.db2.gz MFSDZLAQHLPONW-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000584114207 343759093 /nfs/dbraw/zinc/75/90/93/343759093.db2.gz MFSDZLAQHLPONW-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@](C[NH3+])(NC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000584114233 343759040 /nfs/dbraw/zinc/75/90/40/343759040.db2.gz NOQQHDTXJWTIPU-CMPLNLGQSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000584114234 343759089 /nfs/dbraw/zinc/75/90/89/343759089.db2.gz NOQQHDTXJWTIPU-JQWIXIFHSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000584114235 343758840 /nfs/dbraw/zinc/75/88/40/343758840.db2.gz NOQQHDTXJWTIPU-PWSUYJOCSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@](C[NH3+])(NC(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000584114236 343758990 /nfs/dbraw/zinc/75/89/90/343758990.db2.gz NOQQHDTXJWTIPU-ZYHUDNBSSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]CC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000584125138 343763639 /nfs/dbraw/zinc/76/36/39/343763639.db2.gz ITQGHSDAFYUZEI-JTQLQIEISA-N 2 0 226.324 -0.271 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000584172060 343768717 /nfs/dbraw/zinc/76/87/17/343768717.db2.gz VNCGJJHBUTWCHY-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000584172061 343768754 /nfs/dbraw/zinc/76/87/54/343768754.db2.gz VNCGJJHBUTWCHY-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000584172062 343768708 /nfs/dbraw/zinc/76/87/08/343768708.db2.gz VNCGJJHBUTWCHY-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000584172063 343768719 /nfs/dbraw/zinc/76/87/19/343768719.db2.gz VNCGJJHBUTWCHY-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000584226413 343774762 /nfs/dbraw/zinc/77/47/62/343774762.db2.gz ASFLJTNSYGESBI-SECBINFHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000584226414 343774996 /nfs/dbraw/zinc/77/49/96/343774996.db2.gz ASFLJTNSYGESBI-VIFPVBQESA-N 2 0 227.308 -0.767 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000584229791 343775836 /nfs/dbraw/zinc/77/58/36/343775836.db2.gz QUBSCUUFUSIZRQ-LLVKDONJSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000584229792 343775784 /nfs/dbraw/zinc/77/57/84/343775784.db2.gz QUBSCUUFUSIZRQ-NSHDSACASA-N 2 0 241.335 -0.425 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000584231070 343775819 /nfs/dbraw/zinc/77/58/19/343775819.db2.gz WMUIMFDMZOTEGB-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000584231071 343775818 /nfs/dbraw/zinc/77/58/18/343775818.db2.gz WMUIMFDMZOTEGB-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000584231072 343776147 /nfs/dbraw/zinc/77/61/47/343776147.db2.gz WMUIMFDMZOTEGB-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000584231073 343775804 /nfs/dbraw/zinc/77/58/04/343775804.db2.gz WMUIMFDMZOTEGB-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000584241245 398221023 /nfs/dbraw/zinc/22/10/23/398221023.db2.gz GPSHKBIGLGVGCO-DCAQKATOSA-N 2 0 241.335 -0.786 20 0 BBADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000584241246 398221151 /nfs/dbraw/zinc/22/11/51/398221151.db2.gz GPSHKBIGLGVGCO-VWYCJHECSA-N 2 0 241.335 -0.786 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000584243485 384327237 /nfs/dbraw/zinc/32/72/37/384327237.db2.gz DXYSXNPCPLRAMI-JTQLQIEISA-N 2 0 238.335 -0.162 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000584290920 344425900 /nfs/dbraw/zinc/42/59/00/344425900.db2.gz PYNXZHPUQSYRQM-DTWKUNHWSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000584290921 344426158 /nfs/dbraw/zinc/42/61/58/344426158.db2.gz PYNXZHPUQSYRQM-RKDXNWHRSA-N 2 0 215.297 -0.926 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C[NH3+] ZINC000584292325 344426674 /nfs/dbraw/zinc/42/66/74/344426674.db2.gz HSZDSJNUCUVCLC-CHWFTXMASA-N 2 0 241.335 -0.848 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C[NH3+] ZINC000584292326 344426633 /nfs/dbraw/zinc/42/66/33/344426633.db2.gz HSZDSJNUCUVCLC-VPOLOUISSA-N 2 0 241.335 -0.848 20 0 BBADRP C[C@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C[NH3+] ZINC000584292327 344426743 /nfs/dbraw/zinc/42/67/43/344426743.db2.gz HSZDSJNUCUVCLC-XWLWVQCSSA-N 2 0 241.335 -0.848 20 0 BBADRP C[C@H]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C[NH3+] ZINC000584292328 344426772 /nfs/dbraw/zinc/42/67/72/344426772.db2.gz HSZDSJNUCUVCLC-ZRUFSTJUSA-N 2 0 241.335 -0.848 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000584292439 344426664 /nfs/dbraw/zinc/42/66/64/344426664.db2.gz UXCGAOOVLYIBOA-AOOOYVTPSA-N 2 0 209.293 -0.240 20 0 BBADRP CN(CCC[NH3+])C(=O)NCCOCC[NH+](C)C ZINC000584302966 344440694 /nfs/dbraw/zinc/44/06/94/344440694.db2.gz STVULEGNGQWSKG-UHFFFAOYSA-N 2 0 246.355 -0.445 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000584350143 356061571 /nfs/dbraw/zinc/06/15/71/356061571.db2.gz RIXXIFPPEWFNGT-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP C[N@H+](C[C@@H](O)C[NH3+])CC1CC[NH2+]CC1 ZINC000584350855 356064175 /nfs/dbraw/zinc/06/41/75/356064175.db2.gz FSJSPTLVBAJYQX-JTQLQIEISA-N 2 0 201.314 -0.763 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])CC1CC[NH2+]CC1 ZINC000584350856 356064421 /nfs/dbraw/zinc/06/44/21/356064421.db2.gz FSJSPTLVBAJYQX-SNVBAGLBSA-N 2 0 201.314 -0.763 20 0 BBADRP C([NH2+]C[C@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000584351047 356064938 /nfs/dbraw/zinc/06/49/38/356064938.db2.gz NWPGNXLRGCICOM-LLVKDONJSA-N 2 0 213.325 -0.436 20 0 BBADRP C([NH2+]C[C@@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000584351048 356065462 /nfs/dbraw/zinc/06/54/62/356065462.db2.gz NWPGNXLRGCICOM-NSHDSACASA-N 2 0 213.325 -0.436 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000584362497 357328069 /nfs/dbraw/zinc/32/80/69/357328069.db2.gz DPABQNCLWWRYFY-GUBZILKMSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000584362498 357328132 /nfs/dbraw/zinc/32/81/32/357328132.db2.gz DPABQNCLWWRYFY-KXUCPTDWSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000584362499 357327824 /nfs/dbraw/zinc/32/78/24/357327824.db2.gz DPABQNCLWWRYFY-LPEHRKFASA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000584362500 357327794 /nfs/dbraw/zinc/32/77/94/357327794.db2.gz DPABQNCLWWRYFY-UTLUCORTSA-N 2 0 226.324 -0.355 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000584408680 357913505 /nfs/dbraw/zinc/91/35/05/357913505.db2.gz LESMJEQIEUVUNH-MNOVXSKESA-N 2 0 237.303 -0.224 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000584408681 357913147 /nfs/dbraw/zinc/91/31/47/357913147.db2.gz LESMJEQIEUVUNH-QWRGUYRKSA-N 2 0 237.303 -0.224 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000584412048 357914963 /nfs/dbraw/zinc/91/49/63/357914963.db2.gz UBFILVZLFGQGLB-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000584412052 357914800 /nfs/dbraw/zinc/91/48/00/357914800.db2.gz UBFILVZLFGQGLB-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000584412055 357914640 /nfs/dbraw/zinc/91/46/40/357914640.db2.gz UBFILVZLFGQGLB-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000584412057 357915096 /nfs/dbraw/zinc/91/50/96/357915096.db2.gz UBFILVZLFGQGLB-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000584412494 357915111 /nfs/dbraw/zinc/91/51/11/357915111.db2.gz YZBBBYWPPNIJOA-IMICNGSGSA-N 2 0 221.304 -0.680 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000584412496 357914971 /nfs/dbraw/zinc/91/49/71/357914971.db2.gz YZBBBYWPPNIJOA-KUNJHIDRSA-N 2 0 221.304 -0.680 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000584412498 357914986 /nfs/dbraw/zinc/91/49/86/357914986.db2.gz YZBBBYWPPNIJOA-RACFRTOFSA-N 2 0 221.304 -0.680 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@]12CC[NH2+]C2 ZINC000584412499 357914813 /nfs/dbraw/zinc/91/48/13/357914813.db2.gz YZBBBYWPPNIJOA-ULHKAFAUSA-N 2 0 221.304 -0.680 20 0 BBADRP CC(C)(C)[NH2+]CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000584467760 357993133 /nfs/dbraw/zinc/99/31/33/357993133.db2.gz GSJZJHPWZMNMHY-JTQLQIEISA-N 2 0 243.351 -0.131 20 0 BBADRP CC(C)(C)[NH2+]CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000584467761 357993620 /nfs/dbraw/zinc/99/36/20/357993620.db2.gz GSJZJHPWZMNMHY-SNVBAGLBSA-N 2 0 243.351 -0.131 20 0 BBADRP [NH3+]CC[C@@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000584468893 357987775 /nfs/dbraw/zinc/98/77/75/357987775.db2.gz XYHDVOGLQSMRQB-JTQLQIEISA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CC[C@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000584468894 357988057 /nfs/dbraw/zinc/98/80/57/357988057.db2.gz XYHDVOGLQSMRQB-SNVBAGLBSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000584469153 357988757 /nfs/dbraw/zinc/98/87/57/357988757.db2.gz NKDBRQLEPUAMAO-GMOBBJLQSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000584469154 357989534 /nfs/dbraw/zinc/98/95/34/357989534.db2.gz NKDBRQLEPUAMAO-MIZYBKAJSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000584469155 357989480 /nfs/dbraw/zinc/98/94/80/357989480.db2.gz NKDBRQLEPUAMAO-QFOLPQNPSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000584469156 357989476 /nfs/dbraw/zinc/98/94/76/357989476.db2.gz NKDBRQLEPUAMAO-WYFGTUCQSA-N 2 0 223.320 -0.066 20 0 BBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH3+] ZINC000584470426 357989823 /nfs/dbraw/zinc/98/98/23/357989823.db2.gz YWNMZHKALJVZLO-UHFFFAOYSA-N 2 0 208.265 -0.164 20 0 BBADRP [NH3+]C1CCC(OCC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000584481482 357997565 /nfs/dbraw/zinc/99/75/65/357997565.db2.gz QAWRTJUJIBNJJS-YVNMAJEFSA-N 2 0 241.335 -0.249 20 0 BBADRP COCC[NH2+]CC(=O)NCC1CC[NH2+]CC1 ZINC000584528806 358041851 /nfs/dbraw/zinc/04/18/51/358041851.db2.gz WPISPFRTMWHYMB-UHFFFAOYSA-N 2 0 229.324 -0.662 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000584530255 358042152 /nfs/dbraw/zinc/04/21/52/358042152.db2.gz SJJKEKSILCMQDM-BBBLOLIVSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000584530256 358041945 /nfs/dbraw/zinc/04/19/45/358041945.db2.gz SJJKEKSILCMQDM-LPEHRKFASA-N 2 0 211.309 -0.161 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000584530736 358042961 /nfs/dbraw/zinc/04/29/61/358042961.db2.gz GLAMBAMCCHUZHL-NSHDSACASA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH2+][C@H](C)C1 ZINC000584534927 358044657 /nfs/dbraw/zinc/04/46/57/358044657.db2.gz KFYGSLOGKYCXCF-NXEZZACHSA-N 2 0 201.314 -0.750 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[NH2+][C@H](C)C1 ZINC000584534928 358045017 /nfs/dbraw/zinc/04/50/17/358045017.db2.gz KFYGSLOGKYCXCF-ZJUUUORDSA-N 2 0 201.314 -0.750 20 0 BBADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C(CO)CO ZINC000584538231 358048493 /nfs/dbraw/zinc/04/84/93/358048493.db2.gz JWBTWSVOBVXBKZ-JTQLQIEISA-N 2 0 202.298 -0.587 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(CO)CO ZINC000584538232 358049184 /nfs/dbraw/zinc/04/91/84/358049184.db2.gz JWBTWSVOBVXBKZ-SNVBAGLBSA-N 2 0 202.298 -0.587 20 0 BBADRP COCC1(C(=O)NC[C@@H](C)C[NH3+])CC[NH2+]CC1 ZINC000584589756 358102886 /nfs/dbraw/zinc/10/28/86/358102886.db2.gz OIVWFYQFDIQAMT-JTQLQIEISA-N 2 0 243.351 -0.286 20 0 BBADRP COCC1(C(=O)NC[C@H](C)C[NH3+])CC[NH2+]CC1 ZINC000584589757 358103273 /nfs/dbraw/zinc/10/32/73/358103273.db2.gz OIVWFYQFDIQAMT-SNVBAGLBSA-N 2 0 243.351 -0.286 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000584589819 358103340 /nfs/dbraw/zinc/10/33/40/358103340.db2.gz UNGJTRGPLVQFAZ-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000584589820 358103306 /nfs/dbraw/zinc/10/33/06/358103306.db2.gz UNGJTRGPLVQFAZ-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@H]1CC[NH2+]1)C(F)F ZINC000584589933 358103398 /nfs/dbraw/zinc/10/33/98/358103398.db2.gz BJMRAHZCIBUTAP-NTSWFWBYSA-N 2 0 207.224 -0.553 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(F)F ZINC000584589934 358103136 /nfs/dbraw/zinc/10/31/36/358103136.db2.gz BJMRAHZCIBUTAP-PHDIDXHHSA-N 2 0 207.224 -0.553 20 0 BBADRP CCOC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000584603028 358261156 /nfs/dbraw/zinc/26/11/56/358261156.db2.gz NQPQTMYIVPYJCE-UHFFFAOYSA-N 2 0 215.297 -0.956 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000584664991 358123670 /nfs/dbraw/zinc/12/36/70/358123670.db2.gz WWKBTUXDCHYYOF-LPEHRKFASA-N 2 0 211.309 -0.195 20 0 BBADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]CC1 ZINC000584718216 358160545 /nfs/dbraw/zinc/16/05/45/358160545.db2.gz MZVNYQARNSJGKV-SECBINFHSA-N 2 0 249.318 -0.468 20 0 BBADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]CC1 ZINC000584718220 358160487 /nfs/dbraw/zinc/16/04/87/358160487.db2.gz MZVNYQARNSJGKV-VIFPVBQESA-N 2 0 249.318 -0.468 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC000584720747 358161988 /nfs/dbraw/zinc/16/19/88/358161988.db2.gz RACPBCBOSKJZCI-AEJSXWLSSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC000584720750 358161972 /nfs/dbraw/zinc/16/19/72/358161972.db2.gz RACPBCBOSKJZCI-KXUCPTDWSA-N 2 0 227.308 -0.700 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)CC(F)(F)CN ZINC000584727800 358167308 /nfs/dbraw/zinc/16/73/08/358167308.db2.gz VSKBKKUXONDEEK-LURJTMIESA-N 2 0 209.240 -0.176 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)CC(F)(F)CN ZINC000584727801 358166930 /nfs/dbraw/zinc/16/69/30/358166930.db2.gz VSKBKKUXONDEEK-ZCFIWIBFSA-N 2 0 209.240 -0.176 20 0 BBADRP CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584775537 358174868 /nfs/dbraw/zinc/17/48/68/358174868.db2.gz MTXDKBBXKVIKBO-FRRDWIJNSA-N 2 0 241.379 -0.017 20 0 BBADRP CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584775538 358174925 /nfs/dbraw/zinc/17/49/25/358174925.db2.gz MTXDKBBXKVIKBO-JHJVBQTASA-N 2 0 241.379 -0.017 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000584779538 358176261 /nfs/dbraw/zinc/17/62/61/358176261.db2.gz QXOUHKQZQWDWLQ-IVZWLZJFSA-N 2 0 229.299 -0.055 20 0 BBADRP CN1CCN(C(=O)Cc2ccon2)[C@@H](C[NH3+])C1 ZINC000584782991 358177118 /nfs/dbraw/zinc/17/71/18/358177118.db2.gz HJPGLWBRNDBMKC-JTQLQIEISA-N 2 0 238.291 -0.682 20 0 BBADRP CN1CCN(C(=O)Cc2ccon2)[C@H](C[NH3+])C1 ZINC000584782992 358177054 /nfs/dbraw/zinc/17/70/54/358177054.db2.gz HJPGLWBRNDBMKC-SNVBAGLBSA-N 2 0 238.291 -0.682 20 0 BBADRP C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CC[NH2+]1 ZINC000584790235 358179697 /nfs/dbraw/zinc/17/96/97/358179697.db2.gz MMMNLFFSXZJIIT-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP CCOC(=O)COCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000589252164 346678301 /nfs/dbraw/zinc/67/83/01/346678301.db2.gz CRWQMMVWESBGJJ-PHIMTYICSA-N 2 0 242.319 -0.283 20 0 BBADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000591744271 347695105 /nfs/dbraw/zinc/69/51/05/347695105.db2.gz MKLSBVZDETWVBD-BDAKNGLRSA-N 2 0 242.323 -0.356 20 0 BBADRP C[C@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000591744272 347695501 /nfs/dbraw/zinc/69/55/01/347695501.db2.gz MKLSBVZDETWVBD-DTWKUNHWSA-N 2 0 242.323 -0.356 20 0 BBADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000591744273 347695558 /nfs/dbraw/zinc/69/55/58/347695558.db2.gz MKLSBVZDETWVBD-IUCAKERBSA-N 2 0 242.323 -0.356 20 0 BBADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)CC[N@@H+]1C ZINC000591744274 347695422 /nfs/dbraw/zinc/69/54/22/347695422.db2.gz MKLSBVZDETWVBD-RKDXNWHRSA-N 2 0 242.323 -0.356 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592292749 347765451 /nfs/dbraw/zinc/76/54/51/347765451.db2.gz JAVCSBLQOYQKSO-BDAKNGLRSA-N 2 0 243.307 -0.865 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592292759 347765338 /nfs/dbraw/zinc/76/53/38/347765338.db2.gz JAVCSBLQOYQKSO-IUCAKERBSA-N 2 0 243.307 -0.865 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000592337293 347768446 /nfs/dbraw/zinc/76/84/46/347768446.db2.gz DHBMQVDBRIGZOQ-XHNCKOQMSA-N 2 0 249.355 -0.117 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1CCC[NH3+] ZINC000592435204 347779110 /nfs/dbraw/zinc/77/91/10/347779110.db2.gz SLJSIGYQXNBOAM-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CCC[NH3+] ZINC000592435214 347779331 /nfs/dbraw/zinc/77/93/31/347779331.db2.gz SLJSIGYQXNBOAM-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP CCOC(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472114 397949966 /nfs/dbraw/zinc/94/99/66/397949966.db2.gz MXPDTMWLASBVLT-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP COC(=O)CN(C)C(=O)CC[N@H+](C)CCC[NH3+] ZINC000592474294 347790572 /nfs/dbraw/zinc/79/05/72/347790572.db2.gz VNTHMSZIAKHKCT-UHFFFAOYSA-N 2 0 245.323 -0.712 20 0 BBADRP CNC(=O)NC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000592484934 347786393 /nfs/dbraw/zinc/78/63/93/347786393.db2.gz JPFJBZADHIJXSL-UHFFFAOYSA-N 2 0 242.323 -0.355 20 0 BBADRP C[NH2+]CCCN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592488223 347786812 /nfs/dbraw/zinc/78/68/12/347786812.db2.gz JTDMRXYAVBWXNG-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCCN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592488226 347786862 /nfs/dbraw/zinc/78/68/62/347786862.db2.gz JTDMRXYAVBWXNG-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1CC[NH2+]C1 ZINC000592490571 347787272 /nfs/dbraw/zinc/78/72/72/347787272.db2.gz ZYBMBBFVWIDCDA-GHMZBOCLSA-N 2 0 241.335 -0.567 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1CC[NH2+]C1 ZINC000592490572 347786734 /nfs/dbraw/zinc/78/67/34/347786734.db2.gz ZYBMBBFVWIDCDA-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1CC[NH2+]C1 ZINC000592490573 347787031 /nfs/dbraw/zinc/78/70/31/347787031.db2.gz ZYBMBBFVWIDCDA-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]1CC[NH2+]C1 ZINC000592490574 347787933 /nfs/dbraw/zinc/78/79/33/347787933.db2.gz ZYBMBBFVWIDCDA-WDEREUQCSA-N 2 0 241.335 -0.567 20 0 BBADRP NC(=O)NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000592493434 347787930 /nfs/dbraw/zinc/78/79/30/347787930.db2.gz QLEBFGMMEDWAEV-UHFFFAOYSA-N 2 0 240.307 -0.743 20 0 BBADRP COC(=O)C1CC[NH+](CCOCC[NH3+])CC1 ZINC000592493855 347787501 /nfs/dbraw/zinc/78/75/01/347787501.db2.gz BUXJWAQKBVMGFN-UHFFFAOYSA-N 2 0 230.308 -0.153 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H](C)[NH3+] ZINC000592547996 347799920 /nfs/dbraw/zinc/79/99/20/347799920.db2.gz KUDDQCJKLXBLRK-BDAKNGLRSA-N 2 0 243.307 -0.913 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@H](C)[NH3+] ZINC000592547999 347799906 /nfs/dbraw/zinc/79/99/06/347799906.db2.gz KUDDQCJKLXBLRK-DTWKUNHWSA-N 2 0 243.307 -0.913 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H](C)[NH3+] ZINC000592548000 347799786 /nfs/dbraw/zinc/79/97/86/347799786.db2.gz KUDDQCJKLXBLRK-IUCAKERBSA-N 2 0 243.307 -0.913 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H](C)[NH3+] ZINC000592548001 347800038 /nfs/dbraw/zinc/80/00/38/347800038.db2.gz KUDDQCJKLXBLRK-RKDXNWHRSA-N 2 0 243.307 -0.913 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592548145 347800085 /nfs/dbraw/zinc/80/00/85/347800085.db2.gz ODZAIRHBVOJZHM-DTWKUNHWSA-N 2 0 243.307 -0.913 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592548146 347800089 /nfs/dbraw/zinc/80/00/89/347800089.db2.gz ODZAIRHBVOJZHM-IUCAKERBSA-N 2 0 243.307 -0.913 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCC[NH3+] ZINC000592548439 347799882 /nfs/dbraw/zinc/79/98/82/347799882.db2.gz QCQYTEICLTUTFH-SECBINFHSA-N 2 0 243.307 -0.911 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCC[NH3+] ZINC000592548440 347799900 /nfs/dbraw/zinc/79/99/00/347799900.db2.gz QCQYTEICLTUTFH-VIFPVBQESA-N 2 0 243.307 -0.911 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592554549 347800615 /nfs/dbraw/zinc/80/06/15/347800615.db2.gz ODZAIRHBVOJZHM-BDAKNGLRSA-N 2 0 243.307 -0.913 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592554550 347800541 /nfs/dbraw/zinc/80/05/41/347800541.db2.gz ODZAIRHBVOJZHM-RKDXNWHRSA-N 2 0 243.307 -0.913 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000594577405 348075283 /nfs/dbraw/zinc/07/52/83/348075283.db2.gz PJZCZHVIWSHGII-DTORHVGOSA-N 2 0 242.323 -0.499 20 0 BBADRP CCOCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874969 348118281 /nfs/dbraw/zinc/11/82/81/348118281.db2.gz BYWUXPKLONVAHB-GHMZBOCLSA-N 2 0 241.335 -0.343 20 0 BBADRP CCOCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874970 348118173 /nfs/dbraw/zinc/11/81/73/348118173.db2.gz BYWUXPKLONVAHB-MNOVXSKESA-N 2 0 241.335 -0.343 20 0 BBADRP CCOCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594874971 348117918 /nfs/dbraw/zinc/11/79/18/348117918.db2.gz BYWUXPKLONVAHB-QWRGUYRKSA-N 2 0 241.335 -0.343 20 0 BBADRP CCOCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874972 348118366 /nfs/dbraw/zinc/11/83/66/348118366.db2.gz BYWUXPKLONVAHB-WDEREUQCSA-N 2 0 241.335 -0.343 20 0 BBADRP COC(=O)C1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000595891642 348390096 /nfs/dbraw/zinc/39/00/96/348390096.db2.gz JNLRKHCHNYZDMP-LLVKDONJSA-N 2 0 242.319 -0.140 20 0 BBADRP COC(=O)C1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000595892006 348390286 /nfs/dbraw/zinc/39/02/86/348390286.db2.gz JNLRKHCHNYZDMP-NSHDSACASA-N 2 0 242.319 -0.140 20 0 BBADRP COC(=O)CCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595896851 348387913 /nfs/dbraw/zinc/38/79/13/348387913.db2.gz LUHYUUJABOXKQA-UHFFFAOYSA-N 2 0 230.308 -0.356 20 0 BBADRP CNC(=O)NC(=O)CCN(C)CC(C)(C)[NH3+] ZINC000595897842 348393839 /nfs/dbraw/zinc/39/38/39/348393839.db2.gz DHXXNYKWMNBMNE-UHFFFAOYSA-N 2 0 230.312 -0.499 20 0 BBADRP CCOC(=O)C12CC(C1)CN2CCOCC[NH3+] ZINC000595904820 348395933 /nfs/dbraw/zinc/39/59/33/348395933.db2.gz LTJQTUZLJPKLPO-UHFFFAOYSA-N 2 0 242.319 -0.011 20 0 BBADRP COC[C@@]1(C(=O)OC)CCCN1CCC[NH3+] ZINC000595905517 348396617 /nfs/dbraw/zinc/39/66/17/348396617.db2.gz URBNIYLEGAHWGZ-LLVKDONJSA-N 2 0 230.308 -0.011 20 0 BBADRP COC[C@]1(C(=O)OC)CCCN1CCC[NH3+] ZINC000595905518 348396344 /nfs/dbraw/zinc/39/63/44/348396344.db2.gz URBNIYLEGAHWGZ-NSHDSACASA-N 2 0 230.308 -0.011 20 0 BBADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCOCC[NH3+])C1 ZINC000595905899 348396647 /nfs/dbraw/zinc/39/66/47/348396647.db2.gz XGYKIONWDDMZNW-AOOOYVTPSA-N 2 0 230.308 -0.155 20 0 BBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934181 348393821 /nfs/dbraw/zinc/39/38/21/348393821.db2.gz KWNQPNKURRFJCB-MRVPVSSYSA-N 2 0 245.323 -0.537 20 0 BBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934182 348393807 /nfs/dbraw/zinc/39/38/07/348393807.db2.gz KWNQPNKURRFJCB-QMMMGPOBSA-N 2 0 245.323 -0.537 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595938855 348408898 /nfs/dbraw/zinc/40/88/98/348408898.db2.gz QFLSOTNZVCBMMJ-BDAKNGLRSA-N 2 0 245.323 -0.667 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000595938862 348408733 /nfs/dbraw/zinc/40/87/33/348408733.db2.gz QFLSOTNZVCBMMJ-IUCAKERBSA-N 2 0 245.323 -0.667 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595946189 348411338 /nfs/dbraw/zinc/41/13/38/348411338.db2.gz JVGVIOLHTHPXHK-INWMGODYSA-N 2 0 243.376 -0.065 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595946194 348411729 /nfs/dbraw/zinc/41/17/29/348411729.db2.gz JVGVIOLHTHPXHK-YUCVTWSNSA-N 2 0 243.376 -0.065 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595946857 348411379 /nfs/dbraw/zinc/41/13/79/348411379.db2.gz JAKNOVBRVFCDCY-HRDYMLBCSA-N 2 0 249.355 -0.036 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595946859 348411531 /nfs/dbraw/zinc/41/15/31/348411531.db2.gz JAKNOVBRVFCDCY-IWSPIJDZSA-N 2 0 249.355 -0.036 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595952276 348403466 /nfs/dbraw/zinc/40/34/66/348403466.db2.gz XYLMTSMVRRUQKS-BDAKNGLRSA-N 2 0 245.323 -0.634 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000595952514 348404184 /nfs/dbraw/zinc/40/41/84/348404184.db2.gz DDSNTSILHWVMSD-QMMMGPOBSA-N 2 0 243.307 -0.736 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000595981506 348416923 /nfs/dbraw/zinc/41/69/23/348416923.db2.gz DMVGFVPWLYXMKS-HTQZYQBOSA-N 2 0 219.354 -0.209 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000595981507 348416697 /nfs/dbraw/zinc/41/66/97/348416697.db2.gz DMVGFVPWLYXMKS-JGVFFNPUSA-N 2 0 219.354 -0.209 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])CCSC ZINC000595981508 348416843 /nfs/dbraw/zinc/41/68/43/348416843.db2.gz DMVGFVPWLYXMKS-SFYZADRCSA-N 2 0 219.354 -0.209 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])CCSC ZINC000595981509 348416704 /nfs/dbraw/zinc/41/67/04/348416704.db2.gz DMVGFVPWLYXMKS-YUMQZZPRSA-N 2 0 219.354 -0.209 20 0 BBADRP NC(=O)NC(=O)CCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598681097 349014796 /nfs/dbraw/zinc/01/47/96/349014796.db2.gz DSDXBJORAXFCGU-GZMMTYOYSA-N 2 0 240.307 -0.615 20 0 BBADRP NC(=O)NC(=O)CCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598681098 349015058 /nfs/dbraw/zinc/01/50/58/349015058.db2.gz DSDXBJORAXFCGU-KCJUWKMLSA-N 2 0 240.307 -0.615 20 0 BBADRP NC(=O)NC(=O)CCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598681099 349014984 /nfs/dbraw/zinc/01/49/84/349014984.db2.gz DSDXBJORAXFCGU-KWQFWETISA-N 2 0 240.307 -0.615 20 0 BBADRP COC(=O)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600716631 344362303 /nfs/dbraw/zinc/36/23/03/344362303.db2.gz ZQTCISBVRFZERR-LLVKDONJSA-N 2 0 244.335 -0.014 20 0 BBADRP COC(=O)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600716632 344362237 /nfs/dbraw/zinc/36/22/37/344362237.db2.gz ZQTCISBVRFZERR-NSHDSACASA-N 2 0 244.335 -0.014 20 0 BBADRP COC(=O)[C@@H](C)N(C)CCOCC[NH3+] ZINC000600735624 344365055 /nfs/dbraw/zinc/36/50/55/344365055.db2.gz MQQJYNMOUHNADW-MRVPVSSYSA-N 2 0 204.270 -0.545 20 0 BBADRP COC(=O)[C@H](C)N(C)CCOCC[NH3+] ZINC000600735628 344365089 /nfs/dbraw/zinc/36/50/89/344365089.db2.gz MQQJYNMOUHNADW-QMMMGPOBSA-N 2 0 204.270 -0.545 20 0 BBADRP CCOC(=O)CN(C)CCOCC[NH3+] ZINC000600735706 344365225 /nfs/dbraw/zinc/36/52/25/344365225.db2.gz NQWDKJLJVZODQW-UHFFFAOYSA-N 2 0 204.270 -0.543 20 0 BBADRP CCOC(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000600739589 344366437 /nfs/dbraw/zinc/36/64/37/344366437.db2.gz DDCNTQQMBYOZOA-UHFFFAOYSA-N 2 0 218.297 -0.153 20 0 BBADRP COC(=O)CCC[N@H+](C)CCOCC[NH3+] ZINC000600740482 344366912 /nfs/dbraw/zinc/36/69/12/344366912.db2.gz IIVOWLSLDHNACR-UHFFFAOYSA-N 2 0 218.297 -0.153 20 0 BBADRP CNC(=O)NC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326065 347207744 /nfs/dbraw/zinc/20/77/44/347207744.db2.gz IZRJVDIMUWYFCA-RKDXNWHRSA-N 2 0 242.323 -0.641 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])CCSC ZINC000602534131 349602228 /nfs/dbraw/zinc/60/22/28/349602228.db2.gz FPANIABYDLXHOW-MRVPVSSYSA-N 2 0 219.354 -0.126 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])CCSC ZINC000602534134 349602176 /nfs/dbraw/zinc/60/21/76/349602176.db2.gz FPANIABYDLXHOW-QMMMGPOBSA-N 2 0 219.354 -0.126 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000602535805 349602948 /nfs/dbraw/zinc/60/29/48/349602948.db2.gz SUPWFUFPJXNIFO-MRVPVSSYSA-N 2 0 231.296 -0.926 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000602535806 349602847 /nfs/dbraw/zinc/60/28/47/349602847.db2.gz SUPWFUFPJXNIFO-QMMMGPOBSA-N 2 0 231.296 -0.926 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000602544363 349588895 /nfs/dbraw/zinc/58/88/95/349588895.db2.gz QPICZZUBDZSANF-XHNCKOQMSA-N 2 0 243.307 -0.867 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000602549793 349592260 /nfs/dbraw/zinc/59/22/60/349592260.db2.gz DYIXOTCXYMZIPR-SECBINFHSA-N 2 0 249.380 -0.500 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000602549794 349591998 /nfs/dbraw/zinc/59/19/98/349591998.db2.gz DYIXOTCXYMZIPR-VIFPVBQESA-N 2 0 249.380 -0.500 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000602550940 349592838 /nfs/dbraw/zinc/59/28/38/349592838.db2.gz AGXCWYLBVBEBMZ-CIUDSAMLSA-N 2 0 243.307 -0.867 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602550942 349592996 /nfs/dbraw/zinc/59/29/96/349592996.db2.gz AGXCWYLBVBEBMZ-HLTSFMKQSA-N 2 0 243.307 -0.867 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000602550943 349593094 /nfs/dbraw/zinc/59/30/94/349593094.db2.gz AGXCWYLBVBEBMZ-VGMNWLOBSA-N 2 0 243.307 -0.867 20 0 BBADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000602550944 349592916 /nfs/dbraw/zinc/59/29/16/349592916.db2.gz AGXCWYLBVBEBMZ-YIZRAAEISA-N 2 0 243.307 -0.867 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602570065 349620909 /nfs/dbraw/zinc/62/09/09/349620909.db2.gz HFJIHELKOXAUDX-XHNCKOQMSA-N 2 0 231.365 -0.067 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602573315 349622913 /nfs/dbraw/zinc/62/29/13/349622913.db2.gz HFJIHELKOXAUDX-DJLDLDEBSA-N 2 0 231.365 -0.067 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602598142 349645183 /nfs/dbraw/zinc/64/51/83/349645183.db2.gz BXRBDFVKRALBCT-CIUDSAMLSA-N 2 0 229.349 -0.361 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602598143 349644923 /nfs/dbraw/zinc/64/49/23/349644923.db2.gz BXRBDFVKRALBCT-XHNCKOQMSA-N 2 0 229.349 -0.361 20 0 BBADRP CNC(=O)NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603431669 349953326 /nfs/dbraw/zinc/95/33/26/349953326.db2.gz GBIBNULYTVBKGG-HTQZYQBOSA-N 2 0 242.323 -0.453 20 0 BBADRP CNC(=O)NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603431691 349953255 /nfs/dbraw/zinc/95/32/55/349953255.db2.gz GBIBNULYTVBKGG-JGVFFNPUSA-N 2 0 242.323 -0.453 20 0 BBADRP CNC(=O)NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603431693 349953241 /nfs/dbraw/zinc/95/32/41/349953241.db2.gz GBIBNULYTVBKGG-SFYZADRCSA-N 2 0 242.323 -0.453 20 0 BBADRP CNC(=O)NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603431695 349953268 /nfs/dbraw/zinc/95/32/68/349953268.db2.gz GBIBNULYTVBKGG-YUMQZZPRSA-N 2 0 242.323 -0.453 20 0 BBADRP CNC(=O)NC(=O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000603433440 349961547 /nfs/dbraw/zinc/96/15/47/349961547.db2.gz NPTSFGDMZPHBNC-BQBZGAKWSA-N 2 0 228.296 -0.843 20 0 BBADRP CNC(=O)NC(=O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603433441 349961381 /nfs/dbraw/zinc/96/13/81/349961381.db2.gz NPTSFGDMZPHBNC-NKWVEPMBSA-N 2 0 228.296 -0.843 20 0 BBADRP CNC(=O)NC(=O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603433442 349961233 /nfs/dbraw/zinc/96/12/33/349961233.db2.gz NPTSFGDMZPHBNC-RNFRBKRXSA-N 2 0 228.296 -0.843 20 0 BBADRP CNC(=O)NC(=O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603433443 349961509 /nfs/dbraw/zinc/96/15/09/349961509.db2.gz NPTSFGDMZPHBNC-RQJHMYQMSA-N 2 0 228.296 -0.843 20 0 BBADRP O[C@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](O)C2)C1 ZINC000603935849 350059532 /nfs/dbraw/zinc/05/95/32/350059532.db2.gz ZXSNJCWDOWUDJX-ZMCHVJTCSA-N 2 0 226.320 -0.324 20 0 BBADRP NC(=O)NC(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000604483034 350138519 /nfs/dbraw/zinc/13/85/19/350138519.db2.gz UYPPOCPCTPCGBS-DTORHVGOSA-N 2 0 240.307 -0.887 20 0 BBADRP NC(=O)NC(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000604483035 350138379 /nfs/dbraw/zinc/13/83/79/350138379.db2.gz UYPPOCPCTPCGBS-IUCAKERBSA-N 2 0 240.307 -0.887 20 0 BBADRP NC(=O)NC(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000604483036 350138703 /nfs/dbraw/zinc/13/87/03/350138703.db2.gz UYPPOCPCTPCGBS-RKDXNWHRSA-N 2 0 240.307 -0.887 20 0 BBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C1([NH+](C)C)CC1 ZINC000612872645 360147539 /nfs/dbraw/zinc/14/75/39/360147539.db2.gz YNJDAIMNMSSPMH-LLVKDONJSA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C1([NH+](C)C)CC1 ZINC000612872649 360147719 /nfs/dbraw/zinc/14/77/19/360147719.db2.gz YNJDAIMNMSSPMH-NSHDSACASA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000612907712 360170977 /nfs/dbraw/zinc/17/09/77/360170977.db2.gz GSWYDCUZCPTIQM-GXSJLCMTSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000612907715 360170886 /nfs/dbraw/zinc/17/08/86/360170886.db2.gz GSWYDCUZCPTIQM-ONGXEEELSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612908082 360171870 /nfs/dbraw/zinc/17/18/70/360171870.db2.gz BWYFHLUYHDMDDV-GXSJLCMTSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612908083 360171302 /nfs/dbraw/zinc/17/13/02/360171302.db2.gz BWYFHLUYHDMDDV-ONGXEEELSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@]1(NC(=O)NC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612911730 360174062 /nfs/dbraw/zinc/17/40/62/360174062.db2.gz QDZPRQBJFJPJOV-LLVKDONJSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@]1(NC(=O)NC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612911731 360174114 /nfs/dbraw/zinc/17/41/14/360174114.db2.gz QDZPRQBJFJPJOV-NSHDSACASA-N 2 0 226.324 -0.210 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612912181 360174958 /nfs/dbraw/zinc/17/49/58/360174958.db2.gz UNKFLHKMJAIYBX-JTQLQIEISA-N 2 0 214.313 -0.353 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612912185 360174946 /nfs/dbraw/zinc/17/49/46/360174946.db2.gz UNKFLHKMJAIYBX-SNVBAGLBSA-N 2 0 214.313 -0.353 20 0 BBADRP C[C@@]1(NC(=O)NCCC[NH3+])CC[NH2+]C1 ZINC000612913313 360183308 /nfs/dbraw/zinc/18/33/08/360183308.db2.gz BHFMNKFQFWIPMJ-SECBINFHSA-N 2 0 200.286 -0.614 20 0 BBADRP C[C@]1(NC(=O)NCCC[NH3+])CC[NH2+]C1 ZINC000612913316 360183518 /nfs/dbraw/zinc/18/35/18/360183518.db2.gz BHFMNKFQFWIPMJ-VIFPVBQESA-N 2 0 200.286 -0.614 20 0 BBADRP C[C@@]1(NC(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000612913986 360187710 /nfs/dbraw/zinc/18/77/10/360187710.db2.gz HEWIMMCGSMOVIP-GXSJLCMTSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@]1(NC(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000612913987 360187834 /nfs/dbraw/zinc/18/78/34/360187834.db2.gz HEWIMMCGSMOVIP-KOLCDFICSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@@]1(NC(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000612913988 360187792 /nfs/dbraw/zinc/18/77/92/360187792.db2.gz HEWIMMCGSMOVIP-MWLCHTKSSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@]1(NC(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000612913989 360187765 /nfs/dbraw/zinc/18/77/65/360187765.db2.gz HEWIMMCGSMOVIP-ONGXEEELSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612914227 360187900 /nfs/dbraw/zinc/18/79/00/360187900.db2.gz BZHCCFLHBBVIFV-PSASIEDQSA-N 2 0 214.313 -0.368 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612914228 360187852 /nfs/dbraw/zinc/18/78/52/360187852.db2.gz BZHCCFLHBBVIFV-SCZZXKLOSA-N 2 0 214.313 -0.368 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612914229 360187474 /nfs/dbraw/zinc/18/74/74/360187474.db2.gz BZHCCFLHBBVIFV-WCBMZHEXSA-N 2 0 214.313 -0.368 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612914230 360187464 /nfs/dbraw/zinc/18/74/64/360187464.db2.gz BZHCCFLHBBVIFV-WPRPVWTQSA-N 2 0 214.313 -0.368 20 0 BBADRP COCC[NH2+]CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612914449 360187978 /nfs/dbraw/zinc/18/79/78/360187978.db2.gz DCPRIEJZWBHJEP-LLVKDONJSA-N 2 0 244.339 -0.726 20 0 BBADRP COCC[NH2+]CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612914450 360188671 /nfs/dbraw/zinc/18/86/71/360188671.db2.gz DCPRIEJZWBHJEP-NSHDSACASA-N 2 0 244.339 -0.726 20 0 BBADRP C[C@]1(NC(=O)NCC2C[NH2+]C2)CC[NH2+]C1 ZINC000612914510 360188519 /nfs/dbraw/zinc/18/85/19/360188519.db2.gz FYXVTOXVXYMWRW-JTQLQIEISA-N 2 0 212.297 -0.743 20 0 BBADRP C[C@@]1(NC(=O)NCC2C[NH2+]C2)CC[NH2+]C1 ZINC000612914511 360188904 /nfs/dbraw/zinc/18/89/04/360188904.db2.gz FYXVTOXVXYMWRW-SNVBAGLBSA-N 2 0 212.297 -0.743 20 0 BBADRP C[C@@]1(NC(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000612914733 360188591 /nfs/dbraw/zinc/18/85/91/360188591.db2.gz NPHXPNQQHNUNPK-LLVKDONJSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@]1(NC(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000612914735 360189058 /nfs/dbraw/zinc/18/90/58/360189058.db2.gz NPHXPNQQHNUNPK-NSHDSACASA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@@]1(NC(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000612914774 360188744 /nfs/dbraw/zinc/18/87/44/360188744.db2.gz HCPANUBZOMHSGB-GXSJLCMTSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@]1(NC(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000612914775 360188923 /nfs/dbraw/zinc/18/89/23/360188923.db2.gz HCPANUBZOMHSGB-KOLCDFICSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@@]1(NC(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000612914776 360188820 /nfs/dbraw/zinc/18/88/20/360188820.db2.gz HCPANUBZOMHSGB-MWLCHTKSSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@]1(NC(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000612914777 360188542 /nfs/dbraw/zinc/18/85/42/360188542.db2.gz HCPANUBZOMHSGB-ONGXEEELSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@@]1(NC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000612914879 360189758 /nfs/dbraw/zinc/18/97/58/360189758.db2.gz OCKRGHLBUAHEDW-PSASIEDQSA-N 2 0 212.297 -0.601 20 0 BBADRP C[C@]1(NC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000612914880 360189344 /nfs/dbraw/zinc/18/93/44/360189344.db2.gz OCKRGHLBUAHEDW-SCZZXKLOSA-N 2 0 212.297 -0.601 20 0 BBADRP C[C@@]1(NC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000612914881 360189520 /nfs/dbraw/zinc/18/95/20/360189520.db2.gz OCKRGHLBUAHEDW-WCBMZHEXSA-N 2 0 212.297 -0.601 20 0 BBADRP C[C@]1(NC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000612914882 360189391 /nfs/dbraw/zinc/18/93/91/360189391.db2.gz OCKRGHLBUAHEDW-WPRPVWTQSA-N 2 0 212.297 -0.601 20 0 BBADRP C[C@@]1(NC(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000612915149 360189789 /nfs/dbraw/zinc/18/97/89/360189789.db2.gz NEWUIYYRTJJMOZ-GXSJLCMTSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@]1(NC(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000612915150 360189682 /nfs/dbraw/zinc/18/96/82/360189682.db2.gz NEWUIYYRTJJMOZ-ONGXEEELSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612916354 360175882 /nfs/dbraw/zinc/17/58/82/360175882.db2.gz XWAIBKOKZRJLTE-PSASIEDQSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612916355 360175978 /nfs/dbraw/zinc/17/59/78/360175978.db2.gz XWAIBKOKZRJLTE-SCZZXKLOSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612916356 360175700 /nfs/dbraw/zinc/17/57/00/360175700.db2.gz XWAIBKOKZRJLTE-WCBMZHEXSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612916357 360175356 /nfs/dbraw/zinc/17/53/56/360175356.db2.gz XWAIBKOKZRJLTE-WPRPVWTQSA-N 2 0 214.313 -0.225 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612916565 360176689 /nfs/dbraw/zinc/17/66/89/360176689.db2.gz YUNMYXNQLNKSEK-JTQLQIEISA-N 2 0 214.313 -0.353 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612916567 360176923 /nfs/dbraw/zinc/17/69/23/360176923.db2.gz YUNMYXNQLNKSEK-SNVBAGLBSA-N 2 0 214.313 -0.353 20 0 BBADRP C[NH2+]CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612916650 360176584 /nfs/dbraw/zinc/17/65/84/360176584.db2.gz ZKAMXWIBJMTEMY-SECBINFHSA-N 2 0 200.286 -0.743 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612916651 360176440 /nfs/dbraw/zinc/17/64/40/360176440.db2.gz ZKAMXWIBJMTEMY-VIFPVBQESA-N 2 0 200.286 -0.743 20 0 BBADRP C[C@]1(NC(=O)NCC2([NH3+])CCC2)CC[NH2+]C1 ZINC000612916754 360176497 /nfs/dbraw/zinc/17/64/97/360176497.db2.gz RBLROMDYFUWEHU-JTQLQIEISA-N 2 0 226.324 -0.081 20 0 BBADRP C[C@@]1(NC(=O)NCC2([NH3+])CCC2)CC[NH2+]C1 ZINC000612916755 360176456 /nfs/dbraw/zinc/17/64/56/360176456.db2.gz RBLROMDYFUWEHU-SNVBAGLBSA-N 2 0 226.324 -0.081 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612917104 360176408 /nfs/dbraw/zinc/17/64/08/360176408.db2.gz UCTHWFQIXAJNNW-APPZFPTMSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612917105 360176782 /nfs/dbraw/zinc/17/67/82/360176782.db2.gz UCTHWFQIXAJNNW-VXNVDRBHSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@@]1(NC(=O)NCC2=CC[NH2+]CC2)CC[NH2+]C1 ZINC000612917792 360177537 /nfs/dbraw/zinc/17/75/37/360177537.db2.gz YMLVKHPVNUBIEI-GFCCVEGCSA-N 2 0 238.335 -0.043 20 0 BBADRP C[C@]1(NC(=O)NCC2=CC[NH2+]CC2)CC[NH2+]C1 ZINC000612917793 360178083 /nfs/dbraw/zinc/17/80/83/360178083.db2.gz YMLVKHPVNUBIEI-LBPRGKRZSA-N 2 0 238.335 -0.043 20 0 BBADRP CC(C)([NH3+])CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612918258 360177424 /nfs/dbraw/zinc/17/74/24/360177424.db2.gz LXZIWXZAEYDUBS-JTQLQIEISA-N 2 0 214.313 -0.225 20 0 BBADRP CC(C)([NH3+])CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612918260 360178078 /nfs/dbraw/zinc/17/80/78/360178078.db2.gz LXZIWXZAEYDUBS-SNVBAGLBSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@]1(NC(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000612918430 360178798 /nfs/dbraw/zinc/17/87/98/360178798.db2.gz NEWUIYYRTJJMOZ-KOLCDFICSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@@]1(NC(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000612918431 360178772 /nfs/dbraw/zinc/17/87/72/360178772.db2.gz NEWUIYYRTJJMOZ-MWLCHTKSSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@@]1(NC(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000612919089 360178587 /nfs/dbraw/zinc/17/85/87/360178587.db2.gz RXHQACDYXBEYES-GXSJLCMTSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@]1(NC(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000612919090 360178939 /nfs/dbraw/zinc/17/89/39/360178939.db2.gz RXHQACDYXBEYES-KOLCDFICSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@@]1(NC(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000612919091 360178876 /nfs/dbraw/zinc/17/88/76/360178876.db2.gz RXHQACDYXBEYES-MWLCHTKSSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@]1(NC(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000612919092 360178736 /nfs/dbraw/zinc/17/87/36/360178736.db2.gz RXHQACDYXBEYES-ONGXEEELSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612922296 360182786 /nfs/dbraw/zinc/18/27/86/360182786.db2.gz DICMMTMWRMTCDF-APPZFPTMSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612922297 360182720 /nfs/dbraw/zinc/18/27/20/360182720.db2.gz DICMMTMWRMTCDF-CBAPKCEASA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612922298 360182838 /nfs/dbraw/zinc/18/28/38/360182838.db2.gz DICMMTMWRMTCDF-IONNQARKSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612922299 360182847 /nfs/dbraw/zinc/18/28/47/360182847.db2.gz DICMMTMWRMTCDF-VXNVDRBHSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612922891 360183852 /nfs/dbraw/zinc/18/38/52/360183852.db2.gz DQCDEDMFXBODDI-NRPADANISA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612922895 360183398 /nfs/dbraw/zinc/18/33/98/360183398.db2.gz DQCDEDMFXBODDI-OYNCUSHFSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@H](C)[NH3+] ZINC000612922896 360183249 /nfs/dbraw/zinc/18/32/49/360183249.db2.gz DQCDEDMFXBODDI-QXFUBDJGSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@H](C)[NH3+] ZINC000612922897 360183639 /nfs/dbraw/zinc/18/36/39/360183639.db2.gz DQCDEDMFXBODDI-XKSSXDPKSA-N 2 0 214.313 -0.227 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612923437 411269891 /nfs/dbraw/zinc/26/98/91/411269891.db2.gz IDHWJJMXJAIBRM-PSASIEDQSA-N 2 0 214.313 -0.225 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612923438 411269860 /nfs/dbraw/zinc/26/98/60/411269860.db2.gz IDHWJJMXJAIBRM-SCZZXKLOSA-N 2 0 214.313 -0.225 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612923439 411269878 /nfs/dbraw/zinc/26/98/78/411269878.db2.gz IDHWJJMXJAIBRM-WCBMZHEXSA-N 2 0 214.313 -0.225 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612923440 411269854 /nfs/dbraw/zinc/26/98/54/411269854.db2.gz IDHWJJMXJAIBRM-WPRPVWTQSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@@]1(NC(=O)NC/C=C\C[NH3+])CC[NH2+]C1 ZINC000612923482 360193836 /nfs/dbraw/zinc/19/38/36/360193836.db2.gz CMXLSSGNIIBEIW-MXQLGCADSA-N 2 0 212.297 -0.448 20 0 BBADRP C[C@]1(NC(=O)NC/C=C/C[NH3+])CC[NH2+]C1 ZINC000612923483 360193667 /nfs/dbraw/zinc/19/36/67/360193667.db2.gz CMXLSSGNIIBEIW-PBKGFPTLSA-N 2 0 212.297 -0.448 20 0 BBADRP C[C@@]1(NC(=O)NC/C=C/C[NH3+])CC[NH2+]C1 ZINC000612923484 360193787 /nfs/dbraw/zinc/19/37/87/360193787.db2.gz CMXLSSGNIIBEIW-VMZHVLLKSA-N 2 0 212.297 -0.448 20 0 BBADRP C[C@]1(NC(=O)NC/C=C\C[NH3+])CC[NH2+]C1 ZINC000612923485 360194222 /nfs/dbraw/zinc/19/42/22/360194222.db2.gz CMXLSSGNIIBEIW-ZMWSMAPVSA-N 2 0 212.297 -0.448 20 0 BBADRP C[C@]1(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]C1 ZINC000612923602 360193957 /nfs/dbraw/zinc/19/39/57/360193957.db2.gz FBDAYGMXGDCGKC-SJQPAMGKSA-N 2 0 224.308 -0.745 20 0 BBADRP C[C@@]1(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[NH2+]C1 ZINC000612923603 360193769 /nfs/dbraw/zinc/19/37/69/360193769.db2.gz FBDAYGMXGDCGKC-UYAYMFIHSA-N 2 0 224.308 -0.745 20 0 BBADRP C[C@@]1(NC(=O)NC[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000612925558 360196051 /nfs/dbraw/zinc/19/60/51/360196051.db2.gz XGNKBGOFAQRDGS-GXSJLCMTSA-N 2 0 242.323 -0.974 20 0 BBADRP C[C@]1(NC(=O)NC[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000612925562 360196535 /nfs/dbraw/zinc/19/65/35/360196535.db2.gz XGNKBGOFAQRDGS-KOLCDFICSA-N 2 0 242.323 -0.974 20 0 BBADRP C[C@@]1(NC(=O)NC[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000612925566 360196658 /nfs/dbraw/zinc/19/66/58/360196658.db2.gz XGNKBGOFAQRDGS-MWLCHTKSSA-N 2 0 242.323 -0.974 20 0 BBADRP C[C@]1(NC(=O)NC[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000612925567 360196619 /nfs/dbraw/zinc/19/66/19/360196619.db2.gz XGNKBGOFAQRDGS-ONGXEEELSA-N 2 0 242.323 -0.974 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612929122 360197363 /nfs/dbraw/zinc/19/73/63/360197363.db2.gz FBVOXEKWOYRDJS-PSASIEDQSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612929123 360197620 /nfs/dbraw/zinc/19/76/20/360197620.db2.gz FBVOXEKWOYRDJS-SCZZXKLOSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612929124 360197680 /nfs/dbraw/zinc/19/76/80/360197680.db2.gz FBVOXEKWOYRDJS-WCBMZHEXSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612929125 360197092 /nfs/dbraw/zinc/19/70/92/360197092.db2.gz FBVOXEKWOYRDJS-WPRPVWTQSA-N 2 0 214.313 -0.355 20 0 BBADRP C[C@@]1(NC(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000612931491 360202930 /nfs/dbraw/zinc/20/29/30/360202930.db2.gz XUPCCGPTYNXREU-CKBZRRDASA-N 2 0 238.335 -0.210 20 0 BBADRP C[C@]1(NC(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000612931492 360203033 /nfs/dbraw/zinc/20/30/33/360203033.db2.gz XUPCCGPTYNXREU-ZYXZCXLHSA-N 2 0 238.335 -0.210 20 0 BBADRP C[NH+](C)CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612976823 487621854 /nfs/dbraw/zinc/62/18/54/487621854.db2.gz SXJQUNCRRZKHOY-JTQLQIEISA-N 2 0 240.351 -0.011 20 0 BBADRP C[NH+](C)CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612976828 487621993 /nfs/dbraw/zinc/62/19/93/487621993.db2.gz SXJQUNCRRZKHOY-SNVBAGLBSA-N 2 0 240.351 -0.011 20 0 BBADRP [NH3+]CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612985148 360239221 /nfs/dbraw/zinc/23/92/21/360239221.db2.gz DVPMWJFLAKDLHD-MRVPVSSYSA-N 2 0 212.297 -0.614 20 0 BBADRP [NH3+]CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985149 360239115 /nfs/dbraw/zinc/23/91/15/360239115.db2.gz DVPMWJFLAKDLHD-QMMMGPOBSA-N 2 0 212.297 -0.614 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612986934 360239194 /nfs/dbraw/zinc/23/91/94/360239194.db2.gz MJRHRRSTIPBWEH-NXEZZACHSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612986943 360239090 /nfs/dbraw/zinc/23/90/90/360239090.db2.gz MJRHRRSTIPBWEH-UWVGGRQHSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612986944 360239106 /nfs/dbraw/zinc/23/91/06/360239106.db2.gz MJRHRRSTIPBWEH-VHSXEESVSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612986945 360239036 /nfs/dbraw/zinc/23/90/36/360239036.db2.gz MJRHRRSTIPBWEH-ZJUUUORDSA-N 2 0 238.335 -0.129 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987499 360239244 /nfs/dbraw/zinc/23/92/44/360239244.db2.gz OGHYUUHYTSVCDH-SECBINFHSA-N 2 0 226.324 -0.353 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987500 360239067 /nfs/dbraw/zinc/23/90/67/360239067.db2.gz OGHYUUHYTSVCDH-VIFPVBQESA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000612987533 360238819 /nfs/dbraw/zinc/23/88/19/360238819.db2.gz OSXFPSWVYSHOKN-JTQLQIEISA-N 2 0 238.335 -0.257 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000612987534 360239003 /nfs/dbraw/zinc/23/90/03/360239003.db2.gz OSXFPSWVYSHOKN-SNVBAGLBSA-N 2 0 238.335 -0.257 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[NH2+]C1 ZINC000612988657 360239971 /nfs/dbraw/zinc/23/99/71/360239971.db2.gz UXWWNKRPZUKKSE-NXEZZACHSA-N 2 0 238.335 -0.210 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CC[NH2+]C1 ZINC000612988658 360239666 /nfs/dbraw/zinc/23/96/66/360239666.db2.gz UXWWNKRPZUKKSE-UWVGGRQHSA-N 2 0 238.335 -0.210 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CC[NH2+]C1 ZINC000612988659 360240132 /nfs/dbraw/zinc/24/01/32/360240132.db2.gz UXWWNKRPZUKKSE-VHSXEESVSA-N 2 0 238.335 -0.210 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[NH2+]C1 ZINC000612988660 360240186 /nfs/dbraw/zinc/24/01/86/360240186.db2.gz UXWWNKRPZUKKSE-ZJUUUORDSA-N 2 0 238.335 -0.210 20 0 BBADRP [NH3+]CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612989443 360240110 /nfs/dbraw/zinc/24/01/10/360240110.db2.gz YLYCUQOIMSWCGB-SECBINFHSA-N 2 0 226.324 -0.224 20 0 BBADRP [NH3+]CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612989445 360240162 /nfs/dbraw/zinc/24/01/62/360240162.db2.gz YLYCUQOIMSWCGB-VIFPVBQESA-N 2 0 226.324 -0.224 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612992314 360248205 /nfs/dbraw/zinc/24/82/05/360248205.db2.gz CORRJXDDEBEDFF-BDAKNGLRSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612992315 360248261 /nfs/dbraw/zinc/24/82/61/360248261.db2.gz CORRJXDDEBEDFF-RKDXNWHRSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]C/C=C\CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612992591 360248188 /nfs/dbraw/zinc/24/81/88/360248188.db2.gz HXGBWVXLJJQJDQ-JWXWKVPASA-N 2 0 238.335 -0.057 20 0 BBADRP [NH3+]C/C=C\CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612992594 360248207 /nfs/dbraw/zinc/24/82/07/360248207.db2.gz HXGBWVXLJJQJDQ-SYBPUXJVSA-N 2 0 238.335 -0.057 20 0 BBADRP [NH3+]C/C=C/CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612992596 360248329 /nfs/dbraw/zinc/24/83/29/360248329.db2.gz HXGBWVXLJJQJDQ-TXXBHVLJSA-N 2 0 238.335 -0.057 20 0 BBADRP [NH3+]C/C=C/CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612992597 360248338 /nfs/dbraw/zinc/24/83/38/360248338.db2.gz HXGBWVXLJJQJDQ-YOLVWIGZSA-N 2 0 238.335 -0.057 20 0 BBADRP CN(CC[NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995185 360249355 /nfs/dbraw/zinc/24/93/55/360249355.db2.gz WURINOQNRHVPED-SECBINFHSA-N 2 0 226.324 -0.271 20 0 BBADRP CN(CC[NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995186 360248991 /nfs/dbraw/zinc/24/89/91/360248991.db2.gz WURINOQNRHVPED-VIFPVBQESA-N 2 0 226.324 -0.271 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995645 360249238 /nfs/dbraw/zinc/24/92/38/360249238.db2.gz YRCHHFMCCSIPCI-BDAKNGLRSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995647 360249103 /nfs/dbraw/zinc/24/91/03/360249103.db2.gz YRCHHFMCCSIPCI-DTWKUNHWSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995648 360249028 /nfs/dbraw/zinc/24/90/28/360249028.db2.gz YRCHHFMCCSIPCI-IUCAKERBSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995649 360248875 /nfs/dbraw/zinc/24/88/75/360248875.db2.gz YRCHHFMCCSIPCI-RKDXNWHRSA-N 2 0 226.324 -0.225 20 0 BBADRP C[NH+](C)C1CN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000613123608 360392190 /nfs/dbraw/zinc/39/21/90/360392190.db2.gz SJVLLHCQDXOHHG-UHFFFAOYSA-N 2 0 211.309 -0.147 20 0 BBADRP O[C@@H](Cn1cccn1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613211241 361273882 /nfs/dbraw/zinc/27/38/82/361273882.db2.gz LIHKTYKLNDVOSP-GRYCIOLGSA-N 2 0 236.319 -0.605 20 0 BBADRP O[C@@H](Cn1cccn1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613211242 361273922 /nfs/dbraw/zinc/27/39/22/361273922.db2.gz LIHKTYKLNDVOSP-IJLUTSLNSA-N 2 0 236.319 -0.605 20 0 BBADRP O[C@@H](Cn1cccn1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613211243 361273857 /nfs/dbraw/zinc/27/38/57/361273857.db2.gz LIHKTYKLNDVOSP-SDDRHHMPSA-N 2 0 236.319 -0.605 20 0 BBADRP O[C@H](Cn1cccn1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613211244 361274077 /nfs/dbraw/zinc/27/40/77/361274077.db2.gz LIHKTYKLNDVOSP-TUAOUCFPSA-N 2 0 236.319 -0.605 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C1([NH+](C)C)CC1 ZINC000613285400 363055163 /nfs/dbraw/zinc/05/51/63/363055163.db2.gz MBPZKTGHIYKGPQ-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000613522938 363473617 /nfs/dbraw/zinc/47/36/17/363473617.db2.gz OLHPCPCYYHCBAH-LLVKDONJSA-N 2 0 241.335 -0.737 20 0 BBADRP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000613522939 363472845 /nfs/dbraw/zinc/47/28/45/363472845.db2.gz OLHPCPCYYHCBAH-NSHDSACASA-N 2 0 241.335 -0.737 20 0 BBADRP CC[N@H+](CCO)CCNC(=O)C1([NH+](C)C)CC1 ZINC000613586686 363526770 /nfs/dbraw/zinc/52/67/70/363526770.db2.gz UMXAAOPQNJFEEP-UHFFFAOYSA-N 2 0 243.351 -0.489 20 0 BBADRP CC(C)[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614844954 363993242 /nfs/dbraw/zinc/99/32/42/363993242.db2.gz AYHYYKSZVUJNER-GHMZBOCLSA-N 2 0 245.367 -0.389 20 0 BBADRP CC(C)[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614844958 363993556 /nfs/dbraw/zinc/99/35/56/363993556.db2.gz AYHYYKSZVUJNER-MNOVXSKESA-N 2 0 245.367 -0.389 20 0 BBADRP CC(C)[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614844960 363992880 /nfs/dbraw/zinc/99/28/80/363992880.db2.gz AYHYYKSZVUJNER-QWRGUYRKSA-N 2 0 245.367 -0.389 20 0 BBADRP CC(C)[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614844966 363993724 /nfs/dbraw/zinc/99/37/24/363993724.db2.gz AYHYYKSZVUJNER-WDEREUQCSA-N 2 0 245.367 -0.389 20 0 BBADRP CC[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614847611 363996341 /nfs/dbraw/zinc/99/63/41/363996341.db2.gz MENUPLAXLCQWTD-NXEZZACHSA-N 2 0 231.340 -0.635 20 0 BBADRP CC[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614847612 363995633 /nfs/dbraw/zinc/99/56/33/363995633.db2.gz MENUPLAXLCQWTD-UWVGGRQHSA-N 2 0 231.340 -0.635 20 0 BBADRP CC[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614847613 363995858 /nfs/dbraw/zinc/99/58/58/363995858.db2.gz MENUPLAXLCQWTD-VHSXEESVSA-N 2 0 231.340 -0.635 20 0 BBADRP CC[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+](C)C ZINC000614847614 363995684 /nfs/dbraw/zinc/99/56/84/363995684.db2.gz MENUPLAXLCQWTD-ZJUUUORDSA-N 2 0 231.340 -0.635 20 0 BBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614848141 363998620 /nfs/dbraw/zinc/99/86/20/363998620.db2.gz QCFYRGMNJPDVFG-GHMZBOCLSA-N 2 0 243.351 -0.633 20 0 BBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614848142 363997897 /nfs/dbraw/zinc/99/78/97/363997897.db2.gz QCFYRGMNJPDVFG-MNOVXSKESA-N 2 0 243.351 -0.633 20 0 BBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614848143 363998163 /nfs/dbraw/zinc/99/81/63/363998163.db2.gz QCFYRGMNJPDVFG-QWRGUYRKSA-N 2 0 243.351 -0.633 20 0 BBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614848144 363997793 /nfs/dbraw/zinc/99/77/93/363997793.db2.gz QCFYRGMNJPDVFG-WDEREUQCSA-N 2 0 243.351 -0.633 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000614850115 364000250 /nfs/dbraw/zinc/00/02/50/364000250.db2.gz SOXIXMNPPYUVSC-LLVKDONJSA-N 2 0 243.351 -0.633 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000614850116 364000564 /nfs/dbraw/zinc/00/05/64/364000564.db2.gz SOXIXMNPPYUVSC-NSHDSACASA-N 2 0 243.351 -0.633 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000614851415 364003315 /nfs/dbraw/zinc/00/33/15/364003315.db2.gz ACMYEKUPRDRYFU-NXEZZACHSA-N 2 0 229.324 -0.881 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000614851416 364003469 /nfs/dbraw/zinc/00/34/69/364003469.db2.gz ACMYEKUPRDRYFU-UWVGGRQHSA-N 2 0 229.324 -0.881 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000614851417 364002993 /nfs/dbraw/zinc/00/29/93/364002993.db2.gz ACMYEKUPRDRYFU-VHSXEESVSA-N 2 0 229.324 -0.881 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000614851418 364002881 /nfs/dbraw/zinc/00/28/81/364002881.db2.gz ACMYEKUPRDRYFU-ZJUUUORDSA-N 2 0 229.324 -0.881 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000614852115 364005909 /nfs/dbraw/zinc/00/59/09/364005909.db2.gz NYMIWDOFEGWDSX-GHMZBOCLSA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000614852116 364005837 /nfs/dbraw/zinc/00/58/37/364005837.db2.gz NYMIWDOFEGWDSX-MNOVXSKESA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000614852117 364005576 /nfs/dbraw/zinc/00/55/76/364005576.db2.gz NYMIWDOFEGWDSX-QWRGUYRKSA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000614852118 364005786 /nfs/dbraw/zinc/00/57/86/364005786.db2.gz NYMIWDOFEGWDSX-WDEREUQCSA-N 2 0 243.351 -0.491 20 0 BBADRP CCC[N@H+](C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614854339 364010622 /nfs/dbraw/zinc/01/06/22/364010622.db2.gz NFONJDKAIHDKNL-JTQLQIEISA-N 2 0 231.340 -0.633 20 0 BBADRP CCC[N@H+](C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614854340 364010780 /nfs/dbraw/zinc/01/07/80/364010780.db2.gz NFONJDKAIHDKNL-SNVBAGLBSA-N 2 0 231.340 -0.633 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000614857049 364011839 /nfs/dbraw/zinc/01/18/39/364011839.db2.gz FKROBUMNNRLHMI-SECBINFHSA-N 2 0 229.324 -0.881 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000614857050 364011698 /nfs/dbraw/zinc/01/16/98/364011698.db2.gz FKROBUMNNRLHMI-VIFPVBQESA-N 2 0 229.324 -0.881 20 0 BBADRP C[C@@H]1[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC[N@@H+]1C ZINC000614859445 364015584 /nfs/dbraw/zinc/01/55/84/364015584.db2.gz ZKCHDFXUKLAAFR-GMTAPVOTSA-N 2 0 243.351 -0.635 20 0 BBADRP C[C@@H]1[C@H](C(=O)N[C@H](CO)C[NH+](C)C)CC[N@@H+]1C ZINC000614859446 364015143 /nfs/dbraw/zinc/01/51/43/364015143.db2.gz ZKCHDFXUKLAAFR-OUAUKWLOSA-N 2 0 243.351 -0.635 20 0 BBADRP C[C@@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+](C)C ZINC000615509479 368083834 /nfs/dbraw/zinc/08/38/34/368083834.db2.gz NGUPCRCNVLIOSY-VIFPVBQESA-N 2 0 213.325 -0.044 20 0 BBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]3CC[C@H]2C3)C1 ZINC000615564907 490238181 /nfs/dbraw/zinc/23/81/81/490238181.db2.gz NGIPYTKYJONCGC-QWRGUYRKSA-N 2 0 223.320 -0.145 20 0 BBADRP C[NH+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000616571324 397982686 /nfs/dbraw/zinc/98/26/86/397982686.db2.gz KSUBILJTZCWANW-NXEZZACHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000616571327 384787045 /nfs/dbraw/zinc/78/70/45/384787045.db2.gz KSUBILJTZCWANW-UWVGGRQHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000616571329 384785502 /nfs/dbraw/zinc/78/55/02/384785502.db2.gz KSUBILJTZCWANW-VHSXEESVSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000616571331 384786253 /nfs/dbraw/zinc/78/62/53/384786253.db2.gz KSUBILJTZCWANW-ZJUUUORDSA-N 2 0 211.309 -0.099 20 0 BBADRP CN(CCC[NH+](C)C)CCNC(=O)C[NH+](C)C ZINC000617766890 356328524 /nfs/dbraw/zinc/32/85/24/356328524.db2.gz XVVWZUWGKREGHG-UHFFFAOYSA-N 2 0 244.383 -0.452 20 0 BBADRP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000618190350 343547792 /nfs/dbraw/zinc/54/77/92/343547792.db2.gz OVPMFMSPTZKOAV-LLVKDONJSA-N 2 0 225.336 -0.042 20 0 BBADRP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000618190351 343547713 /nfs/dbraw/zinc/54/77/13/343547713.db2.gz OVPMFMSPTZKOAV-NSHDSACASA-N 2 0 225.336 -0.042 20 0 BBADRP CN(CC1C[NH+](C)C1)C(=O)Cn1ccnc1 ZINC000618190453 343550738 /nfs/dbraw/zinc/55/07/38/343550738.db2.gz SWKAEGBFRXRIAU-UHFFFAOYSA-N 2 0 222.292 -0.097 20 0 BBADRP C[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000618193034 343590745 /nfs/dbraw/zinc/59/07/45/343590745.db2.gz HDNZMQJREQSRSK-VIFPVBQESA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621678991 370429531 /nfs/dbraw/zinc/42/95/31/370429531.db2.gz BDIZEQLNHSKWKY-ATZCPNFKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621678992 370429387 /nfs/dbraw/zinc/42/93/87/370429387.db2.gz BDIZEQLNHSKWKY-IQJOONFLSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621678993 370428922 /nfs/dbraw/zinc/42/89/22/370428922.db2.gz BDIZEQLNHSKWKY-NGZCFLSTSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621678994 370429569 /nfs/dbraw/zinc/42/95/69/370429569.db2.gz BDIZEQLNHSKWKY-QXEWZRGKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682156 370431256 /nfs/dbraw/zinc/43/12/56/370431256.db2.gz ADTYLOFGLYMDNN-FXPVBKGRSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682157 370431658 /nfs/dbraw/zinc/43/16/58/370431658.db2.gz ADTYLOFGLYMDNN-KKZNHRDASA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682158 370431474 /nfs/dbraw/zinc/43/14/74/370431474.db2.gz ADTYLOFGLYMDNN-WCABBAIRSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682159 370431188 /nfs/dbraw/zinc/43/11/88/370431188.db2.gz ADTYLOFGLYMDNN-YWVKMMECSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC000621682228 370431481 /nfs/dbraw/zinc/43/14/81/370431481.db2.gz BSDOTUPTFWAGCH-FXPVBKGRSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC000621682229 370431285 /nfs/dbraw/zinc/43/12/85/370431285.db2.gz BSDOTUPTFWAGCH-IQJOONFLSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC000621682230 370431499 /nfs/dbraw/zinc/43/14/99/370431499.db2.gz BSDOTUPTFWAGCH-KKZNHRDASA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC000621682231 370431531 /nfs/dbraw/zinc/43/15/31/370431531.db2.gz BSDOTUPTFWAGCH-NGZCFLSTSA-N 2 0 209.293 -0.312 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682354 370431897 /nfs/dbraw/zinc/43/18/97/370431897.db2.gz DWYKQEFUZYNZEA-GXSJLCMTSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682355 370431490 /nfs/dbraw/zinc/43/14/90/370431490.db2.gz DWYKQEFUZYNZEA-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682356 370431133 /nfs/dbraw/zinc/43/11/33/370431133.db2.gz DWYKQEFUZYNZEA-MWLCHTKSSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682357 370431144 /nfs/dbraw/zinc/43/11/44/370431144.db2.gz DWYKQEFUZYNZEA-ONGXEEELSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000621682543 370431388 /nfs/dbraw/zinc/43/13/88/370431388.db2.gz HVLAUJJOVDFSOG-CKYFFXLPSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000621682544 370431743 /nfs/dbraw/zinc/43/17/43/370431743.db2.gz HVLAUJJOVDFSOG-FOGDFJRCSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000621682545 370432049 /nfs/dbraw/zinc/43/20/49/370432049.db2.gz HVLAUJJOVDFSOG-HOSYDEDBSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000621682546 370431828 /nfs/dbraw/zinc/43/18/28/370431828.db2.gz HVLAUJJOVDFSOG-UMNHJUIQSA-N 2 0 239.319 -0.685 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682592 370431650 /nfs/dbraw/zinc/43/16/50/370431650.db2.gz IOXQSTSOBKUXAN-JBLDHEPKSA-N 2 0 241.335 -0.310 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682593 370432107 /nfs/dbraw/zinc/43/21/07/370432107.db2.gz IOXQSTSOBKUXAN-JFGNBEQYSA-N 2 0 241.335 -0.310 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682594 370431222 /nfs/dbraw/zinc/43/12/22/370431222.db2.gz IOXQSTSOBKUXAN-NHCYSSNCSA-N 2 0 241.335 -0.310 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682595 370431150 /nfs/dbraw/zinc/43/11/50/370431150.db2.gz IOXQSTSOBKUXAN-SCVCMEIPSA-N 2 0 241.335 -0.310 20 0 BBADRP CC1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C[NH2+]C1 ZINC000621682883 370432078 /nfs/dbraw/zinc/43/20/78/370432078.db2.gz MUYBGCRPVYMHCG-BXKDBHETSA-N 2 0 223.320 -0.064 20 0 BBADRP CC1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C[NH2+]C1 ZINC000621682884 370431949 /nfs/dbraw/zinc/43/19/49/370431949.db2.gz MUYBGCRPVYMHCG-CABZTGNLSA-N 2 0 223.320 -0.064 20 0 BBADRP CC1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C[NH2+]C1 ZINC000621682885 370431602 /nfs/dbraw/zinc/43/16/02/370431602.db2.gz MUYBGCRPVYMHCG-JOYOIKCWSA-N 2 0 223.320 -0.064 20 0 BBADRP CC1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C[NH2+]C1 ZINC000621682886 370430000 /nfs/dbraw/zinc/43/00/00/370430000.db2.gz MUYBGCRPVYMHCG-SKDRFNHKSA-N 2 0 223.320 -0.064 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621683868 370433550 /nfs/dbraw/zinc/43/35/50/370433550.db2.gz DCRYYKZGFKDFCH-ATZCPNFKSA-N 2 0 227.308 -0.700 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621683869 370433631 /nfs/dbraw/zinc/43/36/31/370433631.db2.gz DCRYYKZGFKDFCH-QXEWZRGKSA-N 2 0 227.308 -0.700 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621683870 370433579 /nfs/dbraw/zinc/43/35/79/370433579.db2.gz DCRYYKZGFKDFCH-WCABBAIRSA-N 2 0 227.308 -0.700 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621683871 370433904 /nfs/dbraw/zinc/43/39/04/370433904.db2.gz DCRYYKZGFKDFCH-YWVKMMECSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000621684126 370433465 /nfs/dbraw/zinc/43/34/65/370433465.db2.gz HVLAUJJOVDFSOG-NHCYSSNCSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000621684127 370433533 /nfs/dbraw/zinc/43/35/33/370433533.db2.gz HVLAUJJOVDFSOG-SCVCMEIPSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684281 370433811 /nfs/dbraw/zinc/43/38/11/370433811.db2.gz JYSNYOXKSHDBCA-GXSJLCMTSA-N 2 0 227.308 -0.699 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684282 370433872 /nfs/dbraw/zinc/43/38/72/370433872.db2.gz JYSNYOXKSHDBCA-KOLCDFICSA-N 2 0 227.308 -0.699 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684283 370433742 /nfs/dbraw/zinc/43/37/42/370433742.db2.gz JYSNYOXKSHDBCA-MWLCHTKSSA-N 2 0 227.308 -0.699 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684284 370433855 /nfs/dbraw/zinc/43/38/55/370433855.db2.gz JYSNYOXKSHDBCA-ONGXEEELSA-N 2 0 227.308 -0.699 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684402 370434719 /nfs/dbraw/zinc/43/47/19/370434719.db2.gz LZACOJYOMJAYAN-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684403 370434809 /nfs/dbraw/zinc/43/48/09/370434809.db2.gz LZACOJYOMJAYAN-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684404 370435033 /nfs/dbraw/zinc/43/50/33/370435033.db2.gz LZACOJYOMJAYAN-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684405 370434725 /nfs/dbraw/zinc/43/47/25/370434725.db2.gz LZACOJYOMJAYAN-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]C1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621685648 370436017 /nfs/dbraw/zinc/43/60/17/370436017.db2.gz IPCXWFZZHXRCLA-GZMMTYOYSA-N 2 0 209.293 -0.183 20 0 BBADRP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621685649 370436021 /nfs/dbraw/zinc/43/60/21/370436021.db2.gz IPCXWFZZHXRCLA-KCJUWKMLSA-N 2 0 209.293 -0.183 20 0 BBADRP [NH3+]C1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621685650 370435582 /nfs/dbraw/zinc/43/55/82/370435582.db2.gz IPCXWFZZHXRCLA-KWQFWETISA-N 2 0 209.293 -0.183 20 0 BBADRP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621685651 370436014 /nfs/dbraw/zinc/43/60/14/370436014.db2.gz IPCXWFZZHXRCLA-LDYMZIIASA-N 2 0 209.293 -0.183 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621690901 370439247 /nfs/dbraw/zinc/43/92/47/370439247.db2.gz ZMHUWEVRPQJELC-GXSJLCMTSA-N 2 0 211.309 -0.112 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621690902 370438598 /nfs/dbraw/zinc/43/85/98/370438598.db2.gz ZMHUWEVRPQJELC-KOLCDFICSA-N 2 0 211.309 -0.112 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621690903 370439103 /nfs/dbraw/zinc/43/91/03/370439103.db2.gz ZMHUWEVRPQJELC-MWLCHTKSSA-N 2 0 211.309 -0.112 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621690904 370439056 /nfs/dbraw/zinc/43/90/56/370439056.db2.gz ZMHUWEVRPQJELC-ONGXEEELSA-N 2 0 211.309 -0.112 20 0 BBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC000621698910 370445211 /nfs/dbraw/zinc/44/52/11/370445211.db2.gz IPJVQOQDSGOUJX-CFDXXZMTSA-N 2 0 235.331 -0.208 20 0 BBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC000621698911 370445138 /nfs/dbraw/zinc/44/51/38/370445138.db2.gz IPJVQOQDSGOUJX-IIEKFROSSA-N 2 0 235.331 -0.208 20 0 BBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC000621698912 370445087 /nfs/dbraw/zinc/44/50/87/370445087.db2.gz IPJVQOQDSGOUJX-ONYIWYLUSA-N 2 0 235.331 -0.208 20 0 BBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC000621698913 370445146 /nfs/dbraw/zinc/44/51/46/370445146.db2.gz IPJVQOQDSGOUJX-ZTVLKNOQSA-N 2 0 235.331 -0.208 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000621702167 388677386 /nfs/dbraw/zinc/67/73/86/388677386.db2.gz JEDXBCSVJPSEJR-IUCAKERBSA-N 2 0 217.313 -0.408 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000621702692 370449615 /nfs/dbraw/zinc/44/96/15/370449615.db2.gz KALXAIVGEQKNDD-QXEWZRGKSA-N 2 0 227.308 -0.924 20 0 BBADRP CCn1cc(CC[N@H+](C)C[C@H](O)C[NH3+])cn1 ZINC000621776398 370524067 /nfs/dbraw/zinc/52/40/67/370524067.db2.gz KINPIVIDYXOVOO-LLVKDONJSA-N 2 0 226.324 -0.303 20 0 BBADRP CCn1cc(CC[N@H+](C)C[C@@H](O)C[NH3+])cn1 ZINC000621776399 370524111 /nfs/dbraw/zinc/52/41/11/370524111.db2.gz KINPIVIDYXOVOO-NSHDSACASA-N 2 0 226.324 -0.303 20 0 BBADRP C[N@@H+]1CCN(CCOCC[NH3+])C(C)(C)C1 ZINC000621776551 370524219 /nfs/dbraw/zinc/52/42/19/370524219.db2.gz OJNQHOMADPBEEX-UHFFFAOYSA-N 2 0 215.341 -0.012 20 0 BBADRP [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1C[NH2+]CCO1)C2 ZINC000621783685 370533732 /nfs/dbraw/zinc/53/37/32/370533732.db2.gz DTGICXXLMPKPGA-SRVKXCTJSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@]12CCC[C@H]1CN(C[C@H]1C[NH2+]CCO1)C2 ZINC000621783686 370533964 /nfs/dbraw/zinc/53/39/64/370533964.db2.gz DTGICXXLMPKPGA-TUAOUCFPSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1C[NH2+]CCO1)C2 ZINC000621783687 370534223 /nfs/dbraw/zinc/53/42/23/370534223.db2.gz DTGICXXLMPKPGA-UTUOFQBUSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1C[NH2+]CCO1)C2 ZINC000621783688 343907089 /nfs/dbraw/zinc/90/70/89/343907089.db2.gz DTGICXXLMPKPGA-WOPDTQHZSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@@]12CCC[C@@H]1CN(CCN1CC[NH2+]CC1)C2 ZINC000621783980 370534040 /nfs/dbraw/zinc/53/40/40/370534040.db2.gz HZXRHLZCUHSZNF-CHWSQXEVSA-N 2 0 238.379 -0.295 20 0 BBADRP [NH3+][C@]12CCC[C@@H]1CN(CCN1CC[NH2+]CC1)C2 ZINC000621783983 370533633 /nfs/dbraw/zinc/53/36/33/370533633.db2.gz HZXRHLZCUHSZNF-OLZOCXBDSA-N 2 0 238.379 -0.295 20 0 BBADRP [NH3+][C@@]12CCC[C@H]1CN(CCN1CC[NH2+]CC1)C2 ZINC000621783984 370533912 /nfs/dbraw/zinc/53/39/12/370533912.db2.gz HZXRHLZCUHSZNF-QWHCGFSZSA-N 2 0 238.379 -0.295 20 0 BBADRP [NH3+][C@]12CCC[C@H]1CN(CCN1CC[NH2+]CC1)C2 ZINC000621783985 370533320 /nfs/dbraw/zinc/53/33/20/370533320.db2.gz HZXRHLZCUHSZNF-STQMWFEESA-N 2 0 238.379 -0.295 20 0 BBADRP [NH3+]CCOCCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784118 370535965 /nfs/dbraw/zinc/53/59/65/370535965.db2.gz KHHMDQQCWFODAI-GHMZBOCLSA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]CCOCCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784119 370536431 /nfs/dbraw/zinc/53/64/31/370536431.db2.gz KHHMDQQCWFODAI-MNOVXSKESA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]CCOCCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784120 370535921 /nfs/dbraw/zinc/53/59/21/370535921.db2.gz KHHMDQQCWFODAI-QWRGUYRKSA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]CCOCCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784121 370535787 /nfs/dbraw/zinc/53/57/87/370535787.db2.gz KHHMDQQCWFODAI-WDEREUQCSA-N 2 0 213.325 -0.225 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784754 370538086 /nfs/dbraw/zinc/53/80/86/370538086.db2.gz UPTVASHMQAWCBE-GRYCIOLGSA-N 2 0 227.352 -0.230 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784755 370538429 /nfs/dbraw/zinc/53/84/29/370538429.db2.gz UPTVASHMQAWCBE-SDDRHHMPSA-N 2 0 227.352 -0.230 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784756 370537750 /nfs/dbraw/zinc/53/77/50/370537750.db2.gz UPTVASHMQAWCBE-SRVKXCTJSA-N 2 0 227.352 -0.230 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784757 370537018 /nfs/dbraw/zinc/53/70/18/370537018.db2.gz UPTVASHMQAWCBE-WOPDTQHZSA-N 2 0 227.352 -0.230 20 0 BBADRP CN(C)CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000622631105 345679162 /nfs/dbraw/zinc/67/91/62/345679162.db2.gz GGVKOZXTIHYZCS-LLVKDONJSA-N 2 0 243.351 -0.489 20 0 BBADRP CN(C)CC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000622631106 345679465 /nfs/dbraw/zinc/67/94/65/345679465.db2.gz GGVKOZXTIHYZCS-NSHDSACASA-N 2 0 243.351 -0.489 20 0 BBADRP C[NH+](C)CC(C)(C)CNc1nc(N)[nH+]c(N)n1 ZINC000623792003 363021060 /nfs/dbraw/zinc/02/10/60/363021060.db2.gz DBCZDOYBAIKSIC-UHFFFAOYSA-N 2 0 239.327 -0.882 20 0 BBADRP Nc1nc(NCCC[NH+]2CCCC2)nc(N)[nH+]1 ZINC000623812920 347068980 /nfs/dbraw/zinc/06/89/80/347068980.db2.gz UEVQVPXIIOUOKM-UHFFFAOYSA-N 2 0 237.311 -0.984 20 0 BBADRP CC[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623813594 371106246 /nfs/dbraw/zinc/10/62/46/371106246.db2.gz VGPIUTRNBPYPPK-UHFFFAOYSA-N 2 0 237.311 -0.985 20 0 BBADRP Nc1nc(NC2CC[NH+](C3CC3)CC2)nc(N)[nH+]1 ZINC000623829546 371115892 /nfs/dbraw/zinc/11/58/92/371115892.db2.gz LRKONIWHCJHXKB-UHFFFAOYSA-N 2 0 249.322 -0.843 20 0 BBADRP CN1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000623837078 342952188 /nfs/dbraw/zinc/95/21/88/342952188.db2.gz XEXOVKURDRLVDH-LBPRGKRZSA-N 2 0 227.352 -0.263 20 0 BBADRP O[C@H]1CCN(CC[NH2+]CC2=CCCOC2)C1 ZINC000623837132 371119923 /nfs/dbraw/zinc/11/99/23/371119923.db2.gz ZANYQDHSMYLTHE-LBPRGKRZSA-N 2 0 226.320 -0.011 20 0 BBADRP Nc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000623851825 344115565 /nfs/dbraw/zinc/11/55/65/344115565.db2.gz IRMSNFANQCMXGR-SSDOTTSWSA-N 2 0 249.322 -0.985 20 0 BBADRP Nc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000623851826 344115384 /nfs/dbraw/zinc/11/53/84/344115384.db2.gz IRMSNFANQCMXGR-ZETCQYMHSA-N 2 0 249.322 -0.985 20 0 BBADRP C[NH+](C)C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623852003 344149712 /nfs/dbraw/zinc/14/97/12/344149712.db2.gz NGISNGNJJHQZRR-UHFFFAOYSA-N 2 0 237.311 -0.773 20 0 BBADRP CC(C)[N@H+](C)CCCNc1nc(N)[nH+]c(N)n1 ZINC000623853148 344409285 /nfs/dbraw/zinc/40/92/85/344409285.db2.gz ODVLVOXJMNNQGR-UHFFFAOYSA-N 2 0 239.327 -0.739 20 0 BBADRP CC[NH+](CC)[C@H](C)CNc1nc(N)[nH+]c(N)n1 ZINC000623853195 490291262 /nfs/dbraw/zinc/29/12/62/490291262.db2.gz PPFHJZYWABQCHC-SSDOTTSWSA-N 2 0 239.327 -0.739 20 0 BBADRP Nc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc(N)[nH+]1 ZINC000623862453 371132699 /nfs/dbraw/zinc/13/26/99/371132699.db2.gz UMBNVIRXXSKNHY-HTQZYQBOSA-N 2 0 249.322 -0.843 20 0 BBADRP Nc1nc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc(N)[nH+]1 ZINC000623862454 371132915 /nfs/dbraw/zinc/13/29/15/371132915.db2.gz UMBNVIRXXSKNHY-JGVFFNPUSA-N 2 0 249.322 -0.843 20 0 BBADRP Nc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc(N)[nH+]1 ZINC000623862455 371132598 /nfs/dbraw/zinc/13/25/98/371132598.db2.gz UMBNVIRXXSKNHY-SFYZADRCSA-N 2 0 249.322 -0.843 20 0 BBADRP Nc1nc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc(N)[nH+]1 ZINC000623862456 371132505 /nfs/dbraw/zinc/13/25/05/371132505.db2.gz UMBNVIRXXSKNHY-YUMQZZPRSA-N 2 0 249.322 -0.843 20 0 BBADRP Nc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000623869084 371133876 /nfs/dbraw/zinc/13/38/76/371133876.db2.gz OITTULQHLLIIJB-HTQZYQBOSA-N 2 0 249.322 -0.843 20 0 BBADRP Nc1nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000623869085 371133992 /nfs/dbraw/zinc/13/39/92/371133992.db2.gz OITTULQHLLIIJB-JGVFFNPUSA-N 2 0 249.322 -0.843 20 0 BBADRP Nc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000623869086 371134331 /nfs/dbraw/zinc/13/43/31/371134331.db2.gz OITTULQHLLIIJB-SFYZADRCSA-N 2 0 249.322 -0.843 20 0 BBADRP Nc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000623869087 371134511 /nfs/dbraw/zinc/13/45/11/371134511.db2.gz OITTULQHLLIIJB-YUMQZZPRSA-N 2 0 249.322 -0.843 20 0 BBADRP CC[N@@H+]1CCC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623883682 352737069 /nfs/dbraw/zinc/73/70/69/352737069.db2.gz JUIUJZUDPQIEGW-ZETCQYMHSA-N 2 0 237.311 -0.985 20 0 BBADRP CC[NH+](CC)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623895697 371143869 /nfs/dbraw/zinc/14/38/69/371143869.db2.gz ZAMKLKIAPPEHFX-SSDOTTSWSA-N 2 0 239.327 -0.739 20 0 BBADRP CC[NH+](CC)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000623895698 371144134 /nfs/dbraw/zinc/14/41/34/371144134.db2.gz ZAMKLKIAPPEHFX-ZETCQYMHSA-N 2 0 239.327 -0.739 20 0 BBADRP CC[N@H+](CCNc1nc(N)[nH+]c(N)n1)C1CC1 ZINC000623928408 356876893 /nfs/dbraw/zinc/87/68/93/356876893.db2.gz OVYRFZUTKJFOML-UHFFFAOYSA-N 2 0 237.311 -0.985 20 0 BBADRP Nc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000623931904 371160738 /nfs/dbraw/zinc/16/07/38/371160738.db2.gz PRDTXHYDCNVDEZ-MRVPVSSYSA-N 2 0 249.322 -0.629 20 0 BBADRP Nc1nc(N2CC[C@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000623931905 371160946 /nfs/dbraw/zinc/16/09/46/371160946.db2.gz PRDTXHYDCNVDEZ-QMMMGPOBSA-N 2 0 249.322 -0.629 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623932078 371160545 /nfs/dbraw/zinc/16/05/45/371160545.db2.gz YPSKUDSZKLVHIN-SSDOTTSWSA-N 2 0 239.327 -0.739 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623932079 371160875 /nfs/dbraw/zinc/16/08/75/371160875.db2.gz YPSKUDSZKLVHIN-ZETCQYMHSA-N 2 0 239.327 -0.739 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000623932618 356915441 /nfs/dbraw/zinc/91/54/41/356915441.db2.gz WNHAPVQKSCQJTI-SSDOTTSWSA-N 2 0 237.311 -0.773 20 0 BBADRP C[NH+](C)[C@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000623932619 356914938 /nfs/dbraw/zinc/91/49/38/356914938.db2.gz WNHAPVQKSCQJTI-ZETCQYMHSA-N 2 0 237.311 -0.773 20 0 BBADRP CN(CC[NH+]1CCCC1)c1nc(N)[nH+]c(N)n1 ZINC000623937780 357406765 /nfs/dbraw/zinc/40/67/65/357406765.db2.gz SZLZEEHQUVAXCY-UHFFFAOYSA-N 2 0 237.311 -0.771 20 0 BBADRP CC[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623955585 371195791 /nfs/dbraw/zinc/19/57/91/371195791.db2.gz FWPDGYQWFFMGQF-UHFFFAOYSA-N 2 0 237.311 -0.771 20 0 BBADRP Nc1nc(N[C@@H]2CC[N@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000623955915 371196290 /nfs/dbraw/zinc/19/62/90/371196290.db2.gz OEOHVJMTTPESAZ-MRVPVSSYSA-N 2 0 249.322 -0.985 20 0 BBADRP Nc1nc(N[C@H]2CC[N@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000623955916 371196021 /nfs/dbraw/zinc/19/60/21/371196021.db2.gz OEOHVJMTTPESAZ-QMMMGPOBSA-N 2 0 249.322 -0.985 20 0 BBADRP CCCC[N@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623965788 371202445 /nfs/dbraw/zinc/20/24/45/371202445.db2.gz VECGOTZPCHWHPE-UHFFFAOYSA-N 2 0 239.327 -0.738 20 0 BBADRP C[NH+](C)C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000623970217 371206781 /nfs/dbraw/zinc/20/67/81/371206781.db2.gz ICXWWGJIEOSWEI-SSDOTTSWSA-N 2 0 237.311 -0.915 20 0 BBADRP C[NH+](C)C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000623970218 371206877 /nfs/dbraw/zinc/20/68/77/371206877.db2.gz ICXWWGJIEOSWEI-ZETCQYMHSA-N 2 0 237.311 -0.915 20 0 BBADRP C[C@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000623995278 370565340 /nfs/dbraw/zinc/56/53/40/370565340.db2.gz SPJPGGVAHIRCTC-BQBZGAKWSA-N 2 0 237.311 -0.987 20 0 BBADRP C[C@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000623995279 370565190 /nfs/dbraw/zinc/56/51/90/370565190.db2.gz SPJPGGVAHIRCTC-NKWVEPMBSA-N 2 0 237.311 -0.987 20 0 BBADRP C[C@@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000623995280 370565672 /nfs/dbraw/zinc/56/56/72/370565672.db2.gz SPJPGGVAHIRCTC-RNFRBKRXSA-N 2 0 237.311 -0.987 20 0 BBADRP C[C@@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)CC[N@@H+]1C ZINC000623995281 370565881 /nfs/dbraw/zinc/56/58/81/370565881.db2.gz SPJPGGVAHIRCTC-RQJHMYQMSA-N 2 0 237.311 -0.987 20 0 BBADRP CN(c1nc(N)[nH+]c(N)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000623996034 371229593 /nfs/dbraw/zinc/22/95/93/371229593.db2.gz QNTDAALJZAILPL-SSDOTTSWSA-N 2 0 237.311 -0.773 20 0 BBADRP CN(c1nc(N)[nH+]c(N)n1)[C@H]1CCC[N@H+](C)C1 ZINC000623996035 371229722 /nfs/dbraw/zinc/22/97/22/371229722.db2.gz QNTDAALJZAILPL-ZETCQYMHSA-N 2 0 237.311 -0.773 20 0 BBADRP Nc1nc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(N)[nH+]1 ZINC000623997784 371230408 /nfs/dbraw/zinc/23/04/08/371230408.db2.gz XWRLXDGZGWQTMR-MRVPVSSYSA-N 2 0 247.306 -0.853 20 0 BBADRP Nc1nc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(N)[nH+]1 ZINC000623997785 371230520 /nfs/dbraw/zinc/23/05/20/371230520.db2.gz XWRLXDGZGWQTMR-QMMMGPOBSA-N 2 0 247.306 -0.853 20 0 BBADRP CCC[N@H+](CC)CCNc1nc(N)[nH+]c(N)n1 ZINC000624014105 371248498 /nfs/dbraw/zinc/24/84/98/371248498.db2.gz RLKJGXNVQANMCJ-UHFFFAOYSA-N 2 0 239.327 -0.738 20 0 BBADRP C[C@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)C[N@@H+]1C1CC1 ZINC000624027273 348009901 /nfs/dbraw/zinc/00/99/01/348009901.db2.gz NPGHGDGEZQJWDC-BQBZGAKWSA-N 2 0 249.322 -0.844 20 0 BBADRP C[C@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)C[N@@H+]1C1CC1 ZINC000624027274 348009773 /nfs/dbraw/zinc/00/97/73/348009773.db2.gz NPGHGDGEZQJWDC-NKWVEPMBSA-N 2 0 249.322 -0.844 20 0 BBADRP C[C@@H]1C[C@@H](Nc2nc(N)[nH+]c(N)n2)C[N@@H+]1C1CC1 ZINC000624027275 348009988 /nfs/dbraw/zinc/00/99/88/348009988.db2.gz NPGHGDGEZQJWDC-RNFRBKRXSA-N 2 0 249.322 -0.844 20 0 BBADRP C[C@@H]1C[C@H](Nc2nc(N)[nH+]c(N)n2)C[N@@H+]1C1CC1 ZINC000624027276 348009741 /nfs/dbraw/zinc/00/97/41/348009741.db2.gz NPGHGDGEZQJWDC-RQJHMYQMSA-N 2 0 249.322 -0.844 20 0 BBADRP C[NH+](C)C[C@H]1CCCN1c1nc(N)[nH+]c(N)n1 ZINC000624031141 371260289 /nfs/dbraw/zinc/26/02/89/371260289.db2.gz WSGDHFQLLWHVLA-SSDOTTSWSA-N 2 0 237.311 -0.773 20 0 BBADRP C[NH+](C)C[C@@H]1CCCN1c1nc(N)[nH+]c(N)n1 ZINC000624031142 371259267 /nfs/dbraw/zinc/25/92/67/371259267.db2.gz WSGDHFQLLWHVLA-ZETCQYMHSA-N 2 0 237.311 -0.773 20 0 BBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624033072 385717388 /nfs/dbraw/zinc/71/73/88/385717388.db2.gz UHFKYZBPMPDWKM-XPUUQOCRSA-N 2 0 249.322 -0.987 20 0 BBADRP Nc1nc(N2CCC([NH2+]C3CC3)CC2)nc(N)[nH+]1 ZINC000624050996 371278150 /nfs/dbraw/zinc/27/81/50/371278150.db2.gz OPGVWZKVJDTLKY-UHFFFAOYSA-N 2 0 249.322 -0.582 20 0 BBADRP CN(CCC[NH+](C)C)c1nc(N)[nH+]c(N)n1 ZINC000624085416 371297766 /nfs/dbraw/zinc/29/77/66/371297766.db2.gz SOPRPXQGYRRZIZ-UHFFFAOYSA-N 2 0 225.300 -0.915 20 0 BBADRP C[C@@H](Nc1nc(N)[nH+]c(N)n1)C1=CC[N@H+](C)CC1 ZINC000624093236 371301853 /nfs/dbraw/zinc/30/18/53/371301853.db2.gz SADBBUCUKQKWHM-SSDOTTSWSA-N 2 0 249.322 -0.819 20 0 BBADRP C[C@H](Nc1nc(N)[nH+]c(N)n1)C1=CC[N@H+](C)CC1 ZINC000624093237 371301784 /nfs/dbraw/zinc/30/17/84/371301784.db2.gz SADBBUCUKQKWHM-ZETCQYMHSA-N 2 0 249.322 -0.819 20 0 BBADRP CN(CC[N@H+](C)C1CC1)c1nc(N)[nH+]c(N)n1 ZINC000624108071 371309162 /nfs/dbraw/zinc/30/91/62/371309162.db2.gz HEHRXQUQZFBZRI-UHFFFAOYSA-N 2 0 237.311 -0.773 20 0 BBADRP C[NH+](C)[C@H]1CCC[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624142435 371339021 /nfs/dbraw/zinc/33/90/21/371339021.db2.gz XPHLHKMMYMGSOI-BQBZGAKWSA-N 2 0 237.311 -0.987 20 0 BBADRP C[NH+](C)C1(CNc2nc(N)[nH+]c(N)n2)CCC1 ZINC000624144536 371339852 /nfs/dbraw/zinc/33/98/52/371339852.db2.gz UOCWVDMPEWPCKE-UHFFFAOYSA-N 2 0 237.311 -0.985 20 0 BBADRP CCN(CCC[NH+](C)C)c1nc(N)[nH+]c(N)n1 ZINC000624150492 371347505 /nfs/dbraw/zinc/34/75/05/371347505.db2.gz KPGKHKXMJNLQRP-UHFFFAOYSA-N 2 0 239.327 -0.525 20 0 BBADRP Nc1nc(NCC23CCC[NH+]2CCC3)nc(N)[nH+]1 ZINC000624170044 371361388 /nfs/dbraw/zinc/36/13/88/371361388.db2.gz HFRHYRKNQWTASZ-UHFFFAOYSA-N 2 0 249.322 -0.841 20 0 BBADRP C[NH+](C)CC1(Nc2nc(N)[nH+]c(N)n2)CCC1 ZINC000624181214 371371885 /nfs/dbraw/zinc/37/18/85/371371885.db2.gz FLTAEKDJHURBFL-UHFFFAOYSA-N 2 0 237.311 -0.407 20 0 BBADRP CN1CCN(C(=O)C[NH2+]Cc2cn[nH]c2)CC1 ZINC000624217467 371405263 /nfs/dbraw/zinc/40/52/63/371405263.db2.gz UCFLYMNQQJLYCK-UHFFFAOYSA-N 2 0 237.307 -0.727 20 0 BBADRP O[C@@H]1CCN(CC[NH2+]C2CCC(O)CC2)C1 ZINC000624230880 371418236 /nfs/dbraw/zinc/41/82/36/371418236.db2.gz JZYPXTGZPQXKSO-HTAVTVPLSA-N 2 0 228.336 -0.054 20 0 BBADRP CC(C)[N@@H+](C)C[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624231670 371419719 /nfs/dbraw/zinc/41/97/19/371419719.db2.gz GTNBPVJKNHZQFL-ZETCQYMHSA-N 2 0 239.327 -0.741 20 0 BBADRP CC(C)[N@@H+](C)C[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624232609 371420085 /nfs/dbraw/zinc/42/00/85/371420085.db2.gz GTNBPVJKNHZQFL-SSDOTTSWSA-N 2 0 239.327 -0.741 20 0 BBADRP C[N@@H+]1CC[C@@]2(CCN(c3nc(N)[nH+]c(N)n3)C2)C1 ZINC000624242517 371430362 /nfs/dbraw/zinc/43/03/62/371430362.db2.gz PXCRADSCJFPMQA-LLVKDONJSA-N 2 0 249.322 -0.771 20 0 BBADRP C[N@@H+]1CC[C@]2(CCN(c3nc(N)[nH+]c(N)n3)C2)C1 ZINC000624242518 371429756 /nfs/dbraw/zinc/42/97/56/371429756.db2.gz PXCRADSCJFPMQA-NSHDSACASA-N 2 0 249.322 -0.771 20 0 BBADRP C[C@H]1[C@@H]([NH+](C)C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624244542 371431016 /nfs/dbraw/zinc/43/10/16/371431016.db2.gz AKOBBIYLQQGCRK-BQBZGAKWSA-N 2 0 237.311 -0.774 20 0 BBADRP C[C@H]1[C@H]([NH+](C)C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624244543 371431073 /nfs/dbraw/zinc/43/10/73/371431073.db2.gz AKOBBIYLQQGCRK-NKWVEPMBSA-N 2 0 237.311 -0.774 20 0 BBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624244544 371431353 /nfs/dbraw/zinc/43/13/53/371431353.db2.gz AKOBBIYLQQGCRK-RNFRBKRXSA-N 2 0 237.311 -0.774 20 0 BBADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624244545 371431272 /nfs/dbraw/zinc/43/12/72/371431272.db2.gz AKOBBIYLQQGCRK-RQJHMYQMSA-N 2 0 237.311 -0.774 20 0 BBADRP C[NH+](C)CC(C)(C)Nc1nc(N)[nH+]c(N)n1 ZINC000624267588 371451055 /nfs/dbraw/zinc/45/10/55/371451055.db2.gz SCHLLKZCCVXKJJ-UHFFFAOYSA-N 2 0 225.300 -0.551 20 0 BBADRP CN(C[C@H]1CCC[N@@H+]1C)c1nc(N)[nH+]c(N)n1 ZINC000624288412 371458734 /nfs/dbraw/zinc/45/87/34/371458734.db2.gz KNVSJDXYQGJHIL-SSDOTTSWSA-N 2 0 237.311 -0.773 20 0 BBADRP CN(C[C@@H]1CCC[N@@H+]1C)c1nc(N)[nH+]c(N)n1 ZINC000624288413 371458489 /nfs/dbraw/zinc/45/84/89/371458489.db2.gz KNVSJDXYQGJHIL-ZETCQYMHSA-N 2 0 237.311 -0.773 20 0 BBADRP C[N@@H+]1C[C@@H]2CCCN(c3nc(N)[nH+]c(N)n3)[C@@H]2C1 ZINC000624296103 371461742 /nfs/dbraw/zinc/46/17/42/371461742.db2.gz PEOJHBAWNSTMMZ-JGVFFNPUSA-N 2 0 249.322 -0.773 20 0 BBADRP O[C@H]1CCN(CC[NH2+]C2CCC(O)CC2)C1 ZINC000624337476 371486513 /nfs/dbraw/zinc/48/65/13/371486513.db2.gz JZYPXTGZPQXKSO-MCIGGMRASA-N 2 0 228.336 -0.054 20 0 BBADRP CCC(CC)[NH2+]CCNc1nc(N)[nH+]c(N)n1 ZINC000624357160 343736354 /nfs/dbraw/zinc/73/63/54/343736354.db2.gz HROQWQIURCASMI-UHFFFAOYSA-N 2 0 239.327 -0.691 20 0 BBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)C1CC1 ZINC000624369393 371494306 /nfs/dbraw/zinc/49/43/06/371494306.db2.gz CPSDGBITWQYNMP-UHFFFAOYSA-N 2 0 235.353 -0.522 20 0 BBADRP CCC[N@@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624407804 343757411 /nfs/dbraw/zinc/75/74/11/343757411.db2.gz SMTOVOULZLKIHP-SSDOTTSWSA-N 2 0 237.311 -0.985 20 0 BBADRP CCC[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624407805 343757345 /nfs/dbraw/zinc/75/73/45/343757345.db2.gz SMTOVOULZLKIHP-ZETCQYMHSA-N 2 0 237.311 -0.985 20 0 BBADRP CC[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H](C)[NH2+]1 ZINC000624699995 342819820 /nfs/dbraw/zinc/81/98/20/342819820.db2.gz WPCSVRXJSJTHFK-NKWVEPMBSA-N 2 0 237.311 -0.727 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626955282 398221491 /nfs/dbraw/zinc/22/14/91/398221491.db2.gz ZQACUJZRRAESQX-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626955283 398222062 /nfs/dbraw/zinc/22/20/62/398222062.db2.gz ZQACUJZRRAESQX-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000626965527 363065792 /nfs/dbraw/zinc/06/57/92/363065792.db2.gz ITBVVFBPWFBNMP-UHFFFAOYSA-N 2 0 246.355 -0.445 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626965582 363066399 /nfs/dbraw/zinc/06/63/99/363066399.db2.gz JHYIETYHRXCMBQ-SNVBAGLBSA-N 2 0 244.339 -0.774 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000626979297 388457454 /nfs/dbraw/zinc/45/74/54/388457454.db2.gz WFLPRBMQFYMCLL-NXEZZACHSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000626979298 388457502 /nfs/dbraw/zinc/45/75/02/388457502.db2.gz WFLPRBMQFYMCLL-ZJUUUORDSA-N 2 0 238.335 -0.116 20 0 BBADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627019014 363115989 /nfs/dbraw/zinc/11/59/89/363115989.db2.gz NCZVFTAUBCBWSM-SNVBAGLBSA-N 2 0 244.339 -0.774 20 0 BBADRP CCN(CC[NH3+])C(=O)NCCOCC[NH+](C)C ZINC000627019375 363117478 /nfs/dbraw/zinc/11/74/78/363117478.db2.gz ZDDGHCSSJRHOHC-UHFFFAOYSA-N 2 0 246.355 -0.445 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627035182 363129734 /nfs/dbraw/zinc/12/97/34/363129734.db2.gz BQSBTCDKIYXVLJ-UWVGGRQHSA-N 2 0 244.339 -0.776 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627035184 363129440 /nfs/dbraw/zinc/12/94/40/363129440.db2.gz BQSBTCDKIYXVLJ-VHSXEESVSA-N 2 0 244.339 -0.776 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NCCOCCC[NH3+] ZINC000627035441 388593802 /nfs/dbraw/zinc/59/38/02/388593802.db2.gz FLDUPHOECQFZLL-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627035923 363140839 /nfs/dbraw/zinc/14/08/39/363140839.db2.gz MDINXLOBYJYEBR-LPEHRKFASA-N 2 0 228.340 -0.014 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627035950 363141025 /nfs/dbraw/zinc/14/10/25/363141025.db2.gz NJTLXRNCTKNUJW-DTWKUNHWSA-N 2 0 214.313 -0.402 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H](C)C[NH+](C)C ZINC000627036448 363140941 /nfs/dbraw/zinc/14/09/41/363140941.db2.gz YOLCPNBEQRISMZ-VIFPVBQESA-N 2 0 216.329 -0.073 20 0 BBADRP C[C@@H](CNC(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000627051396 388627082 /nfs/dbraw/zinc/62/70/82/388627082.db2.gz BTJYELASVDJVEH-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP C[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000627051798 388626640 /nfs/dbraw/zinc/62/66/40/388626640.db2.gz HDQWOETUBMFJSA-UWVGGRQHSA-N 2 0 244.339 -0.776 20 0 BBADRP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000627051799 388627164 /nfs/dbraw/zinc/62/71/64/388627164.db2.gz HDQWOETUBMFJSA-VHSXEESVSA-N 2 0 244.339 -0.776 20 0 BBADRP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000627051815 363171722 /nfs/dbraw/zinc/17/17/22/363171722.db2.gz HUCRMTIMAMILAM-DTWKUNHWSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000627052249 363171794 /nfs/dbraw/zinc/17/17/94/363171794.db2.gz MJGHWSDVHINEJF-JTQLQIEISA-N 2 0 246.355 -0.528 20 0 BBADRP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000627052318 363172196 /nfs/dbraw/zinc/17/21/96/363172196.db2.gz OFBSHTQJZPQVEJ-LPEHRKFASA-N 2 0 228.340 -0.014 20 0 BBADRP C[C@@H](CNC(=O)N(C)CCOCC[NH3+])[NH+](C)C ZINC000627052833 363172347 /nfs/dbraw/zinc/17/23/47/363172347.db2.gz UAIGWKYKGCTNNM-JTQLQIEISA-N 2 0 246.355 -0.447 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000627053058 363171901 /nfs/dbraw/zinc/17/19/01/363171901.db2.gz WPCDSDKXUYMLFM-VIFPVBQESA-N 2 0 216.329 -0.073 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC1CC[NH2+]CC1 ZINC000627060973 363178493 /nfs/dbraw/zinc/17/84/93/363178493.db2.gz ILAGMVYAUADLNH-UHFFFAOYSA-N 2 0 244.339 -0.726 20 0 BBADRP CCN(CC[NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000627061130 363178021 /nfs/dbraw/zinc/17/80/21/363178021.db2.gz KCCNHDPSVVBVMM-UHFFFAOYSA-N 2 0 214.313 -0.271 20 0 BBADRP [NH3+]CCCOCCNC(=O)NC1CC[NH2+]CC1 ZINC000627061363 363178045 /nfs/dbraw/zinc/17/80/45/363178045.db2.gz NSMRVEMYGOWFAI-UHFFFAOYSA-N 2 0 244.339 -0.597 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627061528 363178399 /nfs/dbraw/zinc/17/83/99/363178399.db2.gz PNOLUQPKWMEQCS-MRVPVSSYSA-N 2 0 200.286 -0.743 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627061568 363178411 /nfs/dbraw/zinc/17/84/11/363178411.db2.gz QNYGSXDQKMVMEQ-DTWKUNHWSA-N 2 0 214.313 -0.355 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000627061973 363178144 /nfs/dbraw/zinc/17/81/44/363178144.db2.gz ULHLOQYATCFXSQ-WCBMZHEXSA-N 2 0 226.324 -0.212 20 0 BBADRP CC[NH2+]CCCNC(=O)N(CC)CC[NH3+] ZINC000627062198 363179379 /nfs/dbraw/zinc/17/93/79/363179379.db2.gz AEZDVIFPJZXFFT-UHFFFAOYSA-N 2 0 216.329 -0.024 20 0 BBADRP C[NH2+]CCCNC(=O)NCCOCCC[NH3+] ZINC000627062481 363181522 /nfs/dbraw/zinc/18/15/22/363181522.db2.gz IFPJGABKJNVCLO-UHFFFAOYSA-N 2 0 232.328 -0.740 20 0 BBADRP CCN(CC[NH3+])C(=O)NCCC[NH2+]C ZINC000627062984 363180739 /nfs/dbraw/zinc/18/07/39/363180739.db2.gz NXDYMHXVOKUCAQ-UHFFFAOYSA-N 2 0 202.302 -0.414 20 0 BBADRP C[NH2+]CCCNC(=O)N(C)CCOCC[NH3+] ZINC000627063190 363180866 /nfs/dbraw/zinc/18/08/66/363180866.db2.gz OOZQNKAWKWBMQL-UHFFFAOYSA-N 2 0 232.328 -0.787 20 0 BBADRP CC[NH2+]CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627063684 363179797 /nfs/dbraw/zinc/17/97/97/363179797.db2.gz KGPNHVHXKJXWRG-JTQLQIEISA-N 2 0 244.339 -0.726 20 0 BBADRP CC[NH2+]CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627063685 363180011 /nfs/dbraw/zinc/18/00/11/363180011.db2.gz KGPNHVHXKJXWRG-SNVBAGLBSA-N 2 0 244.339 -0.726 20 0 BBADRP O=C(NCCC[NH2+]C1CC1)N[C@@H]1CC[NH2+]C1 ZINC000627063760 363179486 /nfs/dbraw/zinc/17/94/86/363179486.db2.gz LFLWBXOBJNITJC-SNVBAGLBSA-N 2 0 226.324 -0.210 20 0 BBADRP CC[NH2+]CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627063902 363179960 /nfs/dbraw/zinc/17/99/60/363179960.db2.gz MVVPOUZPFNZCCG-SECBINFHSA-N 2 0 214.313 -0.353 20 0 BBADRP C[NH2+]CCCNC(=O)N(C)CCOCC[NH2+]C ZINC000627064181 363179432 /nfs/dbraw/zinc/17/94/32/363179432.db2.gz WERMZIHERHSKCY-UHFFFAOYSA-N 2 0 246.355 -0.527 20 0 BBADRP C[NH2+]CCCNC(=O)NCCOCC[NH2+]C ZINC000627064434 363181492 /nfs/dbraw/zinc/18/14/92/363181492.db2.gz XXXHBDVMWGVTBI-UHFFFAOYSA-N 2 0 232.328 -0.869 20 0 BBADRP CC[NH2+]CCCNC(=O)N(C)CCOCC[NH3+] ZINC000627064740 363180801 /nfs/dbraw/zinc/18/08/01/363180801.db2.gz UWLSWGHLTGIYSY-UHFFFAOYSA-N 2 0 246.355 -0.397 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)NCC[NH3+])C[NH2+]1 ZINC000627065548 363192705 /nfs/dbraw/zinc/19/27/05/363192705.db2.gz CISJKRZUISDTGC-HTQZYQBOSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)NCC[NH3+])C[NH2+]1 ZINC000627065549 363193133 /nfs/dbraw/zinc/19/31/33/363193133.db2.gz CISJKRZUISDTGC-JGVFFNPUSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)NCC[NH3+])C[NH2+]1 ZINC000627065550 363193117 /nfs/dbraw/zinc/19/31/17/363193117.db2.gz CISJKRZUISDTGC-SFYZADRCSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)NCC[NH3+])C[NH2+]1 ZINC000627065551 363192972 /nfs/dbraw/zinc/19/29/72/363192972.db2.gz CISJKRZUISDTGC-YUMQZZPRSA-N 2 0 200.286 -0.615 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH3+] ZINC000627065686 363192552 /nfs/dbraw/zinc/19/25/52/363192552.db2.gz DETXUKONFSPQAJ-JGVFFNPUSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC[NH3+])C2 ZINC000627066998 363199591 /nfs/dbraw/zinc/19/95/91/363199591.db2.gz UYKJUIKNENPDEO-PHIMTYICSA-N 2 0 226.324 -0.414 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000627067776 363198879 /nfs/dbraw/zinc/19/88/79/363198879.db2.gz GCYGXQUKKSRFQF-UHFFFAOYSA-N 2 0 228.340 -0.024 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000627067845 363199339 /nfs/dbraw/zinc/19/93/39/363199339.db2.gz DRPFDRSJDSOUTI-WCBMZHEXSA-N 2 0 226.324 -0.212 20 0 BBADRP O=C(NCC[NH2+]C1CC1)NC[C@H]1COCC[NH2+]1 ZINC000627067847 363199164 /nfs/dbraw/zinc/19/91/64/363199164.db2.gz DSBHGBANBVPVAE-JTQLQIEISA-N 2 0 242.323 -0.974 20 0 BBADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1COCC[NH2+]1 ZINC000627067853 363199076 /nfs/dbraw/zinc/19/90/76/363199076.db2.gz DSBHGBANBVPVAE-SNVBAGLBSA-N 2 0 242.323 -0.974 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000627068883 363200243 /nfs/dbraw/zinc/20/02/43/363200243.db2.gz NCUAFFRHGHPOIL-UHFFFAOYSA-N 2 0 214.313 -0.271 20 0 BBADRP CN(CCOCC[NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000627068889 363199977 /nfs/dbraw/zinc/19/99/77/363199977.db2.gz NFBNZGMTIGIFEP-UHFFFAOYSA-N 2 0 244.339 -0.645 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH3+] ZINC000627068969 363200258 /nfs/dbraw/zinc/20/02/58/363200258.db2.gz OEMQMMARQQWXPH-DTWKUNHWSA-N 2 0 214.313 -0.225 20 0 BBADRP [NH3+]CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627069164 363201350 /nfs/dbraw/zinc/20/13/50/363201350.db2.gz PIUDEAYEVSJDRF-SECBINFHSA-N 2 0 226.324 -0.081 20 0 BBADRP [NH3+]CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627069165 363201317 /nfs/dbraw/zinc/20/13/17/363201317.db2.gz PIUDEAYEVSJDRF-VIFPVBQESA-N 2 0 226.324 -0.081 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627069391 363200757 /nfs/dbraw/zinc/20/07/57/363200757.db2.gz NWZOKOOGDPQHIP-JTQLQIEISA-N 2 0 228.340 -0.024 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627069394 363201181 /nfs/dbraw/zinc/20/11/81/363201181.db2.gz NWZOKOOGDPQHIP-SNVBAGLBSA-N 2 0 228.340 -0.024 20 0 BBADRP C[NH2+]CCOCCNC(=O)NCC[NH2+]C1CC1 ZINC000627069894 363201055 /nfs/dbraw/zinc/20/10/55/363201055.db2.gz RJRSUYSGMUYADA-UHFFFAOYSA-N 2 0 244.339 -0.726 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)NCCC[NH3+] ZINC000627069900 363201131 /nfs/dbraw/zinc/20/11/31/363201131.db2.gz RVBUAADCFQKJMV-UHFFFAOYSA-N 2 0 232.328 -0.787 20 0 BBADRP [NH3+]CCCOCCNC(=O)NCC[NH2+]C1CC1 ZINC000627070180 363200678 /nfs/dbraw/zinc/20/06/78/363200678.db2.gz XHDFKVIUYHMSMY-UHFFFAOYSA-N 2 0 244.339 -0.597 20 0 BBADRP O=C(NCC[NH2+]C1CC1)N[C@@H]1CC[NH2+]C1 ZINC000627070284 363201221 /nfs/dbraw/zinc/20/12/21/363201221.db2.gz ZREXSTCJJURLEM-SECBINFHSA-N 2 0 212.297 -0.601 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627070416 363202051 /nfs/dbraw/zinc/20/20/51/363202051.db2.gz BEQJUCHKRMHNCB-SECBINFHSA-N 2 0 226.324 -0.210 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627070417 363202157 /nfs/dbraw/zinc/20/21/57/363202157.db2.gz BEQJUCHKRMHNCB-VIFPVBQESA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCC[NH3+])C2 ZINC000627070995 363200598 /nfs/dbraw/zinc/20/05/98/363200598.db2.gz IVFDUDDYYYIFIH-TXEJJXNPSA-N 2 0 240.351 -0.024 20 0 BBADRP CC[NH2+]CCNC(=O)NCCOCCC[NH3+] ZINC000627071046 363200028 /nfs/dbraw/zinc/20/00/28/363200028.db2.gz AHCKJHDXUBDHSA-UHFFFAOYSA-N 2 0 232.328 -0.740 20 0 BBADRP CC[NH2+]CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627071050 363200174 /nfs/dbraw/zinc/20/01/74/363200174.db2.gz AMZAABZINPQNSM-UHFFFAOYSA-N 2 0 244.339 -0.597 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH3+] ZINC000627071192 363200507 /nfs/dbraw/zinc/20/05/07/363200507.db2.gz LWAKSSWZKSJBKM-JGVFFNPUSA-N 2 0 200.286 -0.615 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627071262 363200334 /nfs/dbraw/zinc/20/03/34/363200334.db2.gz DMQTWQVVHSHTQW-DTWKUNHWSA-N 2 0 214.313 -0.355 20 0 BBADRP CC[NH2+]CCNC(=O)N(C)CCOCC[NH3+] ZINC000627071297 363201138 /nfs/dbraw/zinc/20/11/38/363201138.db2.gz FPHKSNNAHARUOD-UHFFFAOYSA-N 2 0 232.328 -0.787 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627071466 363203605 /nfs/dbraw/zinc/20/36/05/363203605.db2.gz PUHDTXOHRHKEQC-SNVBAGLBSA-N 2 0 228.340 -0.155 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)NCCC[NH3+])C[NH2+]1 ZINC000627071527 363203680 /nfs/dbraw/zinc/20/36/80/363203680.db2.gz RDXSTSFLGVBAQQ-BDAKNGLRSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)NCCC[NH3+])C[NH2+]1 ZINC000627071528 363203630 /nfs/dbraw/zinc/20/36/30/363203630.db2.gz RDXSTSFLGVBAQQ-DTWKUNHWSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)NCCC[NH3+])C[NH2+]1 ZINC000627071530 363203619 /nfs/dbraw/zinc/20/36/19/363203619.db2.gz RDXSTSFLGVBAQQ-IUCAKERBSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)NCCC[NH3+])C[NH2+]1 ZINC000627071531 363203766 /nfs/dbraw/zinc/20/37/66/363203766.db2.gz RDXSTSFLGVBAQQ-RKDXNWHRSA-N 2 0 214.313 -0.225 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@H]1COCCN1C ZINC000627071752 363201881 /nfs/dbraw/zinc/20/18/81/363201881.db2.gz JHLHZRMUOAPZFQ-JTQLQIEISA-N 2 0 244.339 -0.774 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@@H]1COCCN1C ZINC000627071753 363202082 /nfs/dbraw/zinc/20/20/82/363202082.db2.gz JHLHZRMUOAPZFQ-SNVBAGLBSA-N 2 0 244.339 -0.774 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627071785 363201834 /nfs/dbraw/zinc/20/18/34/363201834.db2.gz KHFBCLYNOKMSJE-MRVPVSSYSA-N 2 0 200.286 -0.743 20 0 BBADRP CC[NH2+]CCNC(=O)NCCOCC[NH2+]C ZINC000627071796 363202291 /nfs/dbraw/zinc/20/22/91/363202291.db2.gz KMEZSRSWEUPPEE-UHFFFAOYSA-N 2 0 232.328 -0.869 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627071947 363202163 /nfs/dbraw/zinc/20/21/63/363202163.db2.gz LRDBAHSXDIMBLC-JGVFFNPUSA-N 2 0 200.286 -0.745 20 0 BBADRP C[NH2+]CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627072030 363201989 /nfs/dbraw/zinc/20/19/89/363201989.db2.gz OBSIVEJFPJOIFD-SECBINFHSA-N 2 0 214.313 -0.401 20 0 BBADRP C[NH2+]CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627072032 363202139 /nfs/dbraw/zinc/20/21/39/363202139.db2.gz OBSIVEJFPJOIFD-VIFPVBQESA-N 2 0 214.313 -0.401 20 0 BBADRP CC[NH2+]CCNC(=O)N(C)CCOCC[NH2+]C ZINC000627072125 363202788 /nfs/dbraw/zinc/20/27/88/363202788.db2.gz OUNJNTOYSXFCCB-UHFFFAOYSA-N 2 0 246.355 -0.527 20 0 BBADRP CC[NH2+]CCNC(=O)N(CC)CC[NH3+] ZINC000627072168 363203026 /nfs/dbraw/zinc/20/30/26/363203026.db2.gz PVAMPZWJQCJQME-UHFFFAOYSA-N 2 0 202.302 -0.414 20 0 BBADRP CC[NH2+]CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627072173 363202992 /nfs/dbraw/zinc/20/29/92/363202992.db2.gz PWOKZWQQNIMJRO-UHFFFAOYSA-N 2 0 244.339 -0.597 20 0 BBADRP C[NH2+]CCNC(=O)N(C)CCOCC[NH2+]C ZINC000627072245 487607209 /nfs/dbraw/zinc/60/72/09/487607209.db2.gz SBSGUYWCQOEUOW-UHFFFAOYSA-N 2 0 232.328 -0.917 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627072388 398106051 /nfs/dbraw/zinc/10/60/51/398106051.db2.gz WTRGQEMRBGZOBM-TXEJJXNPSA-N 2 0 240.351 -0.153 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH2+]C ZINC000627072472 388676138 /nfs/dbraw/zinc/67/61/38/388676138.db2.gz ZPRIEPODCVUEIY-DTWKUNHWSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627072482 388676976 /nfs/dbraw/zinc/67/69/76/388676976.db2.gz ZXFVLPKSKLUBBX-BDAKNGLRSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627072483 388676965 /nfs/dbraw/zinc/67/69/65/388676965.db2.gz ZXFVLPKSKLUBBX-DTWKUNHWSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627072484 388676894 /nfs/dbraw/zinc/67/68/94/388676894.db2.gz ZXFVLPKSKLUBBX-IUCAKERBSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627072485 388676859 /nfs/dbraw/zinc/67/68/59/388676859.db2.gz ZXFVLPKSKLUBBX-RKDXNWHRSA-N 2 0 214.313 -0.355 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627072554 363207559 /nfs/dbraw/zinc/20/75/59/363207559.db2.gz BSEXOKHHOGJUPC-JTQLQIEISA-N 2 0 228.340 -0.024 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627072555 363207345 /nfs/dbraw/zinc/20/73/45/363207345.db2.gz BSEXOKHHOGJUPC-SNVBAGLBSA-N 2 0 228.340 -0.024 20 0 BBADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627073008 388690717 /nfs/dbraw/zinc/69/07/17/388690717.db2.gz CSSWZEJBXGREMS-JTQLQIEISA-N 2 0 244.339 -0.645 20 0 BBADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000627073009 388690806 /nfs/dbraw/zinc/69/08/06/388690806.db2.gz CSSWZEJBXGREMS-SNVBAGLBSA-N 2 0 244.339 -0.645 20 0 BBADRP [NH3+]CCCOCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627073028 388690874 /nfs/dbraw/zinc/69/08/74/388690874.db2.gz DYRJKIJGIZLZGJ-JTQLQIEISA-N 2 0 244.339 -0.597 20 0 BBADRP [NH3+]CCCOCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000627073029 388690385 /nfs/dbraw/zinc/69/03/85/388690385.db2.gz DYRJKIJGIZLZGJ-SNVBAGLBSA-N 2 0 244.339 -0.597 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000627073169 363210077 /nfs/dbraw/zinc/21/00/77/363210077.db2.gz LQYMONQXQWGNSO-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627073170 363210148 /nfs/dbraw/zinc/21/01/48/363210148.db2.gz LQYMONQXQWGNSO-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627073413 363210289 /nfs/dbraw/zinc/21/02/89/363210289.db2.gz ANYWGVWKOQWEDN-KXUCPTDWSA-N 2 0 226.324 -0.212 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000627073414 363210310 /nfs/dbraw/zinc/21/03/10/363210310.db2.gz ANYWGVWKOQWEDN-LPEHRKFASA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000627073470 363210240 /nfs/dbraw/zinc/21/02/40/363210240.db2.gz BDGDJFFCHDUZHY-BBBLOLIVSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000627073472 363209906 /nfs/dbraw/zinc/20/99/06/363209906.db2.gz BDGDJFFCHDUZHY-KXUCPTDWSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000627073474 363210024 /nfs/dbraw/zinc/21/00/24/363210024.db2.gz BDGDJFFCHDUZHY-OPRDCNLKSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000627073475 363210054 /nfs/dbraw/zinc/21/00/54/363210054.db2.gz BDGDJFFCHDUZHY-UTLUCORTSA-N 2 0 226.324 -0.212 20 0 BBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627074041 363210153 /nfs/dbraw/zinc/21/01/53/363210153.db2.gz FTDPMHJUHDCLIG-SECBINFHSA-N 2 0 230.312 -0.987 20 0 BBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000627074049 363209927 /nfs/dbraw/zinc/20/99/27/363209927.db2.gz FTDPMHJUHDCLIG-VIFPVBQESA-N 2 0 230.312 -0.987 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627074408 363211570 /nfs/dbraw/zinc/21/15/70/363211570.db2.gz IPSRESLSLFZJFF-MRVPVSSYSA-N 2 0 200.286 -0.662 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000627074409 363211281 /nfs/dbraw/zinc/21/12/81/363211281.db2.gz IPSRESLSLFZJFF-QMMMGPOBSA-N 2 0 200.286 -0.662 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627074494 363211505 /nfs/dbraw/zinc/21/15/05/363211505.db2.gz AMIQSSDKPKHICQ-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000627074495 363211285 /nfs/dbraw/zinc/21/12/85/363211285.db2.gz AMIQSSDKPKHICQ-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000627074500 363211243 /nfs/dbraw/zinc/21/12/43/363211243.db2.gz APXSMOCIEQKAAO-JTQLQIEISA-N 2 0 244.339 -0.726 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627074501 363211178 /nfs/dbraw/zinc/21/11/78/363211178.db2.gz APXSMOCIEQKAAO-SNVBAGLBSA-N 2 0 244.339 -0.726 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000627074674 363211676 /nfs/dbraw/zinc/21/16/76/363211676.db2.gz XFWLIGHLNVGDDV-NXEZZACHSA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000627074675 363211150 /nfs/dbraw/zinc/21/11/50/363211150.db2.gz XFWLIGHLNVGDDV-VHSXEESVSA-N 2 0 226.324 -0.353 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000627074799 363212572 /nfs/dbraw/zinc/21/25/72/363212572.db2.gz SBRBOLQNUGOUAK-JTQLQIEISA-N 2 0 244.339 -0.774 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627074801 363212396 /nfs/dbraw/zinc/21/23/96/363212396.db2.gz SBRBOLQNUGOUAK-SNVBAGLBSA-N 2 0 244.339 -0.774 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627075448 363214266 /nfs/dbraw/zinc/21/42/66/363214266.db2.gz WNXQVEBIUOFSHE-JTQLQIEISA-N 2 0 244.339 -0.726 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000627075449 363214128 /nfs/dbraw/zinc/21/41/28/363214128.db2.gz WNXQVEBIUOFSHE-SNVBAGLBSA-N 2 0 244.339 -0.726 20 0 BBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000627075537 363214721 /nfs/dbraw/zinc/21/47/21/363214721.db2.gz LSPHQQGBMMMKFH-JTQLQIEISA-N 2 0 244.339 -0.645 20 0 BBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627075538 363214107 /nfs/dbraw/zinc/21/41/07/363214107.db2.gz LSPHQQGBMMMKFH-SNVBAGLBSA-N 2 0 244.339 -0.645 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000627075709 363214787 /nfs/dbraw/zinc/21/47/87/363214787.db2.gz YGKHIEULQMKNOZ-IVZWLZJFSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627075710 363214244 /nfs/dbraw/zinc/21/42/44/363214244.db2.gz YGKHIEULQMKNOZ-LPEHRKFASA-N 2 0 226.324 -0.212 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCOCCC[NH3+] ZINC000627076136 363215758 /nfs/dbraw/zinc/21/57/58/363215758.db2.gz AIWPYODAZHFKLH-JTQLQIEISA-N 2 0 246.355 -0.366 20 0 BBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000627076138 363215629 /nfs/dbraw/zinc/21/56/29/363215629.db2.gz UMQDIEMOCWIPFJ-JTQLQIEISA-N 2 0 244.339 -0.597 20 0 BBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627076139 363215768 /nfs/dbraw/zinc/21/57/68/363215768.db2.gz UMQDIEMOCWIPFJ-SNVBAGLBSA-N 2 0 244.339 -0.597 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)NCCOCCC[NH3+] ZINC000627076140 363215735 /nfs/dbraw/zinc/21/57/35/363215735.db2.gz AIWPYODAZHFKLH-SNVBAGLBSA-N 2 0 246.355 -0.366 20 0 BBADRP CN(CCOCC[NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627076295 363216211 /nfs/dbraw/zinc/21/62/11/363216211.db2.gz BHXFAEKWANLMSV-JTQLQIEISA-N 2 0 244.339 -0.660 20 0 BBADRP CN(CCOCC[NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000627076297 363216881 /nfs/dbraw/zinc/21/68/81/363216881.db2.gz BHXFAEKWANLMSV-SNVBAGLBSA-N 2 0 244.339 -0.660 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627076420 363215416 /nfs/dbraw/zinc/21/54/16/363215416.db2.gz XSFBTHBUTSZJQB-IVZWLZJFSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000627076421 363215624 /nfs/dbraw/zinc/21/56/24/363215624.db2.gz XSFBTHBUTSZJQB-LPEHRKFASA-N 2 0 226.324 -0.212 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627076493 363218111 /nfs/dbraw/zinc/21/81/11/363218111.db2.gz CYDPZBXIHRQMHZ-BDAKNGLRSA-N 2 0 214.313 -0.369 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627076494 363218312 /nfs/dbraw/zinc/21/83/12/363218312.db2.gz CYDPZBXIHRQMHZ-RKDXNWHRSA-N 2 0 214.313 -0.369 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000627076506 363217983 /nfs/dbraw/zinc/21/79/83/363217983.db2.gz DFTRXPYDWLCFAZ-SECBINFHSA-N 2 0 216.329 -0.040 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000627076508 363218082 /nfs/dbraw/zinc/21/80/82/363218082.db2.gz DFTRXPYDWLCFAZ-VIFPVBQESA-N 2 0 216.329 -0.040 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627076670 363216992 /nfs/dbraw/zinc/21/69/92/363216992.db2.gz YBNYGHFLJNBCFW-DJLDLDEBSA-N 2 0 212.297 -0.602 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000627076672 363216476 /nfs/dbraw/zinc/21/64/76/363216476.db2.gz YBNYGHFLJNBCFW-XHNCKOQMSA-N 2 0 212.297 -0.602 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627076845 363218296 /nfs/dbraw/zinc/21/82/96/363218296.db2.gz KPFYYDZRJNQLOS-JTQLQIEISA-N 2 0 244.339 -0.741 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000627076846 363217480 /nfs/dbraw/zinc/21/74/80/363217480.db2.gz KPFYYDZRJNQLOS-SNVBAGLBSA-N 2 0 244.339 -0.741 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)CCOCC[NH3+] ZINC000627077032 363218059 /nfs/dbraw/zinc/21/80/59/363218059.db2.gz PSEFEAXBWZSKGU-JTQLQIEISA-N 2 0 246.355 -0.414 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)CCOCC[NH3+] ZINC000627077033 363218188 /nfs/dbraw/zinc/21/81/88/363218188.db2.gz PSEFEAXBWZSKGU-SNVBAGLBSA-N 2 0 246.355 -0.414 20 0 BBADRP [NH3+]CCCOCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627077151 363219222 /nfs/dbraw/zinc/21/92/22/363219222.db2.gz UQEBLYATDNHLHU-JTQLQIEISA-N 2 0 244.339 -0.612 20 0 BBADRP [NH3+]CCCOCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000627077152 363218738 /nfs/dbraw/zinc/21/87/38/363218738.db2.gz UQEBLYATDNHLHU-SNVBAGLBSA-N 2 0 244.339 -0.612 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000627077178 363219194 /nfs/dbraw/zinc/21/91/94/363219194.db2.gz VRFZFNDLLZXITH-JTQLQIEISA-N 2 0 246.355 -0.495 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000627077179 363218922 /nfs/dbraw/zinc/21/89/22/363218922.db2.gz VRFZFNDLLZXITH-SNVBAGLBSA-N 2 0 246.355 -0.495 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000627077268 363218461 /nfs/dbraw/zinc/21/84/61/363218461.db2.gz YUUZNBBJVCTKAG-SECBINFHSA-N 2 0 214.313 -0.286 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627077269 363219269 /nfs/dbraw/zinc/21/92/69/363219269.db2.gz YUUZNBBJVCTKAG-VIFPVBQESA-N 2 0 214.313 -0.286 20 0 BBADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627077365 363218375 /nfs/dbraw/zinc/21/83/75/363218375.db2.gz BANQUYYQNYOZRD-BDAKNGLRSA-N 2 0 212.297 -0.615 20 0 BBADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627077366 363218480 /nfs/dbraw/zinc/21/84/80/363218480.db2.gz BANQUYYQNYOZRD-RKDXNWHRSA-N 2 0 212.297 -0.615 20 0 BBADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627077573 363219003 /nfs/dbraw/zinc/21/90/03/363219003.db2.gz DZKICDMVIUONFS-NXEZZACHSA-N 2 0 242.323 -0.989 20 0 BBADRP [NH3+]C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627077574 363219262 /nfs/dbraw/zinc/21/92/62/363219262.db2.gz DZKICDMVIUONFS-UWVGGRQHSA-N 2 0 242.323 -0.989 20 0 BBADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627077575 363218536 /nfs/dbraw/zinc/21/85/36/363218536.db2.gz DZKICDMVIUONFS-VHSXEESVSA-N 2 0 242.323 -0.989 20 0 BBADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627077576 363219242 /nfs/dbraw/zinc/21/92/42/363219242.db2.gz DZKICDMVIUONFS-ZJUUUORDSA-N 2 0 242.323 -0.989 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH3+] ZINC000627078139 363221457 /nfs/dbraw/zinc/22/14/57/363221457.db2.gz JJNWCBHYFNRHAO-JGVFFNPUSA-N 2 0 214.313 -0.227 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)[NH3+] ZINC000627078238 363221037 /nfs/dbraw/zinc/22/10/37/363221037.db2.gz LJUXTRUJTHIGCG-UHFFFAOYSA-N 2 0 246.355 -0.399 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000627078303 363221083 /nfs/dbraw/zinc/22/10/83/363221083.db2.gz NBZHIFHULHOSHF-UHFFFAOYSA-N 2 0 202.302 -0.286 20 0 BBADRP CC(C)([NH3+])CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627078362 363221352 /nfs/dbraw/zinc/22/13/52/363221352.db2.gz NSLBFJKOSUZPIZ-UHFFFAOYSA-N 2 0 244.339 -0.469 20 0 BBADRP C[NH2+]CCOCCNC(=O)NCC(C)(C)[NH3+] ZINC000627078461 363222473 /nfs/dbraw/zinc/22/24/73/363222473.db2.gz PDXYSSJCHDSHEJ-UHFFFAOYSA-N 2 0 232.328 -0.741 20 0 BBADRP CN1CCOC[C@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000627078909 363223135 /nfs/dbraw/zinc/22/31/35/363223135.db2.gz VJCVAQBNUTUKCM-SECBINFHSA-N 2 0 244.339 -0.647 20 0 BBADRP CN1CCOC[C@@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000627078911 363223708 /nfs/dbraw/zinc/22/37/08/363223708.db2.gz VJCVAQBNUTUKCM-VIFPVBQESA-N 2 0 244.339 -0.647 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000627078944 363223769 /nfs/dbraw/zinc/22/37/69/363223769.db2.gz SVIQNOBITOCAQQ-FXBDTBDDSA-N 2 0 226.324 -0.227 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627078945 363223716 /nfs/dbraw/zinc/22/37/16/363223716.db2.gz SVIQNOBITOCAQQ-SFGNSQDASA-N 2 0 226.324 -0.227 20 0 BBADRP CC(C)([NH3+])CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627079034 363223804 /nfs/dbraw/zinc/22/38/04/363223804.db2.gz WHMUANBZISZWJP-UHFFFAOYSA-N 2 0 244.339 -0.469 20 0 BBADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627079057 363223257 /nfs/dbraw/zinc/22/32/57/363223257.db2.gz WMRMTTDGHUWOKN-SSDOTTSWSA-N 2 0 200.286 -0.615 20 0 BBADRP CN(CCOCC[NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000627079351 363222409 /nfs/dbraw/zinc/22/24/09/363222409.db2.gz YYLBMTAMTLZXAU-UHFFFAOYSA-N 2 0 232.328 -0.660 20 0 BBADRP CC(C)([NH3+])CNC(=O)NCCOCCC[NH3+] ZINC000627079354 363222487 /nfs/dbraw/zinc/22/24/87/363222487.db2.gz ZFJWUTLYJOTXSH-UHFFFAOYSA-N 2 0 232.328 -0.612 20 0 BBADRP CC(C)([NH3+])CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627079377 363223087 /nfs/dbraw/zinc/22/30/87/363223087.db2.gz ZVERKFMXVNPHQQ-MRVPVSSYSA-N 2 0 230.312 -0.989 20 0 BBADRP CC(C)([NH3+])CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627079378 363223776 /nfs/dbraw/zinc/22/37/76/363223776.db2.gz ZVERKFMXVNPHQQ-QMMMGPOBSA-N 2 0 230.312 -0.989 20 0 BBADRP CCC[NH2+]CCNC(=O)N(CC)CC[NH3+] ZINC000627080502 363225533 /nfs/dbraw/zinc/22/55/33/363225533.db2.gz BVMMVBJHPPQDNF-UHFFFAOYSA-N 2 0 216.329 -0.024 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)NCCOCCC[NH3+] ZINC000627080699 363224614 /nfs/dbraw/zinc/22/46/14/363224614.db2.gz FOOZRLPFNUHNDZ-SECBINFHSA-N 2 0 232.328 -0.754 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)NCCOCCC[NH3+] ZINC000627080700 363224866 /nfs/dbraw/zinc/22/48/66/363224866.db2.gz FOOZRLPFNUHNDZ-VIFPVBQESA-N 2 0 232.328 -0.754 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC[C@H](C)C[NH3+] ZINC000627080792 363225783 /nfs/dbraw/zinc/22/57/83/363225783.db2.gz HFGAABBEPJUQCL-SECBINFHSA-N 2 0 232.328 -0.884 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000627080794 363226022 /nfs/dbraw/zinc/22/60/22/363226022.db2.gz HFGAABBEPJUQCL-VIFPVBQESA-N 2 0 232.328 -0.884 20 0 BBADRP CCC[NH2+]CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627080814 363226170 /nfs/dbraw/zinc/22/61/70/363226170.db2.gz HJNICARKRFJMQV-JTQLQIEISA-N 2 0 244.339 -0.726 20 0 BBADRP CCC[NH2+]CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627080816 363225585 /nfs/dbraw/zinc/22/55/85/363225585.db2.gz HJNICARKRFJMQV-SNVBAGLBSA-N 2 0 244.339 -0.726 20 0 BBADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627081127 363226208 /nfs/dbraw/zinc/22/62/08/363226208.db2.gz LCMNXDREQJDOJN-SECBINFHSA-N 2 0 214.313 -0.353 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](C)C[NH3+] ZINC000627081275 363228191 /nfs/dbraw/zinc/22/81/91/363228191.db2.gz MCSNDGFQKXFIGE-JTQLQIEISA-N 2 0 246.355 -0.541 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)C[NH3+] ZINC000627081280 363227899 /nfs/dbraw/zinc/22/78/99/363227899.db2.gz MCSNDGFQKXFIGE-SNVBAGLBSA-N 2 0 246.355 -0.541 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000627081326 363226728 /nfs/dbraw/zinc/22/67/28/363226728.db2.gz NGCNXMSNNHPCJX-MRVPVSSYSA-N 2 0 202.302 -0.429 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000627081327 363226895 /nfs/dbraw/zinc/22/68/95/363226895.db2.gz NGCNXMSNNHPCJX-QMMMGPOBSA-N 2 0 202.302 -0.429 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N(C)CCOCC[NH3+] ZINC000627081699 363228333 /nfs/dbraw/zinc/22/83/33/363228333.db2.gz RYSJBGBTSYAVFB-SECBINFHSA-N 2 0 232.328 -0.802 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N(C)CCOCC[NH3+] ZINC000627081700 363228138 /nfs/dbraw/zinc/22/81/38/363228138.db2.gz RYSJBGBTSYAVFB-VIFPVBQESA-N 2 0 232.328 -0.802 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627081910 363228936 /nfs/dbraw/zinc/22/89/36/363228936.db2.gz VWBASFRJQOXPDN-HTQZYQBOSA-N 2 0 200.286 -0.758 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627081911 363228975 /nfs/dbraw/zinc/22/89/75/363228975.db2.gz VWBASFRJQOXPDN-JGVFFNPUSA-N 2 0 200.286 -0.758 20 0 BBADRP CCC[NH2+]CCNC(=O)N(C)CCOCC[NH3+] ZINC000627081972 363230297 /nfs/dbraw/zinc/23/02/97/363230297.db2.gz YHBFVIYLFFCRBM-UHFFFAOYSA-N 2 0 246.355 -0.397 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627082003 363230374 /nfs/dbraw/zinc/23/03/74/363230374.db2.gz ZAPHAICZWWIBBN-HRDYMLBCSA-N 2 0 214.313 -0.369 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627082004 363230308 /nfs/dbraw/zinc/23/03/08/363230308.db2.gz ZAPHAICZWWIBBN-XHNCKOQMSA-N 2 0 214.313 -0.369 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NCCOCCC[NH3+] ZINC000627082031 363231276 /nfs/dbraw/zinc/23/12/76/363231276.db2.gz AGIOTSLOLRGOLQ-SECBINFHSA-N 2 0 232.328 -0.612 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)NCCOCCC[NH3+] ZINC000627082032 363231235 /nfs/dbraw/zinc/23/12/35/363231235.db2.gz AGIOTSLOLRGOLQ-VIFPVBQESA-N 2 0 232.328 -0.612 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000627082237 363231453 /nfs/dbraw/zinc/23/14/53/363231453.db2.gz GEGFFZVKAQJBGF-UHFFFAOYSA-N 2 0 214.313 -0.142 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC[NH2+]CCOC ZINC000627082241 363231224 /nfs/dbraw/zinc/23/12/24/363231224.db2.gz GNYUQCQJBQOMKI-UHFFFAOYSA-N 2 0 232.328 -0.787 20 0 BBADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627082281 363231165 /nfs/dbraw/zinc/23/11/65/363231165.db2.gz HJFTWWPLFZZPNV-VHSXEESVSA-N 2 0 244.339 -0.728 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000627082480 363231357 /nfs/dbraw/zinc/23/13/57/363231357.db2.gz KHLCOEGPQVFBSV-MRVPVSSYSA-N 2 0 202.302 -0.286 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000627082481 363231351 /nfs/dbraw/zinc/23/13/51/363231351.db2.gz KHLCOEGPQVFBSV-QMMMGPOBSA-N 2 0 202.302 -0.286 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N(C)CCOCC[NH3+] ZINC000627082496 363232194 /nfs/dbraw/zinc/23/21/94/363232194.db2.gz KWLYBFDGKKQTOG-SECBINFHSA-N 2 0 232.328 -0.660 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N(C)CCOCC[NH3+] ZINC000627082497 363232725 /nfs/dbraw/zinc/23/27/25/363232725.db2.gz KWLYBFDGKKQTOG-VIFPVBQESA-N 2 0 232.328 -0.660 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627082652 363233425 /nfs/dbraw/zinc/23/34/25/363233425.db2.gz MFQXCZDYHJRQMH-FXBDTBDDSA-N 2 0 226.324 -0.227 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000627082653 363233412 /nfs/dbraw/zinc/23/34/12/363233412.db2.gz MFQXCZDYHJRQMH-UJNFCWOMSA-N 2 0 226.324 -0.227 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1C[NH2+]C1 ZINC000627082958 363232931 /nfs/dbraw/zinc/23/29/31/363232931.db2.gz MWMFMCRUDQXCEP-IONNQARKSA-N 2 0 212.297 -0.745 20 0 BBADRP [NH3+]CCCOCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000627082961 363232157 /nfs/dbraw/zinc/23/21/57/363232157.db2.gz MYCXNGNTBDZYBQ-JTQLQIEISA-N 2 0 244.339 -0.612 20 0 BBADRP [NH3+]CCCOCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627082962 363232350 /nfs/dbraw/zinc/23/23/50/363232350.db2.gz MYCXNGNTBDZYBQ-SNVBAGLBSA-N 2 0 244.339 -0.612 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627083019 363232357 /nfs/dbraw/zinc/23/23/57/363232357.db2.gz PIPSVSPDDITCBO-NXEZZACHSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627083021 363232582 /nfs/dbraw/zinc/23/25/82/363232582.db2.gz PIPSVSPDDITCBO-UWVGGRQHSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627083022 363232222 /nfs/dbraw/zinc/23/22/22/363232222.db2.gz PIPSVSPDDITCBO-VHSXEESVSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627083024 363232549 /nfs/dbraw/zinc/23/25/49/363232549.db2.gz PIPSVSPDDITCBO-ZJUUUORDSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)NCC2C[NH2+]C2)C[NH2+]1 ZINC000627083289 363232467 /nfs/dbraw/zinc/23/24/67/363232467.db2.gz SDYRSIJDDXMHHG-PSASIEDQSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)NCC2C[NH2+]C2)C[NH2+]1 ZINC000627083290 363232312 /nfs/dbraw/zinc/23/23/12/363232312.db2.gz SDYRSIJDDXMHHG-SCZZXKLOSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)NCC2C[NH2+]C2)C[NH2+]1 ZINC000627083291 363232905 /nfs/dbraw/zinc/23/29/05/363232905.db2.gz SDYRSIJDDXMHHG-WCBMZHEXSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)NCC2C[NH2+]C2)C[NH2+]1 ZINC000627083296 363232651 /nfs/dbraw/zinc/23/26/51/363232651.db2.gz SDYRSIJDDXMHHG-WPRPVWTQSA-N 2 0 226.324 -0.355 20 0 BBADRP [NH3+]C1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC1 ZINC000627083447 363232247 /nfs/dbraw/zinc/23/22/47/363232247.db2.gz IJBCIMQBNOJWAX-SECBINFHSA-N 2 0 242.323 -0.845 20 0 BBADRP [NH3+]C1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC1 ZINC000627083448 363232697 /nfs/dbraw/zinc/23/26/97/363232697.db2.gz IJBCIMQBNOJWAX-VIFPVBQESA-N 2 0 242.323 -0.845 20 0 BBADRP C[NH2+]CCOCCNC(=O)NCC1([NH3+])CCC1 ZINC000627083480 363235395 /nfs/dbraw/zinc/23/53/95/363235395.db2.gz JHJSOZIWQRHEOL-UHFFFAOYSA-N 2 0 244.339 -0.597 20 0 BBADRP [NH3+][C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627083533 363235215 /nfs/dbraw/zinc/23/52/15/363235215.db2.gz VAKRZXYARLLEII-NXEZZACHSA-N 2 0 242.323 -0.989 20 0 BBADRP [NH3+][C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627083534 363234867 /nfs/dbraw/zinc/23/48/67/363234867.db2.gz VAKRZXYARLLEII-UWVGGRQHSA-N 2 0 242.323 -0.989 20 0 BBADRP [NH3+][C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627083535 363235133 /nfs/dbraw/zinc/23/51/33/363235133.db2.gz VAKRZXYARLLEII-VHSXEESVSA-N 2 0 242.323 -0.989 20 0 BBADRP [NH3+][C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627083536 363235422 /nfs/dbraw/zinc/23/54/22/363235422.db2.gz VAKRZXYARLLEII-ZJUUUORDSA-N 2 0 242.323 -0.989 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000627083539 363235238 /nfs/dbraw/zinc/23/52/38/363235238.db2.gz VGZSNCAENFQLBE-JTQLQIEISA-N 2 0 244.339 -0.741 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627083540 363235015 /nfs/dbraw/zinc/23/50/15/363235015.db2.gz VGZSNCAENFQLBE-SNVBAGLBSA-N 2 0 244.339 -0.741 20 0 BBADRP CN(CCOCC[NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000627083559 363235372 /nfs/dbraw/zinc/23/53/72/363235372.db2.gz VZCRFVAHMJTOTG-JTQLQIEISA-N 2 0 244.339 -0.660 20 0 BBADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627083560 363235317 /nfs/dbraw/zinc/23/53/17/363235317.db2.gz VZCRFVAHMJTOTG-SNVBAGLBSA-N 2 0 244.339 -0.660 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627083582 363235176 /nfs/dbraw/zinc/23/51/76/363235176.db2.gz WYWXUAKDSHPZBW-SECBINFHSA-N 2 0 214.313 -0.286 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000627083583 363235095 /nfs/dbraw/zinc/23/50/95/363235095.db2.gz WYWXUAKDSHPZBW-VIFPVBQESA-N 2 0 214.313 -0.286 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627083678 363235419 /nfs/dbraw/zinc/23/54/19/363235419.db2.gz VOBBPWWOUXYCCY-HTQZYQBOSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627083679 363235257 /nfs/dbraw/zinc/23/52/57/363235257.db2.gz VOBBPWWOUXYCCY-JGVFFNPUSA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627083683 363235114 /nfs/dbraw/zinc/23/51/14/363235114.db2.gz VSOYWHSVEOPAIC-BDAKNGLRSA-N 2 0 230.312 -0.989 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627083684 363235284 /nfs/dbraw/zinc/23/52/84/363235284.db2.gz VSOYWHSVEOPAIC-DTWKUNHWSA-N 2 0 230.312 -0.989 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627083685 363235002 /nfs/dbraw/zinc/23/50/02/363235002.db2.gz VSOYWHSVEOPAIC-IUCAKERBSA-N 2 0 230.312 -0.989 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627083686 363235150 /nfs/dbraw/zinc/23/51/50/363235150.db2.gz VSOYWHSVEOPAIC-RKDXNWHRSA-N 2 0 230.312 -0.989 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1C[NH2+]C1 ZINC000627083738 363235295 /nfs/dbraw/zinc/23/52/95/363235295.db2.gz XWARDCRBEFWADN-VHSXEESVSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000627083811 363233785 /nfs/dbraw/zinc/23/37/85/363233785.db2.gz LGWXRIAYEFHQDR-DTWKUNHWSA-N 2 0 226.324 -0.083 20 0 BBADRP [NH3+][C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627083934 363233444 /nfs/dbraw/zinc/23/34/44/363233444.db2.gz YOSOVLCAPTWOLK-BDAKNGLRSA-N 2 0 212.297 -0.615 20 0 BBADRP [NH3+][C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627083935 363233410 /nfs/dbraw/zinc/23/34/10/363233410.db2.gz YOSOVLCAPTWOLK-RKDXNWHRSA-N 2 0 212.297 -0.615 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)CC[NH3+] ZINC000627083953 363233645 /nfs/dbraw/zinc/23/36/45/363233645.db2.gz YYHSCFXGUOUISL-SECBINFHSA-N 2 0 232.328 -0.741 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000627083954 363233510 /nfs/dbraw/zinc/23/35/10/363233510.db2.gz YYHSCFXGUOUISL-VIFPVBQESA-N 2 0 232.328 -0.741 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627083985 363233477 /nfs/dbraw/zinc/23/34/77/363233477.db2.gz ZQXBIAGGMSMZIA-HRDYMLBCSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627083986 363233493 /nfs/dbraw/zinc/23/34/93/363233493.db2.gz ZQXBIAGGMSMZIA-XHNCKOQMSA-N 2 0 214.313 -0.227 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)CC[NH3+] ZINC000627083996 363233447 /nfs/dbraw/zinc/23/34/47/363233447.db2.gz ZWZQKEXDFRWLPC-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)CC[NH3+] ZINC000627083997 363233472 /nfs/dbraw/zinc/23/34/72/363233472.db2.gz ZWZQKEXDFRWLPC-SNVBAGLBSA-N 2 0 246.355 -0.399 20 0 BBADRP CN(CCOCC[NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000627084159 363233960 /nfs/dbraw/zinc/23/39/60/363233960.db2.gz PVYRBURGYBFHPN-UHFFFAOYSA-N 2 0 244.339 -0.516 20 0 BBADRP [NH3+]CCCOCCNC(=O)NCC1([NH3+])CCC1 ZINC000627084353 363235191 /nfs/dbraw/zinc/23/51/91/363235191.db2.gz SYYUPLHXPDCXLD-UHFFFAOYSA-N 2 0 244.339 -0.468 20 0 BBADRP [NH3+]C1(CNC(=O)N[C@@H]2CC[NH2+]C2)CCC1 ZINC000627084488 363236302 /nfs/dbraw/zinc/23/63/02/363236302.db2.gz UQEHVZJOZXPHOX-MRVPVSSYSA-N 2 0 212.297 -0.471 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627084674 363237688 /nfs/dbraw/zinc/23/76/88/363237688.db2.gz LMBZRHUFOHKKBW-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627084725 363234770 /nfs/dbraw/zinc/23/47/70/363234770.db2.gz CEHVXAJPDINMJM-GJMOJQLCSA-N 2 0 200.286 -0.617 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[NH3+] ZINC000627085101 363236626 /nfs/dbraw/zinc/23/66/26/363236626.db2.gz SZWJBEBQSHBOQK-HRDYMLBCSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627085187 363236151 /nfs/dbraw/zinc/23/61/51/363236151.db2.gz JKVCEHJILQZLLO-DJLDLDEBSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627085188 363236345 /nfs/dbraw/zinc/23/63/45/363236345.db2.gz JKVCEHJILQZLLO-HLTSFMKQSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627085189 363236257 /nfs/dbraw/zinc/23/62/57/363236257.db2.gz JKVCEHJILQZLLO-IWSPIJDZSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627085190 363236216 /nfs/dbraw/zinc/23/62/16/363236216.db2.gz JKVCEHJILQZLLO-YIZRAAEISA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627085236 363235850 /nfs/dbraw/zinc/23/58/50/363235850.db2.gz KFPIUCSUEUKVOX-JLLWLGSASA-N 2 0 240.351 -0.025 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000627085243 363236659 /nfs/dbraw/zinc/23/66/59/363236659.db2.gz VRSXKUJOWXYNRC-UHFFFAOYSA-N 2 0 226.324 -0.104 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627085328 363236770 /nfs/dbraw/zinc/23/67/70/363236770.db2.gz LMBZRHUFOHKKBW-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)C[NH3+] ZINC000627085554 363239328 /nfs/dbraw/zinc/23/93/28/363239328.db2.gz PTYTUANXSYFHHH-SECBINFHSA-N 2 0 232.328 -0.789 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627086010 363237886 /nfs/dbraw/zinc/23/78/86/363237886.db2.gz DPABQNCLWWRYFY-AEJSXWLSSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627086011 363237958 /nfs/dbraw/zinc/23/79/58/363237958.db2.gz DPABQNCLWWRYFY-BBBLOLIVSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627086012 363237344 /nfs/dbraw/zinc/23/73/44/363237344.db2.gz DPABQNCLWWRYFY-IVZWLZJFSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627086013 363237258 /nfs/dbraw/zinc/23/72/58/363237258.db2.gz DPABQNCLWWRYFY-OPRDCNLKSA-N 2 0 226.324 -0.355 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]CC1 ZINC000627086358 363239996 /nfs/dbraw/zinc/23/99/96/363239996.db2.gz QYBUAXDOVHWFOK-NXEZZACHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]CC1 ZINC000627086359 363239829 /nfs/dbraw/zinc/23/98/29/363239829.db2.gz QYBUAXDOVHWFOK-VHSXEESVSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000627087085 363239797 /nfs/dbraw/zinc/23/97/97/363239797.db2.gz FLFIYQTXGRRWME-SNVBAGLBSA-N 2 0 224.308 -0.433 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000627087943 363241154 /nfs/dbraw/zinc/24/11/54/363241154.db2.gz MNMLFHJMGDFCOA-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000627087944 363241063 /nfs/dbraw/zinc/24/10/63/363241063.db2.gz MNMLFHJMGDFCOA-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000627087945 363241456 /nfs/dbraw/zinc/24/14/56/363241456.db2.gz MNMLFHJMGDFCOA-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000627087946 363241638 /nfs/dbraw/zinc/24/16/38/363241638.db2.gz MNMLFHJMGDFCOA-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627088160 363241534 /nfs/dbraw/zinc/24/15/34/363241534.db2.gz GCSKZHHNNWIGTG-CIUDSAMLSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627088161 363241580 /nfs/dbraw/zinc/24/15/80/363241580.db2.gz GCSKZHHNNWIGTG-DJLDLDEBSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627088162 363241393 /nfs/dbraw/zinc/24/13/93/363241393.db2.gz GCSKZHHNNWIGTG-XHNCKOQMSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627088163 363241576 /nfs/dbraw/zinc/24/15/76/363241576.db2.gz GCSKZHHNNWIGTG-YIZRAAEISA-N 2 0 214.313 -0.227 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627088334 363241265 /nfs/dbraw/zinc/24/12/65/363241265.db2.gz PSRJBQJOFGUBEP-IVZWLZJFSA-N 2 0 226.324 -0.083 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627088335 363241360 /nfs/dbraw/zinc/24/13/60/363241360.db2.gz PSRJBQJOFGUBEP-KXUCPTDWSA-N 2 0 226.324 -0.083 20 0 BBADRP [NH3+][C@H]1CCC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627088336 363241259 /nfs/dbraw/zinc/24/12/59/363241259.db2.gz PSRJBQJOFGUBEP-LPEHRKFASA-N 2 0 226.324 -0.083 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627088337 363241606 /nfs/dbraw/zinc/24/16/06/363241606.db2.gz PSRJBQJOFGUBEP-OPRDCNLKSA-N 2 0 226.324 -0.083 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)[NH3+] ZINC000627088427 363241398 /nfs/dbraw/zinc/24/13/98/363241398.db2.gz HHCBFXWEXGHNKK-HRDYMLBCSA-N 2 0 214.313 -0.227 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[NH3+] ZINC000627088428 363241378 /nfs/dbraw/zinc/24/13/78/363241378.db2.gz HHCBFXWEXGHNKK-XHNCKOQMSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627088443 363241141 /nfs/dbraw/zinc/24/11/41/363241141.db2.gz HYIRMTRXWPRYHM-AEJSXWLSSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627088444 363241270 /nfs/dbraw/zinc/24/12/70/363241270.db2.gz HYIRMTRXWPRYHM-BBBLOLIVSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627088445 363241121 /nfs/dbraw/zinc/24/11/21/363241121.db2.gz HYIRMTRXWPRYHM-IVZWLZJFSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627088446 363241385 /nfs/dbraw/zinc/24/13/85/363241385.db2.gz HYIRMTRXWPRYHM-OPRDCNLKSA-N 2 0 226.324 -0.355 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)NCCOCCC[NH3+] ZINC000627088503 363241176 /nfs/dbraw/zinc/24/11/76/363241176.db2.gz AIGXCMFIACIUNH-SNVBAGLBSA-N 2 0 246.355 -0.351 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627088801 363242506 /nfs/dbraw/zinc/24/25/06/363242506.db2.gz IZFTXERUHTUFTQ-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627088802 363242241 /nfs/dbraw/zinc/24/22/41/363242241.db2.gz IZFTXERUHTUFTQ-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)NCCOCC[NH2+]C ZINC000627089041 363242746 /nfs/dbraw/zinc/24/27/46/363242746.db2.gz HSNOMDHBHRNFLX-SNVBAGLBSA-N 2 0 246.355 -0.480 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627089065 363242437 /nfs/dbraw/zinc/24/24/37/363242437.db2.gz HXJPHDBVZUBXFV-JLLWLGSASA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627089067 363242329 /nfs/dbraw/zinc/24/23/29/363242329.db2.gz HXJPHDBVZUBXFV-ZMLRMANQSA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1=CC[NH2+]CC1 ZINC000627089182 363242536 /nfs/dbraw/zinc/24/25/36/363242536.db2.gz UFHGDGHCQFCREV-GXSJLCMTSA-N 2 0 238.335 -0.044 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627089333 363242398 /nfs/dbraw/zinc/24/23/98/363242398.db2.gz IZFTXERUHTUFTQ-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627089334 363242415 /nfs/dbraw/zinc/24/24/15/363242415.db2.gz IZFTXERUHTUFTQ-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000627089416 363242090 /nfs/dbraw/zinc/24/20/90/363242090.db2.gz VAJWHDZNIXGYLY-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000627089419 363242449 /nfs/dbraw/zinc/24/24/49/363242449.db2.gz VAJWHDZNIXGYLY-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000627089422 363242290 /nfs/dbraw/zinc/24/22/90/363242290.db2.gz VAJWHDZNIXGYLY-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000627089424 363242461 /nfs/dbraw/zinc/24/24/61/363242461.db2.gz VAJWHDZNIXGYLY-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N(C)CCOCC[NH3+] ZINC000627089582 363242138 /nfs/dbraw/zinc/24/21/38/363242138.db2.gz KQGDPKGFFFVWMW-SNVBAGLBSA-N 2 0 246.355 -0.399 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627089683 363242618 /nfs/dbraw/zinc/24/26/18/363242618.db2.gz LRWFWBUHFGGWTL-RKDXNWHRSA-N 2 0 214.313 -0.355 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627089878 363242696 /nfs/dbraw/zinc/24/26/96/363242696.db2.gz MTPCUXGQXZCXOX-BIIVOSGPSA-N 2 0 200.286 -0.617 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627089880 363242709 /nfs/dbraw/zinc/24/27/09/363242709.db2.gz MTPCUXGQXZCXOX-GJMOJQLCSA-N 2 0 200.286 -0.617 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627089908 363242546 /nfs/dbraw/zinc/24/25/46/363242546.db2.gz MVYVLYRNWJJKBT-NXEZZACHSA-N 2 0 244.339 -0.728 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627089911 363242761 /nfs/dbraw/zinc/24/27/61/363242761.db2.gz MVYVLYRNWJJKBT-ZJUUUORDSA-N 2 0 244.339 -0.728 20 0 BBADRP O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000627089979 363242771 /nfs/dbraw/zinc/24/27/71/363242771.db2.gz NNGQBSWIVVWSEX-LLVKDONJSA-N 2 0 238.335 -0.043 20 0 BBADRP C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000627090413 363243277 /nfs/dbraw/zinc/24/32/77/363243277.db2.gz VKLLRQHKSNCOQP-IVZWLZJFSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000627090414 363243286 /nfs/dbraw/zinc/24/32/86/363243286.db2.gz VKLLRQHKSNCOQP-KXUCPTDWSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000627090415 363243214 /nfs/dbraw/zinc/24/32/14/363243214.db2.gz VKLLRQHKSNCOQP-LPEHRKFASA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000627090416 363243256 /nfs/dbraw/zinc/24/32/56/363243256.db2.gz VKLLRQHKSNCOQP-OPRDCNLKSA-N 2 0 226.324 -0.212 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](C)[NH3+] ZINC000627090577 363243297 /nfs/dbraw/zinc/24/32/97/363243297.db2.gz XUHVXKBVCIHSMI-SECBINFHSA-N 2 0 232.328 -0.789 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)[NH3+] ZINC000627090578 363243421 /nfs/dbraw/zinc/24/34/21/363243421.db2.gz XUHVXKBVCIHSMI-VIFPVBQESA-N 2 0 232.328 -0.789 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N(CC)CC[NH3+] ZINC000627090693 363244537 /nfs/dbraw/zinc/24/45/37/363244537.db2.gz ZOMGTBILRFXIQW-SECBINFHSA-N 2 0 216.329 -0.025 20 0 BBADRP CCN(CC[NH3+])C(=O)NC/C=C\C[NH3+] ZINC000627092466 363249383 /nfs/dbraw/zinc/24/93/83/363249383.db2.gz BZOVJOTWBBEHQN-ARJAWSKDSA-N 2 0 200.286 -0.509 20 0 BBADRP CCN(CC[NH3+])C(=O)NC/C=C/C[NH3+] ZINC000627092467 363249391 /nfs/dbraw/zinc/24/93/91/363249391.db2.gz BZOVJOTWBBEHQN-ONEGZZNKSA-N 2 0 200.286 -0.509 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC/C=C/C[NH3+] ZINC000627092482 363249666 /nfs/dbraw/zinc/24/96/66/363249666.db2.gz CDKCLILYKQASRM-FCVPOFOPSA-N 2 0 226.324 -0.059 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC/C=C\C[NH3+] ZINC000627092483 363249695 /nfs/dbraw/zinc/24/96/95/363249695.db2.gz CDKCLILYKQASRM-RWCMCFKCSA-N 2 0 226.324 -0.059 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC/C=C/C[NH3+] ZINC000627092662 363249783 /nfs/dbraw/zinc/24/97/83/363249783.db2.gz CQJRXEROWIPKIH-AHQHDXANSA-N 2 0 212.297 -0.449 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC/C=C\C[NH3+] ZINC000627092663 363251051 /nfs/dbraw/zinc/25/10/51/363251051.db2.gz CQJRXEROWIPKIH-NFLJOPSSSA-N 2 0 212.297 -0.449 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC/C=C\C[NH3+] ZINC000627093174 363249586 /nfs/dbraw/zinc/24/95/86/363249586.db2.gz IEKZIPSGUIIUFD-IHWYPQMZSA-N 2 0 230.312 -0.964 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC/C=C/C[NH3+] ZINC000627093178 363249341 /nfs/dbraw/zinc/24/93/41/363249341.db2.gz IEKZIPSGUIIUFD-NSCUHMNNSA-N 2 0 230.312 -0.964 20 0 BBADRP [NH3+]C/C=C/CNC(=O)NCCOCCC[NH3+] ZINC000627093929 363252092 /nfs/dbraw/zinc/25/20/92/363252092.db2.gz RLRZDYWWXZWECS-OWOJBTEDSA-N 2 0 230.312 -0.834 20 0 BBADRP [NH3+]C/C=C\CNC(=O)NCCOCCC[NH3+] ZINC000627093930 363252187 /nfs/dbraw/zinc/25/21/87/363252187.db2.gz RLRZDYWWXZWECS-UPHRSURJSA-N 2 0 230.312 -0.834 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)NC/C=C/C[NH3+])C[NH2+]1 ZINC000627094262 363252216 /nfs/dbraw/zinc/25/22/16/363252216.db2.gz WKJHGQUXYRIJST-HLKOZVMDSA-N 2 0 226.324 -0.059 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)NC/C=C\C[NH3+])C[NH2+]1 ZINC000627094263 363252164 /nfs/dbraw/zinc/25/21/64/363252164.db2.gz WKJHGQUXYRIJST-JAFKPYBISA-N 2 0 226.324 -0.059 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)NC/C=C\C[NH3+])C[NH2+]1 ZINC000627094264 363251977 /nfs/dbraw/zinc/25/19/77/363251977.db2.gz WKJHGQUXYRIJST-LTFJCZIQSA-N 2 0 226.324 -0.059 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)NC/C=C/C[NH3+])C[NH2+]1 ZINC000627094265 363252243 /nfs/dbraw/zinc/25/22/43/363252243.db2.gz WKJHGQUXYRIJST-NBYFHADBSA-N 2 0 226.324 -0.059 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094629 363253119 /nfs/dbraw/zinc/25/31/19/363253119.db2.gz HEQXLNTZTXUCIK-SRQGCSHVSA-N 2 0 224.308 -0.746 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094845 363254267 /nfs/dbraw/zinc/25/42/67/363254267.db2.gz NBNSZUHMYDXBQH-OGBGREFGSA-N 2 0 238.335 -0.356 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094976 363254346 /nfs/dbraw/zinc/25/43/46/363254346.db2.gz RNAJTEXAVGOBBV-BRPSZJMVSA-N 2 0 212.297 -0.806 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC000627095196 363254616 /nfs/dbraw/zinc/25/46/16/363254616.db2.gz WWMIFUSQHSYGGK-APLZJWDSSA-N 2 0 238.335 -0.356 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC000627095199 363254505 /nfs/dbraw/zinc/25/45/05/363254505.db2.gz WWMIFUSQHSYGGK-XXFSISAASA-N 2 0 238.335 -0.356 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000627095388 363254223 /nfs/dbraw/zinc/25/42/23/363254223.db2.gz CUKRQODMTJYLEQ-JTQLQIEISA-N 2 0 246.355 -0.351 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000627095389 363254775 /nfs/dbraw/zinc/25/47/75/363254775.db2.gz CUKRQODMTJYLEQ-SNVBAGLBSA-N 2 0 246.355 -0.351 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627095416 363254366 /nfs/dbraw/zinc/25/43/66/363254366.db2.gz DYHBTTNLIPTTBY-DTWKUNHWSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627095417 363254152 /nfs/dbraw/zinc/25/41/52/363254152.db2.gz DYHBTTNLIPTTBY-RKDXNWHRSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)N(C)CCOCC[NH3+] ZINC000627095534 363252050 /nfs/dbraw/zinc/25/20/50/363252050.db2.gz IYCPAWSMYOUIAW-JTQLQIEISA-N 2 0 246.355 -0.270 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)N(C)CCOCC[NH3+] ZINC000627095535 363252379 /nfs/dbraw/zinc/25/23/79/363252379.db2.gz IYCPAWSMYOUIAW-SNVBAGLBSA-N 2 0 246.355 -0.270 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)NCCOCCC[NH3+] ZINC000627096064 363253166 /nfs/dbraw/zinc/25/31/66/363253166.db2.gz QEKPYVNMIMBXHL-JTQLQIEISA-N 2 0 246.355 -0.222 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)NCCOCCC[NH3+] ZINC000627096065 363253348 /nfs/dbraw/zinc/25/33/48/363253348.db2.gz QEKPYVNMIMBXHL-SNVBAGLBSA-N 2 0 246.355 -0.222 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627096427 363253423 /nfs/dbraw/zinc/25/34/23/363253423.db2.gz VTGNFSOUDUFPAG-NXEZZACHSA-N 2 0 244.339 -0.599 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627096428 363253514 /nfs/dbraw/zinc/25/35/14/363253514.db2.gz VTGNFSOUDUFPAG-UWVGGRQHSA-N 2 0 244.339 -0.599 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627096429 363253263 /nfs/dbraw/zinc/25/32/63/363253263.db2.gz VTGNFSOUDUFPAG-VHSXEESVSA-N 2 0 244.339 -0.599 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627096430 363253174 /nfs/dbraw/zinc/25/31/74/363253174.db2.gz VTGNFSOUDUFPAG-ZJUUUORDSA-N 2 0 244.339 -0.599 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC000627096550 363253256 /nfs/dbraw/zinc/25/32/56/363253256.db2.gz WWMIFUSQHSYGGK-LADJIXMOSA-N 2 0 238.335 -0.356 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC000627096552 363253364 /nfs/dbraw/zinc/25/33/64/363253364.db2.gz WWMIFUSQHSYGGK-OGBGREFGSA-N 2 0 238.335 -0.356 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N(CC)CC[NH3+] ZINC000627097107 363256748 /nfs/dbraw/zinc/25/67/48/363256748.db2.gz DBQYXFQUBSTGAO-MRVPVSSYSA-N 2 0 202.302 -0.286 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N(CC)CC[NH3+] ZINC000627097109 363257290 /nfs/dbraw/zinc/25/72/90/363257290.db2.gz DBQYXFQUBSTGAO-QMMMGPOBSA-N 2 0 202.302 -0.286 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NCCOCC[NH2+]C ZINC000627097182 363257122 /nfs/dbraw/zinc/25/71/22/363257122.db2.gz DUIMWNRQACOQMP-SECBINFHSA-N 2 0 232.328 -0.741 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NCCOCC[NH2+]C ZINC000627097183 363257438 /nfs/dbraw/zinc/25/74/38/363257438.db2.gz DUIMWNRQACOQMP-VIFPVBQESA-N 2 0 232.328 -0.741 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627097233 363257515 /nfs/dbraw/zinc/25/75/15/363257515.db2.gz FZBKDQJZPRXCDT-BDAKNGLRSA-N 2 0 230.312 -0.989 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627097234 363256678 /nfs/dbraw/zinc/25/66/78/363256678.db2.gz FZBKDQJZPRXCDT-DTWKUNHWSA-N 2 0 230.312 -0.989 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627097235 363257064 /nfs/dbraw/zinc/25/70/64/363257064.db2.gz FZBKDQJZPRXCDT-IUCAKERBSA-N 2 0 230.312 -0.989 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627097236 363257338 /nfs/dbraw/zinc/25/73/38/363257338.db2.gz FZBKDQJZPRXCDT-RKDXNWHRSA-N 2 0 230.312 -0.989 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627097243 363257690 /nfs/dbraw/zinc/25/76/90/363257690.db2.gz IVWGLGHJNZEBBL-BIIVOSGPSA-N 2 0 200.286 -0.617 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627097244 363256988 /nfs/dbraw/zinc/25/69/88/363256988.db2.gz IVWGLGHJNZEBBL-BWZBUEFSSA-N 2 0 200.286 -0.617 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627097245 363257307 /nfs/dbraw/zinc/25/73/07/363257307.db2.gz IVWGLGHJNZEBBL-GJMOJQLCSA-N 2 0 200.286 -0.617 20 0 BBADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000627097246 363257131 /nfs/dbraw/zinc/25/71/31/363257131.db2.gz IVWGLGHJNZEBBL-XLPZGREQSA-N 2 0 200.286 -0.617 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000627097602 363258552 /nfs/dbraw/zinc/25/85/52/363258552.db2.gz MLVSFYPYBCWKON-HTQZYQBOSA-N 2 0 202.302 -0.288 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000627097603 363258373 /nfs/dbraw/zinc/25/83/73/363258373.db2.gz MLVSFYPYBCWKON-JGVFFNPUSA-N 2 0 202.302 -0.288 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000627097604 363258753 /nfs/dbraw/zinc/25/87/53/363258753.db2.gz MLVSFYPYBCWKON-SFYZADRCSA-N 2 0 202.302 -0.288 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000627097605 363258447 /nfs/dbraw/zinc/25/84/47/363258447.db2.gz MLVSFYPYBCWKON-YUMQZZPRSA-N 2 0 202.302 -0.288 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000627097730 363258596 /nfs/dbraw/zinc/25/85/96/363258596.db2.gz OHFAVDMMPMDZCE-NXEZZACHSA-N 2 0 246.355 -0.401 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000627097731 363258280 /nfs/dbraw/zinc/25/82/80/363258280.db2.gz OHFAVDMMPMDZCE-UWVGGRQHSA-N 2 0 246.355 -0.401 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000627097732 363258649 /nfs/dbraw/zinc/25/86/49/363258649.db2.gz OHFAVDMMPMDZCE-VHSXEESVSA-N 2 0 246.355 -0.401 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000627097733 363258430 /nfs/dbraw/zinc/25/84/30/363258430.db2.gz OHFAVDMMPMDZCE-ZJUUUORDSA-N 2 0 246.355 -0.401 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NCCOCCC[NH3+] ZINC000627097875 363258282 /nfs/dbraw/zinc/25/82/82/363258282.db2.gz MPEGYMFZGLHLMX-SECBINFHSA-N 2 0 232.328 -0.612 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NCCOCCC[NH3+] ZINC000627097877 363258484 /nfs/dbraw/zinc/25/84/84/363258484.db2.gz MPEGYMFZGLHLMX-VIFPVBQESA-N 2 0 232.328 -0.612 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627097890 363258338 /nfs/dbraw/zinc/25/83/38/363258338.db2.gz MUPFSOPHTWDTMU-SECBINFHSA-N 2 0 244.339 -0.469 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627097892 363258663 /nfs/dbraw/zinc/25/86/63/363258663.db2.gz MUPFSOPHTWDTMU-VIFPVBQESA-N 2 0 244.339 -0.469 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627098209 363259794 /nfs/dbraw/zinc/25/97/94/363259794.db2.gz RPAIXDPEVQAESS-BDAKNGLRSA-N 2 0 232.328 -0.661 20 0 BBADRP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H](C)[NH3+] ZINC000627098210 363258860 /nfs/dbraw/zinc/25/88/60/363258860.db2.gz RPAIXDPEVQAESS-DTWKUNHWSA-N 2 0 232.328 -0.661 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627098211 363259226 /nfs/dbraw/zinc/25/92/26/363259226.db2.gz RPAIXDPEVQAESS-IUCAKERBSA-N 2 0 232.328 -0.661 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627098212 363258867 /nfs/dbraw/zinc/25/88/67/363258867.db2.gz RPAIXDPEVQAESS-RKDXNWHRSA-N 2 0 232.328 -0.661 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627098273 363259567 /nfs/dbraw/zinc/25/95/67/363259567.db2.gz UBKFRWTYCDASCK-LURQLKTLSA-N 2 0 214.313 -0.228 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627098274 363259025 /nfs/dbraw/zinc/25/90/25/363259025.db2.gz UBKFRWTYCDASCK-RYPBNFRJSA-N 2 0 214.313 -0.228 20 0 BBADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H](C)[NH3+] ZINC000627098275 363259125 /nfs/dbraw/zinc/25/91/25/363259125.db2.gz UBKFRWTYCDASCK-UYXSQOIJSA-N 2 0 214.313 -0.228 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627098276 363258952 /nfs/dbraw/zinc/25/89/52/363258952.db2.gz UBKFRWTYCDASCK-XSPKLOCKSA-N 2 0 214.313 -0.228 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1COCCN1C ZINC000627098329 363259472 /nfs/dbraw/zinc/25/94/72/363259472.db2.gz SPMPUDVMARKRLG-NXEZZACHSA-N 2 0 244.339 -0.647 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1COCCN1C ZINC000627098330 363259445 /nfs/dbraw/zinc/25/94/45/363259445.db2.gz SPMPUDVMARKRLG-UWVGGRQHSA-N 2 0 244.339 -0.647 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1COCCN1C ZINC000627098331 363259337 /nfs/dbraw/zinc/25/93/37/363259337.db2.gz SPMPUDVMARKRLG-VHSXEESVSA-N 2 0 244.339 -0.647 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1COCCN1C ZINC000627098332 363259129 /nfs/dbraw/zinc/25/91/29/363259129.db2.gz SPMPUDVMARKRLG-ZJUUUORDSA-N 2 0 244.339 -0.647 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627098427 363258923 /nfs/dbraw/zinc/25/89/23/363258923.db2.gz UZPMJRNVIPIAPG-BDAKNGLRSA-N 2 0 232.328 -0.613 20 0 BBADRP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@H](C)[NH3+] ZINC000627098428 363258908 /nfs/dbraw/zinc/25/89/08/363258908.db2.gz UZPMJRNVIPIAPG-DTWKUNHWSA-N 2 0 232.328 -0.613 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627098429 363259365 /nfs/dbraw/zinc/25/93/65/363259365.db2.gz UZPMJRNVIPIAPG-IUCAKERBSA-N 2 0 232.328 -0.613 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627098430 363259623 /nfs/dbraw/zinc/25/96/23/363259623.db2.gz UZPMJRNVIPIAPG-RKDXNWHRSA-N 2 0 232.328 -0.613 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000627098443 363259032 /nfs/dbraw/zinc/25/90/32/363259032.db2.gz VHSDMKLAXNMVNP-BDAKNGLRSA-N 2 0 232.328 -0.743 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000627098444 363259161 /nfs/dbraw/zinc/25/91/61/363259161.db2.gz VHSDMKLAXNMVNP-DTWKUNHWSA-N 2 0 232.328 -0.743 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000627098445 363259000 /nfs/dbraw/zinc/25/90/00/363259000.db2.gz VHSDMKLAXNMVNP-IUCAKERBSA-N 2 0 232.328 -0.743 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000627098446 363259513 /nfs/dbraw/zinc/25/95/13/363259513.db2.gz VHSDMKLAXNMVNP-RKDXNWHRSA-N 2 0 232.328 -0.743 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N(C)CCOCC[NH2+]C ZINC000627098527 363259585 /nfs/dbraw/zinc/25/95/85/363259585.db2.gz VCYBBQILHKLGDP-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N(C)CCOCC[NH2+]C ZINC000627098528 363259170 /nfs/dbraw/zinc/25/91/70/363259170.db2.gz VCYBBQILHKLGDP-SNVBAGLBSA-N 2 0 246.355 -0.399 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627098567 363259208 /nfs/dbraw/zinc/25/92/08/363259208.db2.gz WAOHQDHYSBIZKF-HTQZYQBOSA-N 2 0 200.286 -0.615 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627098568 363259689 /nfs/dbraw/zinc/25/96/89/363259689.db2.gz WAOHQDHYSBIZKF-JGVFFNPUSA-N 2 0 200.286 -0.615 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627098794 363255814 /nfs/dbraw/zinc/25/58/14/363255814.db2.gz XVXVISLBPNIKPC-DJLDLDEBSA-N 2 0 214.313 -0.227 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627098795 363255512 /nfs/dbraw/zinc/25/55/12/363255512.db2.gz XVXVISLBPNIKPC-XHNCKOQMSA-N 2 0 214.313 -0.227 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627098830 363255684 /nfs/dbraw/zinc/25/56/84/363255684.db2.gz YFFHVZOFSRJWRC-SECBINFHSA-N 2 0 244.339 -0.469 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627098832 363255451 /nfs/dbraw/zinc/25/54/51/363255451.db2.gz YFFHVZOFSRJWRC-VIFPVBQESA-N 2 0 244.339 -0.469 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N(C)CCOCC[NH3+] ZINC000627098862 363256895 /nfs/dbraw/zinc/25/68/95/363256895.db2.gz YTZUPGTZZBFZAS-SECBINFHSA-N 2 0 232.328 -0.660 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N(C)CCOCC[NH3+] ZINC000627098863 363256728 /nfs/dbraw/zinc/25/67/28/363256728.db2.gz YTZUPGTZZBFZAS-VIFPVBQESA-N 2 0 232.328 -0.660 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)C(F)F ZINC000627099296 363260875 /nfs/dbraw/zinc/26/08/75/363260875.db2.gz NDZWRCRDHBEJFV-RNFRBKRXSA-N 2 0 236.266 -0.370 20 0 BBADRP [NH3+]CC[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)C(F)F ZINC000627099297 363260468 /nfs/dbraw/zinc/26/04/68/363260468.db2.gz NDZWRCRDHBEJFV-RQJHMYQMSA-N 2 0 236.266 -0.370 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627101230 363262017 /nfs/dbraw/zinc/26/20/17/363262017.db2.gz TUPWNEPTSFEFLT-JTQLQIEISA-N 2 0 244.339 -0.645 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627101232 363261814 /nfs/dbraw/zinc/26/18/14/363261814.db2.gz TUPWNEPTSFEFLT-SNVBAGLBSA-N 2 0 244.339 -0.645 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627102213 363261371 /nfs/dbraw/zinc/26/13/71/363261371.db2.gz JHUJGQLEJOSZJZ-IVZWLZJFSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627102214 363261199 /nfs/dbraw/zinc/26/11/99/363261199.db2.gz JHUJGQLEJOSZJZ-KXUCPTDWSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627102215 363261708 /nfs/dbraw/zinc/26/17/08/363261708.db2.gz JHUJGQLEJOSZJZ-LPEHRKFASA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627102216 363261658 /nfs/dbraw/zinc/26/16/58/363261658.db2.gz JHUJGQLEJOSZJZ-OPRDCNLKSA-N 2 0 226.324 -0.225 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CC[NH2+]C1 ZINC000627104019 363263316 /nfs/dbraw/zinc/26/33/16/363263316.db2.gz ZORLQMZIZCQXDO-NXEZZACHSA-N 2 0 242.323 -0.974 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CC[NH2+]C1 ZINC000627104020 363263123 /nfs/dbraw/zinc/26/31/23/363263123.db2.gz ZORLQMZIZCQXDO-ZJUUUORDSA-N 2 0 242.323 -0.974 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627107907 363265813 /nfs/dbraw/zinc/26/58/13/363265813.db2.gz OMTQYTOBWDMRDJ-AEJSXWLSSA-N 2 0 244.339 -0.600 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627107908 363265664 /nfs/dbraw/zinc/26/56/64/363265664.db2.gz OMTQYTOBWDMRDJ-GUBZILKMSA-N 2 0 244.339 -0.600 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627107909 363265633 /nfs/dbraw/zinc/26/56/33/363265633.db2.gz OMTQYTOBWDMRDJ-IVZWLZJFSA-N 2 0 244.339 -0.600 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627107910 363265453 /nfs/dbraw/zinc/26/54/53/363265453.db2.gz OMTQYTOBWDMRDJ-LPEHRKFASA-N 2 0 244.339 -0.600 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627108313 363267068 /nfs/dbraw/zinc/26/70/68/363267068.db2.gz RTEZVSZFAHHWIP-NXEZZACHSA-N 2 0 246.355 -0.271 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627108314 363267140 /nfs/dbraw/zinc/26/71/40/363267140.db2.gz RTEZVSZFAHHWIP-UWVGGRQHSA-N 2 0 246.355 -0.271 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CCOCC[NH3+] ZINC000627108315 363267093 /nfs/dbraw/zinc/26/70/93/363267093.db2.gz RTEZVSZFAHHWIP-VHSXEESVSA-N 2 0 246.355 -0.271 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627108316 363266650 /nfs/dbraw/zinc/26/66/50/363266650.db2.gz RTEZVSZFAHHWIP-ZJUUUORDSA-N 2 0 246.355 -0.271 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627108529 363266564 /nfs/dbraw/zinc/26/65/64/363266564.db2.gz VOSNHFLBKARKNV-NXEZZACHSA-N 2 0 246.355 -0.223 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627108530 363266988 /nfs/dbraw/zinc/26/69/88/363266988.db2.gz VOSNHFLBKARKNV-UWVGGRQHSA-N 2 0 246.355 -0.223 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCOCCC[NH3+] ZINC000627108531 363266789 /nfs/dbraw/zinc/26/67/89/363266789.db2.gz VOSNHFLBKARKNV-VHSXEESVSA-N 2 0 246.355 -0.223 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627108532 363266969 /nfs/dbraw/zinc/26/69/69/363266969.db2.gz VOSNHFLBKARKNV-ZJUUUORDSA-N 2 0 246.355 -0.223 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627108825 363267253 /nfs/dbraw/zinc/26/72/53/363267253.db2.gz YPBWYKHCJQUDMM-DJLDLDEBSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627108826 363266726 /nfs/dbraw/zinc/26/67/26/363266726.db2.gz YPBWYKHCJQUDMM-HRDYMLBCSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627108827 363266627 /nfs/dbraw/zinc/26/66/27/363266627.db2.gz YPBWYKHCJQUDMM-IWSPIJDZSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627108828 363266555 /nfs/dbraw/zinc/26/65/55/363266555.db2.gz YPBWYKHCJQUDMM-XHNCKOQMSA-N 2 0 214.313 -0.227 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000627108836 363266961 /nfs/dbraw/zinc/26/69/61/363266961.db2.gz YWENGZRNFNOXLZ-NXEZZACHSA-N 2 0 246.355 -0.353 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000627108837 363267213 /nfs/dbraw/zinc/26/72/13/363267213.db2.gz YWENGZRNFNOXLZ-UWVGGRQHSA-N 2 0 246.355 -0.353 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000627108838 363267100 /nfs/dbraw/zinc/26/71/00/363267100.db2.gz YWENGZRNFNOXLZ-VHSXEESVSA-N 2 0 246.355 -0.353 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000627108839 363267246 /nfs/dbraw/zinc/26/72/46/363267246.db2.gz YWENGZRNFNOXLZ-ZJUUUORDSA-N 2 0 246.355 -0.353 20 0 BBADRP [NH3+]CC1(CCNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627110114 363267959 /nfs/dbraw/zinc/26/79/59/363267959.db2.gz VZNAJKXICSKHSK-SECBINFHSA-N 2 0 226.324 -0.224 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627110668 363270566 /nfs/dbraw/zinc/27/05/66/363270566.db2.gz FCNLUAHEBNDFIQ-MXWKQRLJSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000627112162 363272173 /nfs/dbraw/zinc/27/21/73/363272173.db2.gz BDGDJFFCHDUZHY-AEJSXWLSSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000627112163 363272127 /nfs/dbraw/zinc/27/21/27/363272127.db2.gz BDGDJFFCHDUZHY-GUBZILKMSA-N 2 0 226.324 -0.212 20 0 BBADRP [NH3+]C1(CNC(=O)N[C@@H]2CC[NH2+]C2)CCCC1 ZINC000627113662 363275063 /nfs/dbraw/zinc/27/50/63/363275063.db2.gz GYRNKMKYKMMGTN-SECBINFHSA-N 2 0 226.324 -0.081 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CC[NH2+]C1 ZINC000627116287 363283520 /nfs/dbraw/zinc/28/35/20/363283520.db2.gz IPZXLLYNCNKFPU-INWMGODYSA-N 2 0 224.308 -0.601 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000627116520 363283444 /nfs/dbraw/zinc/28/34/44/363283444.db2.gz MIIUASKLKYZZJT-UHFFFAOYSA-N 2 0 226.324 -0.271 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000627116856 363282845 /nfs/dbraw/zinc/28/28/45/363282845.db2.gz QKWRQQLOAAWNEO-GWFPEYJASA-N 2 0 238.335 -0.212 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627118416 363285469 /nfs/dbraw/zinc/28/54/69/363285469.db2.gz AGIJUNGNZCTUOG-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627118417 363285374 /nfs/dbraw/zinc/28/53/74/363285374.db2.gz AGIJUNGNZCTUOG-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627118418 363285539 /nfs/dbraw/zinc/28/55/39/363285539.db2.gz AGIJUNGNZCTUOG-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627118419 363285457 /nfs/dbraw/zinc/28/54/57/363285457.db2.gz AGIJUNGNZCTUOG-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627118573 363285333 /nfs/dbraw/zinc/28/53/33/363285333.db2.gz DRLJOVOYBYHKTA-SECBINFHSA-N 2 0 232.328 -0.741 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627118574 363285734 /nfs/dbraw/zinc/28/57/34/363285734.db2.gz DRLJOVOYBYHKTA-VIFPVBQESA-N 2 0 232.328 -0.741 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)C[NH2+]C ZINC000627118575 363285521 /nfs/dbraw/zinc/28/55/21/363285521.db2.gz DTKPAMKNTIXNNC-JTQLQIEISA-N 2 0 246.355 -0.528 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)C[NH2+]C ZINC000627118576 363285253 /nfs/dbraw/zinc/28/52/53/363285253.db2.gz DTKPAMKNTIXNNC-SNVBAGLBSA-N 2 0 246.355 -0.528 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627118672 363286475 /nfs/dbraw/zinc/28/64/75/363286475.db2.gz GYBBEEQKBPUJNO-HRDYMLBCSA-N 2 0 214.313 -0.356 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627118673 363286316 /nfs/dbraw/zinc/28/63/16/363286316.db2.gz GYBBEEQKBPUJNO-XHNCKOQMSA-N 2 0 214.313 -0.356 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@H](C)C[NH2+]C ZINC000627119334 363287610 /nfs/dbraw/zinc/28/76/10/363287610.db2.gz MHEVCOOOYXAMMH-MRVPVSSYSA-N 2 0 202.302 -0.416 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H](C)C[NH2+]C ZINC000627119335 363287883 /nfs/dbraw/zinc/28/78/83/363287883.db2.gz MHEVCOOOYXAMMH-QMMMGPOBSA-N 2 0 202.302 -0.416 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627119374 363288713 /nfs/dbraw/zinc/28/87/13/363288713.db2.gz MYZGTWSQLCERMJ-HTQZYQBOSA-N 2 0 200.286 -0.745 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627119375 363288323 /nfs/dbraw/zinc/28/83/23/363288323.db2.gz MYZGTWSQLCERMJ-JGVFFNPUSA-N 2 0 200.286 -0.745 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627119852 363288678 /nfs/dbraw/zinc/28/86/78/363288678.db2.gz OZQYDRZWJBVMTA-SECBINFHSA-N 2 0 232.328 -0.789 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627119855 363288234 /nfs/dbraw/zinc/28/82/34/363288234.db2.gz OZQYDRZWJBVMTA-VIFPVBQESA-N 2 0 232.328 -0.789 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@H](C)C[NH2+]C ZINC000627120463 363288110 /nfs/dbraw/zinc/28/81/10/363288110.db2.gz RURGPBBBNWWSMP-SECBINFHSA-N 2 0 232.328 -0.871 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000627120464 363288072 /nfs/dbraw/zinc/28/80/72/363288072.db2.gz RURGPBBBNWWSMP-VIFPVBQESA-N 2 0 232.328 -0.871 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627135017 363351532 /nfs/dbraw/zinc/35/15/32/363351532.db2.gz PRWWLEXZHXEFHX-NXEZZACHSA-N 2 0 226.324 -0.177 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627135018 363351291 /nfs/dbraw/zinc/35/12/91/363351291.db2.gz PRWWLEXZHXEFHX-VHSXEESVSA-N 2 0 226.324 -0.177 20 0 BBADRP CN(CC[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627135366 363355114 /nfs/dbraw/zinc/35/51/14/363355114.db2.gz SQFJZOPGMTTYLA-SECBINFHSA-N 2 0 214.313 -0.319 20 0 BBADRP CC(C)(C[NH3+])NC(=O)NCC1([NH3+])CCOCC1 ZINC000627147318 363379751 /nfs/dbraw/zinc/37/97/51/363379751.db2.gz GOLHKFSGNWKOSX-UHFFFAOYSA-N 2 0 244.339 -0.469 20 0 BBADRP [NH3+]C1(CNC(=O)N2CC[NH2+]CC2)CCOCC1 ZINC000627147869 363384157 /nfs/dbraw/zinc/38/41/57/363384157.db2.gz NVUXSMTUXVZUFO-UHFFFAOYSA-N 2 0 242.323 -0.891 20 0 BBADRP C[NH+](C)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627151962 363390654 /nfs/dbraw/zinc/39/06/54/363390654.db2.gz QQJHVJSDPSBNGI-UHFFFAOYSA-N 2 0 244.339 -0.645 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[NH3+] ZINC000627158323 363396200 /nfs/dbraw/zinc/39/62/00/363396200.db2.gz QZGLANRVSBHQID-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+]CC1 ZINC000627159007 363398398 /nfs/dbraw/zinc/39/83/98/363398398.db2.gz KCICJNRQYSVGBS-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627159757 363399637 /nfs/dbraw/zinc/39/96/37/363399637.db2.gz TZYLFHCIYLDPGF-KXUCPTDWSA-N 2 0 226.324 -0.131 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000627159758 363399659 /nfs/dbraw/zinc/39/96/59/363399659.db2.gz TZYLFHCIYLDPGF-LPEHRKFASA-N 2 0 226.324 -0.131 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000627168950 363415623 /nfs/dbraw/zinc/41/56/23/363415623.db2.gz ANCJSFXHFUQXOG-LLVKDONJSA-N 2 0 244.339 -0.726 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000627168951 363415958 /nfs/dbraw/zinc/41/59/58/363415958.db2.gz ANCJSFXHFUQXOG-NSHDSACASA-N 2 0 244.339 -0.726 20 0 BBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627168998 363416078 /nfs/dbraw/zinc/41/60/78/363416078.db2.gz BUTKPRORKZAUBC-VHSXEESVSA-N 2 0 244.339 -0.728 20 0 BBADRP CCN(CC[NH3+])C(=O)NCCOCC[NH2+]C ZINC000627169651 363417180 /nfs/dbraw/zinc/41/71/80/363417180.db2.gz NRBWMCURNHTHNM-UHFFFAOYSA-N 2 0 232.328 -0.787 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000627170664 363416720 /nfs/dbraw/zinc/41/67/20/363416720.db2.gz DZBIQNLNLRRYJK-SNVBAGLBSA-N 2 0 244.339 -0.645 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000627170749 363417350 /nfs/dbraw/zinc/41/73/50/363417350.db2.gz GFFQNYTYPCWQOW-JTQLQIEISA-N 2 0 244.339 -0.774 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000627170752 363416700 /nfs/dbraw/zinc/41/67/00/363416700.db2.gz GFFQNYTYPCWQOW-SNVBAGLBSA-N 2 0 244.339 -0.774 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000627170792 363417337 /nfs/dbraw/zinc/41/73/37/363417337.db2.gz GXNMCKNYSIIAEJ-UWVGGRQHSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]CCOCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000627170802 363417389 /nfs/dbraw/zinc/41/73/89/363417389.db2.gz HBRZEIRNVITGNG-UHFFFAOYSA-N 2 0 246.355 -0.399 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000627170837 363416894 /nfs/dbraw/zinc/41/68/94/363416894.db2.gz ITLITIRTSYZFOE-SNVBAGLBSA-N 2 0 244.339 -0.645 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC(C)(C)CC[NH3+] ZINC000627170972 363420313 /nfs/dbraw/zinc/42/03/13/363420313.db2.gz MQJRGVAJDUXMNU-UHFFFAOYSA-N 2 0 246.355 -0.351 20 0 BBADRP C[NH2+]CCOCCNC(=O)N(C)CCC[NH3+] ZINC000627171077 363420414 /nfs/dbraw/zinc/42/04/14/363420414.db2.gz PXQGGCRABVVZLP-UHFFFAOYSA-N 2 0 232.328 -0.787 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000627171321 363418675 /nfs/dbraw/zinc/41/86/75/363418675.db2.gz BMFQQSYYUZFHSQ-JTQLQIEISA-N 2 0 244.339 -0.774 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000627171322 363418465 /nfs/dbraw/zinc/41/84/65/363418465.db2.gz BMFQQSYYUZFHSQ-SNVBAGLBSA-N 2 0 244.339 -0.774 20 0 BBADRP C[NH2+]CCOCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000627171405 363418473 /nfs/dbraw/zinc/41/84/73/363418473.db2.gz VNXALERBSCXHCP-UHFFFAOYSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]CCOCCNC(=O)NC(C)(C)C[NH3+] ZINC000627171630 363418126 /nfs/dbraw/zinc/41/81/26/363418126.db2.gz FAGBBXBMPGNNMA-UHFFFAOYSA-N 2 0 232.328 -0.741 20 0 BBADRP C[NH2+]CCOCCNC(=O)NCC[C@H](C)[NH3+] ZINC000627171946 363420906 /nfs/dbraw/zinc/42/09/06/363420906.db2.gz MXCKHVNHPGYZPW-VIFPVBQESA-N 2 0 232.328 -0.741 20 0 BBADRP C[NH2+]CCOCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000627172179 363420964 /nfs/dbraw/zinc/42/09/64/363420964.db2.gz UFZJVPABRSRFIG-SECBINFHSA-N 2 0 232.328 -0.789 20 0 BBADRP C[NH2+]CCOCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000627172180 363420935 /nfs/dbraw/zinc/42/09/35/363420935.db2.gz UFZJVPABRSRFIG-VIFPVBQESA-N 2 0 232.328 -0.789 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1CCC[NH2+]CC1 ZINC000627172279 363421578 /nfs/dbraw/zinc/42/15/78/363421578.db2.gz WDRDIKLPYCMKAC-UHFFFAOYSA-N 2 0 244.339 -0.773 20 0 BBADRP C[NH2+]CCOCCNC(=O)NCC[NH+](C)C ZINC000627173542 363422191 /nfs/dbraw/zinc/42/21/91/363422191.db2.gz ANHYGFQVYQTFMU-UHFFFAOYSA-N 2 0 232.328 -0.917 20 0 BBADRP C[NH2+]CCOCCNC(=O)N(C)CC[NH+](C)C ZINC000627174967 363422211 /nfs/dbraw/zinc/42/22/11/363422211.db2.gz NUFYMTPQPJJKRQ-UHFFFAOYSA-N 2 0 246.355 -0.575 20 0 BBADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627186783 363442601 /nfs/dbraw/zinc/44/26/01/363442601.db2.gz SQGGEQKPBPAJHB-JTQLQIEISA-N 2 0 244.339 -0.822 20 0 BBADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627186785 363442645 /nfs/dbraw/zinc/44/26/45/363442645.db2.gz SQGGEQKPBPAJHB-SNVBAGLBSA-N 2 0 244.339 -0.822 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190290 363449420 /nfs/dbraw/zinc/44/94/20/363449420.db2.gz DOKDYXBHJDYWEB-DTWKUNHWSA-N 2 0 230.312 -0.989 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190291 363449486 /nfs/dbraw/zinc/44/94/86/363449486.db2.gz DOKDYXBHJDYWEB-IUCAKERBSA-N 2 0 230.312 -0.989 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627190395 363449542 /nfs/dbraw/zinc/44/95/42/363449542.db2.gz JHHQCHYVKVFDAA-UWVGGRQHSA-N 2 0 242.323 -0.893 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627190396 363449722 /nfs/dbraw/zinc/44/97/22/363449722.db2.gz JHHQCHYVKVFDAA-VHSXEESVSA-N 2 0 242.323 -0.893 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190515 363449400 /nfs/dbraw/zinc/44/94/00/363449400.db2.gz OGELIXPSTQPZOM-SECBINFHSA-N 2 0 244.339 -0.599 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190516 363449583 /nfs/dbraw/zinc/44/95/83/363449583.db2.gz OGELIXPSTQPZOM-VIFPVBQESA-N 2 0 244.339 -0.599 20 0 BBADRP CC(C)(C[NH3+])NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190661 363450253 /nfs/dbraw/zinc/45/02/53/363450253.db2.gz RRTGWKVKASDWNG-MRVPVSSYSA-N 2 0 230.312 -0.989 20 0 BBADRP CC(C)(C[NH3+])NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190662 363450174 /nfs/dbraw/zinc/45/01/74/363450174.db2.gz RRTGWKVKASDWNG-QMMMGPOBSA-N 2 0 230.312 -0.989 20 0 BBADRP C[C@@]1(NC(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000627191309 363450782 /nfs/dbraw/zinc/45/07/82/363450782.db2.gz OHHDHKPXGBHUJV-GXSJLCMTSA-N 2 0 242.323 -0.974 20 0 BBADRP C[C@]1(NC(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000627191310 363450599 /nfs/dbraw/zinc/45/05/99/363450599.db2.gz OHHDHKPXGBHUJV-KOLCDFICSA-N 2 0 242.323 -0.974 20 0 BBADRP C[C@@]1(NC(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000627191311 363451026 /nfs/dbraw/zinc/45/10/26/363451026.db2.gz OHHDHKPXGBHUJV-MWLCHTKSSA-N 2 0 242.323 -0.974 20 0 BBADRP C[C@]1(NC(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000627191312 363450932 /nfs/dbraw/zinc/45/09/32/363450932.db2.gz OHHDHKPXGBHUJV-ONGXEEELSA-N 2 0 242.323 -0.974 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627191530 363451033 /nfs/dbraw/zinc/45/10/33/363451033.db2.gz RZBCOHQLSJBQSE-SECBINFHSA-N 2 0 244.339 -0.647 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627191531 363451095 /nfs/dbraw/zinc/45/10/95/363451095.db2.gz RZBCOHQLSJBQSE-VIFPVBQESA-N 2 0 244.339 -0.647 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627192405 363455001 /nfs/dbraw/zinc/45/50/01/363455001.db2.gz YQHZUBHAMLFBRI-IVZWLZJFSA-N 2 0 242.323 -0.976 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627192406 363455310 /nfs/dbraw/zinc/45/53/10/363455310.db2.gz YQHZUBHAMLFBRI-LPEHRKFASA-N 2 0 242.323 -0.976 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)NCC[NH+](C)C)C[NH2+]1 ZINC000627201156 363498659 /nfs/dbraw/zinc/49/86/59/363498659.db2.gz FMTYDLCZNOZBOO-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)NCC[NH+](C)C)C[NH2+]1 ZINC000627201161 363498720 /nfs/dbraw/zinc/49/87/20/363498720.db2.gz FMTYDLCZNOZBOO-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)NCC[NH+](C)C)C[NH2+]1 ZINC000627201162 363498924 /nfs/dbraw/zinc/49/89/24/363498924.db2.gz FMTYDLCZNOZBOO-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)NCC[NH+](C)C)C[NH2+]1 ZINC000627201163 363498641 /nfs/dbraw/zinc/49/86/41/363498641.db2.gz FMTYDLCZNOZBOO-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000627206386 363503420 /nfs/dbraw/zinc/50/34/20/363503420.db2.gz IUWIMGFZROVGMJ-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000627206389 363502915 /nfs/dbraw/zinc/50/29/15/363502915.db2.gz IUWIMGFZROVGMJ-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000627206390 363503381 /nfs/dbraw/zinc/50/33/81/363503381.db2.gz IUWIMGFZROVGMJ-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000627206392 363503698 /nfs/dbraw/zinc/50/36/98/363503698.db2.gz IUWIMGFZROVGMJ-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627206624 363503431 /nfs/dbraw/zinc/50/34/31/363503431.db2.gz LAQHHERFZGQUHC-AEJSXWLSSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627206625 363502968 /nfs/dbraw/zinc/50/29/68/363502968.db2.gz LAQHHERFZGQUHC-BBBLOLIVSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C[NH2+]1 ZINC000627206626 363503181 /nfs/dbraw/zinc/50/31/81/363503181.db2.gz LAQHHERFZGQUHC-GUBZILKMSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627206627 363503075 /nfs/dbraw/zinc/50/30/75/363503075.db2.gz LAQHHERFZGQUHC-IVZWLZJFSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C[NH2+]1 ZINC000627206628 363502955 /nfs/dbraw/zinc/50/29/55/363502955.db2.gz LAQHHERFZGQUHC-KXUCPTDWSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C[NH2+]1 ZINC000627206629 363503261 /nfs/dbraw/zinc/50/32/61/363503261.db2.gz LAQHHERFZGQUHC-LPEHRKFASA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627206630 363502886 /nfs/dbraw/zinc/50/28/86/363502886.db2.gz LAQHHERFZGQUHC-OPRDCNLKSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C[NH2+]1 ZINC000627206631 363503648 /nfs/dbraw/zinc/50/36/48/363503648.db2.gz LAQHHERFZGQUHC-UTLUCORTSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000627207564 363503541 /nfs/dbraw/zinc/50/35/41/363503541.db2.gz BDGDJFFCHDUZHY-IVZWLZJFSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000627207565 363503097 /nfs/dbraw/zinc/50/30/97/363503097.db2.gz BDGDJFFCHDUZHY-LPEHRKFASA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)N(C)CC[NH3+])C[NH2+]1 ZINC000627210195 363505142 /nfs/dbraw/zinc/50/51/42/363505142.db2.gz NJSCPKOWZSKICK-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)N(C)CC[NH3+])C[NH2+]1 ZINC000627210196 363505688 /nfs/dbraw/zinc/50/56/88/363505688.db2.gz NJSCPKOWZSKICK-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)N(C)CC[NH3+])C[NH2+]1 ZINC000627210197 363505599 /nfs/dbraw/zinc/50/55/99/363505599.db2.gz NJSCPKOWZSKICK-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)N(C)CC[NH3+])C[NH2+]1 ZINC000627210198 363504937 /nfs/dbraw/zinc/50/49/37/363504937.db2.gz NJSCPKOWZSKICK-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP CN(CC[NH+](C)C)C(=O)NCCOCCC[NH3+] ZINC000627214459 363509551 /nfs/dbraw/zinc/50/95/51/363509551.db2.gz NYCQVPBKCRKUKO-UHFFFAOYSA-N 2 0 246.355 -0.445 20 0 BBADRP C[NH+](C)CCNC(=O)NCCOCCC[NH3+] ZINC000627215758 363513007 /nfs/dbraw/zinc/51/30/07/363513007.db2.gz JWQFGMVPABHGSW-UHFFFAOYSA-N 2 0 232.328 -0.787 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)NCCOCCC[NH3+] ZINC000627218630 363517593 /nfs/dbraw/zinc/51/75/93/363517593.db2.gz AYRNIHTVJRJJBK-SECBINFHSA-N 2 0 232.328 -0.660 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)NCCOCCC[NH3+] ZINC000627218631 363517471 /nfs/dbraw/zinc/51/74/71/363517471.db2.gz AYRNIHTVJRJJBK-VIFPVBQESA-N 2 0 232.328 -0.660 20 0 BBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000627218765 363517361 /nfs/dbraw/zinc/51/73/61/363517361.db2.gz GKHLCVAQABJXDA-SNVBAGLBSA-N 2 0 244.339 -0.516 20 0 BBADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])C[C@H]1[NH3+] ZINC000627218827 363516572 /nfs/dbraw/zinc/51/65/72/363516572.db2.gz IUXCEGSOYWNFFG-NXEZZACHSA-N 2 0 244.339 -0.660 20 0 BBADRP CN(C(=O)NCCOCCC[NH3+])C1CC([NH3+])C1 ZINC000627218847 363515776 /nfs/dbraw/zinc/51/57/76/363515776.db2.gz JGKKYEARTUSBPE-UHFFFAOYSA-N 2 0 244.339 -0.517 20 0 BBADRP CC(C)(C[NH3+])NC(=O)NCCOCCC[NH3+] ZINC000627219016 363515912 /nfs/dbraw/zinc/51/59/12/363515912.db2.gz LMOHHMPXKUKEHW-UHFFFAOYSA-N 2 0 232.328 -0.612 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219046 363515837 /nfs/dbraw/zinc/51/58/37/363515837.db2.gz MWVPHDMFDLRNMW-JTQLQIEISA-N 2 0 244.339 -0.645 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219047 363515586 /nfs/dbraw/zinc/51/55/86/363515586.db2.gz MWVPHDMFDLRNMW-SNVBAGLBSA-N 2 0 244.339 -0.645 20 0 BBADRP C[C@@]1(NC(=O)NCCOCCC[NH3+])CC[NH2+]C1 ZINC000627219050 363515655 /nfs/dbraw/zinc/51/56/55/363515655.db2.gz NBQZYMAFGURQRW-LLVKDONJSA-N 2 0 244.339 -0.597 20 0 BBADRP C[C@]1(NC(=O)NCCOCCC[NH3+])CC[NH2+]C1 ZINC000627219051 363516205 /nfs/dbraw/zinc/51/62/05/363516205.db2.gz NBQZYMAFGURQRW-NSHDSACASA-N 2 0 244.339 -0.597 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)NCCOCCC[NH3+] ZINC000627219054 363515764 /nfs/dbraw/zinc/51/57/64/363515764.db2.gz NDMSNIMAHDJNML-UHFFFAOYSA-N 2 0 246.355 -0.270 20 0 BBADRP C[C@H]1CN(C(=O)NCCOCCC[NH3+])CC[NH2+]1 ZINC000627219057 363516112 /nfs/dbraw/zinc/51/61/12/363516112.db2.gz NGSAWUIKGIDMHJ-JTQLQIEISA-N 2 0 244.339 -0.645 20 0 BBADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[NH2+]1 ZINC000627219058 363516552 /nfs/dbraw/zinc/51/65/52/363516552.db2.gz NGSAWUIKGIDMHJ-SNVBAGLBSA-N 2 0 244.339 -0.645 20 0 BBADRP CN(CCC[NH3+])C(=O)NCCOCCC[NH3+] ZINC000627219095 363515906 /nfs/dbraw/zinc/51/59/06/363515906.db2.gz PITLRZIHWUXYRO-UHFFFAOYSA-N 2 0 232.328 -0.658 20 0 BBADRP [NH3+]CCCOCCNC(=O)N1CCC[NH2+]CC1 ZINC000627219156 363516503 /nfs/dbraw/zinc/51/65/03/363516503.db2.gz QTODKXGRTUROLC-UHFFFAOYSA-N 2 0 244.339 -0.643 20 0 BBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000627219253 363517454 /nfs/dbraw/zinc/51/74/54/363517454.db2.gz TVALTSJDEZPZQY-SNVBAGLBSA-N 2 0 244.339 -0.516 20 0 BBADRP [NH3+]CCCOCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627219408 363517048 /nfs/dbraw/zinc/51/70/48/363517048.db2.gz VRGQOBRTCJDDAZ-SECBINFHSA-N 2 0 230.312 -0.906 20 0 BBADRP [NH3+]CCCOCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627219409 363517657 /nfs/dbraw/zinc/51/76/57/363517657.db2.gz VRGQOBRTCJDDAZ-VIFPVBQESA-N 2 0 230.312 -0.906 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCCOCCC[NH3+] ZINC000627219433 363516132 /nfs/dbraw/zinc/51/61/32/363516132.db2.gz WPUXJPPOHRASTI-VIFPVBQESA-N 2 0 232.328 -0.612 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCOCCC[NH3+] ZINC000627219487 363519262 /nfs/dbraw/zinc/51/92/62/363519262.db2.gz XSWPPYQPZBVYIM-UWVGGRQHSA-N 2 0 244.339 -0.517 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)NCCOCCC[NH3+] ZINC000627219608 363519307 /nfs/dbraw/zinc/51/93/07/363519307.db2.gz YWDRYLHMQMYYHQ-UHFFFAOYSA-N 2 0 246.355 -0.222 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627219893 363517084 /nfs/dbraw/zinc/51/70/84/363517084.db2.gz HAMQGSXSBLJLKO-VHSXEESVSA-N 2 0 244.339 -0.599 20 0 BBADRP CCN(CC[NH3+])C(=O)NCCOCCC[NH3+] ZINC000627220405 363517837 /nfs/dbraw/zinc/51/78/37/363517837.db2.gz QQNSNXABLNYLHU-UHFFFAOYSA-N 2 0 232.328 -0.658 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000627226705 363555533 /nfs/dbraw/zinc/55/55/33/363555533.db2.gz PRWWLEXZHXEFHX-UWVGGRQHSA-N 2 0 226.324 -0.177 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627226706 363555210 /nfs/dbraw/zinc/55/52/10/363555210.db2.gz PRWWLEXZHXEFHX-ZJUUUORDSA-N 2 0 226.324 -0.177 20 0 BBADRP CN(CC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627226846 363555316 /nfs/dbraw/zinc/55/53/16/363555316.db2.gz SQFJZOPGMTTYLA-VIFPVBQESA-N 2 0 214.313 -0.319 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[NH+](C)C ZINC000627240437 363810969 /nfs/dbraw/zinc/81/09/69/363810969.db2.gz QKBZGCLNMYKIRA-VHSXEESVSA-N 2 0 228.340 -0.060 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH+](C)C ZINC000627241701 363831380 /nfs/dbraw/zinc/83/13/80/363831380.db2.gz JPYUJGOFBPTIDH-DTWKUNHWSA-N 2 0 214.313 -0.402 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627244559 363848331 /nfs/dbraw/zinc/84/83/31/363848331.db2.gz CVMGMIPHFYACKO-IVZWLZJFSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627244560 363848495 /nfs/dbraw/zinc/84/84/95/363848495.db2.gz CVMGMIPHFYACKO-LPEHRKFASA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627244565 363848282 /nfs/dbraw/zinc/84/82/82/363848282.db2.gz DEJBXWDEAQQNCD-IVZWLZJFSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627244566 363848286 /nfs/dbraw/zinc/84/82/86/363848286.db2.gz DEJBXWDEAQQNCD-LPEHRKFASA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)C[NH3+] ZINC000627244600 363848551 /nfs/dbraw/zinc/84/85/51/363848551.db2.gz DMSYLIIDJOHNEY-JGVFFNPUSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000627244745 363848278 /nfs/dbraw/zinc/84/82/78/363848278.db2.gz GVVDEEHEBPOYRC-IVZWLZJFSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000627244747 363848311 /nfs/dbraw/zinc/84/83/11/363848311.db2.gz GVVDEEHEBPOYRC-LPEHRKFASA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244774 363848438 /nfs/dbraw/zinc/84/84/38/363848438.db2.gz HKLREVYGCSRICH-HRDYMLBCSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244775 363848409 /nfs/dbraw/zinc/84/84/09/363848409.db2.gz HKLREVYGCSRICH-XHNCKOQMSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000627244798 363848353 /nfs/dbraw/zinc/84/83/53/363848353.db2.gz IPPOFFPBBPFTBN-KXUCPTDWSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000627244799 363848363 /nfs/dbraw/zinc/84/83/63/363848363.db2.gz IPPOFFPBBPFTBN-LPEHRKFASA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+]CC1 ZINC000627245124 363850724 /nfs/dbraw/zinc/85/07/24/363850724.db2.gz LIRFFRJKSDPXEU-DTWKUNHWSA-N 2 0 212.297 -0.648 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000627245149 363850932 /nfs/dbraw/zinc/85/09/32/363850932.db2.gz AYMAVWQVPZIQSQ-IQJOONFLSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000627245150 363850956 /nfs/dbraw/zinc/85/09/56/363850956.db2.gz AYMAVWQVPZIQSQ-NGZCFLSTSA-N 2 0 226.324 -0.212 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[NH3+] ZINC000627245185 363850741 /nfs/dbraw/zinc/85/07/41/363850741.db2.gz MFRQAVYBHIMBML-JGVFFNPUSA-N 2 0 200.286 -0.663 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCC[NH3+] ZINC000627245225 363850907 /nfs/dbraw/zinc/85/09/07/363850907.db2.gz NIVURRZDRGTPNW-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([NH3+])CC1 ZINC000627245244 363850697 /nfs/dbraw/zinc/85/06/97/363850697.db2.gz NUGMNWMBURHNSD-WCBMZHEXSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000627245571 363849201 /nfs/dbraw/zinc/84/92/01/363849201.db2.gz PXZNWBHEXKPEAK-IVZWLZJFSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000627245838 363849356 /nfs/dbraw/zinc/84/93/56/363849356.db2.gz SNIWXRAGEIRSTA-UKKRHICBSA-N 2 0 238.335 -0.402 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000627245915 363849222 /nfs/dbraw/zinc/84/92/22/363849222.db2.gz VNOZMILLVGPNEQ-DJLDLDEBSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000627245916 363849482 /nfs/dbraw/zinc/84/94/82/363849482.db2.gz VNOZMILLVGPNEQ-XHNCKOQMSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000627245920 363849512 /nfs/dbraw/zinc/84/95/12/363849512.db2.gz VPPUSKULHNDEBD-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627245941 363849282 /nfs/dbraw/zinc/84/92/82/363849282.db2.gz WBPPDGNBLPJPBI-XHNCKOQMSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627246099 363849554 /nfs/dbraw/zinc/84/95/54/363849554.db2.gz JYCARDSMMWBWHK-VHSXEESVSA-N 2 0 244.339 -0.647 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000627246158 363849255 /nfs/dbraw/zinc/84/92/55/363849255.db2.gz XKHHPALPXQRKIP-GWFPEYJASA-N 2 0 238.335 -0.131 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627246159 363849299 /nfs/dbraw/zinc/84/92/99/363849299.db2.gz XNUVHWWBDSGQDV-IVZWLZJFSA-N 2 0 226.324 -0.260 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627246160 363849400 /nfs/dbraw/zinc/84/94/00/363849400.db2.gz XNUVHWWBDSGQDV-LPEHRKFASA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000627246168 363849879 /nfs/dbraw/zinc/84/98/79/363849879.db2.gz XWCICCZXUNTJPK-AATLWQCWSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000627246177 363850054 /nfs/dbraw/zinc/85/00/54/363850054.db2.gz YDDDLBQRUIXLBN-AUXWQGHOSA-N 2 0 226.324 -0.132 20 0 BBADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627246415 363849635 /nfs/dbraw/zinc/84/96/35/363849635.db2.gz LVDQAZCJTPJYHG-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627246943 363849667 /nfs/dbraw/zinc/84/96/67/363849667.db2.gz SXDGKZXTHTWJNF-AXTSPUMRSA-N 2 0 226.324 -0.214 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000627247056 363850263 /nfs/dbraw/zinc/85/02/63/363850263.db2.gz WWTUGQWKDWOAMQ-SGIHWFKDSA-N 2 0 244.314 -0.183 20 0 BBADRP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249745 363862669 /nfs/dbraw/zinc/86/26/69/363862669.db2.gz CIGKMKKXAJEMLY-SNVBAGLBSA-N 2 0 228.340 -0.059 20 0 BBADRP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627249831 363863995 /nfs/dbraw/zinc/86/39/95/363863995.db2.gz HVIFBVDUFFVBNQ-LLVKDONJSA-N 2 0 238.335 -0.091 20 0 BBADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627250332 363867043 /nfs/dbraw/zinc/86/70/43/363867043.db2.gz HXPLNVVFDKDQPA-GHMZBOCLSA-N 2 0 240.351 -0.059 20 0 BBADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627250333 363866880 /nfs/dbraw/zinc/86/68/80/363866880.db2.gz HXPLNVVFDKDQPA-WDEREUQCSA-N 2 0 240.351 -0.059 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000627250766 363870775 /nfs/dbraw/zinc/87/07/75/363870775.db2.gz DXYSXNPCPLRAMI-SNVBAGLBSA-N 2 0 238.335 -0.162 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000627251791 363877105 /nfs/dbraw/zinc/87/71/05/363877105.db2.gz AJHSPDGWFCOQBE-AXFHLTTASA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000627251792 363877285 /nfs/dbraw/zinc/87/72/85/363877285.db2.gz AJHSPDGWFCOQBE-GMTAPVOTSA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000627251793 363877096 /nfs/dbraw/zinc/87/70/96/363877096.db2.gz AJHSPDGWFCOQBE-HBNTYKKESA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000627251794 363877100 /nfs/dbraw/zinc/87/71/00/363877100.db2.gz AJHSPDGWFCOQBE-MXWKQRLJSA-N 2 0 238.335 -0.258 20 0 BBADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000627251814 363877116 /nfs/dbraw/zinc/87/71/16/363877116.db2.gz ASIJOYZLWXROJY-AEJSXWLSSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000627251815 363877190 /nfs/dbraw/zinc/87/71/90/363877190.db2.gz ASIJOYZLWXROJY-BBBLOLIVSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000627251816 363877082 /nfs/dbraw/zinc/87/70/82/363877082.db2.gz ASIJOYZLWXROJY-IVZWLZJFSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000627251817 363877279 /nfs/dbraw/zinc/87/72/79/363877279.db2.gz ASIJOYZLWXROJY-OPRDCNLKSA-N 2 0 226.324 -0.273 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627251833 363877201 /nfs/dbraw/zinc/87/72/01/363877201.db2.gz BHFICFQCUGIBQJ-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627251834 363877127 /nfs/dbraw/zinc/87/71/27/363877127.db2.gz BHFICFQCUGIBQJ-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251858 363877114 /nfs/dbraw/zinc/87/71/14/363877114.db2.gz CBPZZUJODIUIBZ-SECBINFHSA-N 2 0 228.340 -0.025 20 0 BBADRP CN(C(=O)N[C@@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000627251879 363877112 /nfs/dbraw/zinc/87/71/12/363877112.db2.gz DKEKNCZYMLKLDN-QJAFJHJLSA-N 2 0 212.297 -0.521 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627251913 363877099 /nfs/dbraw/zinc/87/70/99/363877099.db2.gz FOJGVBDTJYNSTJ-MXWKQRLJSA-N 2 0 238.335 -0.116 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000627251951 363877179 /nfs/dbraw/zinc/87/71/79/363877179.db2.gz GNILHDKNTVWRPQ-AEJSXWLSSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000627251952 363877227 /nfs/dbraw/zinc/87/72/27/363877227.db2.gz GNILHDKNTVWRPQ-BBBLOLIVSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000627251953 363877081 /nfs/dbraw/zinc/87/70/81/363877081.db2.gz GNILHDKNTVWRPQ-IVZWLZJFSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000627251954 363877074 /nfs/dbraw/zinc/87/70/74/363877074.db2.gz GNILHDKNTVWRPQ-OPRDCNLKSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000627251985 363876357 /nfs/dbraw/zinc/87/63/57/363876357.db2.gz HUKPDQHQDNCZDQ-DTWKUNHWSA-N 2 0 212.297 -0.648 20 0 BBADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000627251986 363876428 /nfs/dbraw/zinc/87/64/28/363876428.db2.gz HUKPDQHQDNCZDQ-RKDXNWHRSA-N 2 0 212.297 -0.648 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627252007 363876469 /nfs/dbraw/zinc/87/64/69/363876469.db2.gz IJKOZYBKACOJDS-MXWKQRLJSA-N 2 0 238.335 -0.116 20 0 BBADRP C[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000627252008 363876164 /nfs/dbraw/zinc/87/61/64/363876164.db2.gz IJRDSQCYDLJZTN-GARJFASQSA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000627252009 363876409 /nfs/dbraw/zinc/87/64/09/363876409.db2.gz IJRDSQCYDLJZTN-HBNTYKKESA-N 2 0 240.351 -0.025 20 0 BBADRP [NH3+]CC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627252023 363876316 /nfs/dbraw/zinc/87/63/16/363876316.db2.gz ITQGHSDAFYUZEI-SNVBAGLBSA-N 2 0 226.324 -0.271 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000627252025 363876211 /nfs/dbraw/zinc/87/62/11/363876211.db2.gz IXWZZAROEWGVTQ-MXWKQRLJSA-N 2 0 238.335 -0.306 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627252042 363876290 /nfs/dbraw/zinc/87/62/90/363876290.db2.gz JMVDKKLFTULMIL-KOLCDFICSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627252043 363876486 /nfs/dbraw/zinc/87/64/86/363876486.db2.gz JMVDKKLFTULMIL-MWLCHTKSSA-N 2 0 238.335 -0.116 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252088 363877206 /nfs/dbraw/zinc/87/72/06/363877206.db2.gz KGDFJBKKJVDINA-JGVFFNPUSA-N 2 0 200.286 -0.615 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252105 363877097 /nfs/dbraw/zinc/87/70/97/363877097.db2.gz KZXPBTVUAARXKX-MRVPVSSYSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252140 363878101 /nfs/dbraw/zinc/87/81/01/363878101.db2.gz LZCYWTHNBJRXEE-HTQZYQBOSA-N 2 0 200.286 -0.663 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252141 363878193 /nfs/dbraw/zinc/87/81/93/363878193.db2.gz LZCYWTHNBJRXEE-JGVFFNPUSA-N 2 0 200.286 -0.663 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252152 363878062 /nfs/dbraw/zinc/87/80/62/363878062.db2.gz MPCJKZRYNULOEZ-KOLCDFICSA-N 2 0 226.324 -0.271 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252153 363878246 /nfs/dbraw/zinc/87/82/46/363878246.db2.gz MPCJKZRYNULOEZ-MWLCHTKSSA-N 2 0 226.324 -0.271 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000627252183 363877091 /nfs/dbraw/zinc/87/70/91/363877091.db2.gz NJKKZLMDSHTPKK-AXFHLTTASA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000627252184 363877253 /nfs/dbraw/zinc/87/72/53/363877253.db2.gz NJKKZLMDSHTPKK-GMTAPVOTSA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000627252185 363877175 /nfs/dbraw/zinc/87/71/75/363877175.db2.gz NJKKZLMDSHTPKK-HBNTYKKESA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000627252186 363877300 /nfs/dbraw/zinc/87/73/00/363877300.db2.gz NJKKZLMDSHTPKK-MXWKQRLJSA-N 2 0 238.335 -0.258 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252215 363877079 /nfs/dbraw/zinc/87/70/79/363877079.db2.gz OBWVTBPIXXUXBM-RKDXNWHRSA-N 2 0 212.297 -0.519 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252247 363877149 /nfs/dbraw/zinc/87/71/49/363877149.db2.gz ORHCBBCUPFKQRI-RKDXNWHRSA-N 2 0 212.297 -0.519 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252252 363877117 /nfs/dbraw/zinc/87/71/17/363877117.db2.gz OVAGZZBJJUVGSX-IVZWLZJFSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252253 363877182 /nfs/dbraw/zinc/87/71/82/363877182.db2.gz OVAGZZBJJUVGSX-KXUCPTDWSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252254 363877092 /nfs/dbraw/zinc/87/70/92/363877092.db2.gz OVAGZZBJJUVGSX-LPEHRKFASA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252255 363877115 /nfs/dbraw/zinc/87/71/15/363877115.db2.gz OVAGZZBJJUVGSX-OPRDCNLKSA-N 2 0 226.324 -0.273 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000627252269 363878212 /nfs/dbraw/zinc/87/82/12/363878212.db2.gz PCMJCCUHGSSOCX-SECBINFHSA-N 2 0 212.297 -0.647 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252270 363878141 /nfs/dbraw/zinc/87/81/41/363878141.db2.gz PDMXFGPBXKLQSY-IVZWLZJFSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000627252271 363878220 /nfs/dbraw/zinc/87/82/20/363878220.db2.gz PDMXFGPBXKLQSY-LPEHRKFASA-N 2 0 226.324 -0.260 20 0 BBADRP CN(C(=O)N[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000627252291 363878199 /nfs/dbraw/zinc/87/81/99/363878199.db2.gz PRONMWVRMOFPEQ-SECBINFHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252309 363878120 /nfs/dbraw/zinc/87/81/20/363878120.db2.gz QASYZXBPNGHHNC-YIZRAAEISA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252328 363878134 /nfs/dbraw/zinc/87/81/34/363878134.db2.gz QQSDIKFYIHIUKK-IVZWLZJFSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252329 363878151 /nfs/dbraw/zinc/87/81/51/363878151.db2.gz QQSDIKFYIHIUKK-KXUCPTDWSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252330 363878177 /nfs/dbraw/zinc/87/81/77/363878177.db2.gz QQSDIKFYIHIUKK-LPEHRKFASA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252331 363878207 /nfs/dbraw/zinc/87/82/07/363878207.db2.gz QQSDIKFYIHIUKK-OPRDCNLKSA-N 2 0 226.324 -0.273 20 0 BBADRP CC1([NH3+])CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627252363 363878188 /nfs/dbraw/zinc/87/81/88/363878188.db2.gz RMJAEGYDXTYZIE-SECBINFHSA-N 2 0 226.324 -0.129 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252387 363878580 /nfs/dbraw/zinc/87/85/80/363878580.db2.gz SMZFWCFXXNBMCW-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252388 363878708 /nfs/dbraw/zinc/87/87/08/363878708.db2.gz SMZFWCFXXNBMCW-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP CN(CCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252400 363878435 /nfs/dbraw/zinc/87/84/35/363878435.db2.gz SRWBOZNOXBRFRX-MRVPVSSYSA-N 2 0 200.286 -0.662 20 0 BBADRP CC1(NC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000627252405 363878638 /nfs/dbraw/zinc/87/86/38/363878638.db2.gz TWMBUQDHCSJVLO-SECBINFHSA-N 2 0 226.324 -0.210 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCCO1 ZINC000627252425 363879088 /nfs/dbraw/zinc/87/90/88/363879088.db2.gz UPQZHBCILCKTSL-NXEZZACHSA-N 2 0 242.323 -0.893 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCCO1 ZINC000627252426 363878766 /nfs/dbraw/zinc/87/87/66/363878766.db2.gz UPQZHBCILCKTSL-ZJUUUORDSA-N 2 0 242.323 -0.893 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000627252510 363878590 /nfs/dbraw/zinc/87/85/90/363878590.db2.gz WYZSKWHBYCPQEU-KXUCPTDWSA-N 2 0 224.308 -0.791 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252534 363879077 /nfs/dbraw/zinc/87/90/77/363879077.db2.gz XZPGYYPGKPEKJJ-BDAKNGLRSA-N 2 0 212.297 -0.648 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252535 363879060 /nfs/dbraw/zinc/87/90/60/363879060.db2.gz XZPGYYPGKPEKJJ-RKDXNWHRSA-N 2 0 212.297 -0.648 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627252538 363878525 /nfs/dbraw/zinc/87/85/25/363878525.db2.gz YDXQPYXZTBSYCK-PWSUYJOCSA-N 2 0 238.335 -0.257 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627252539 363878699 /nfs/dbraw/zinc/87/86/99/363878699.db2.gz YDXQPYXZTBSYCK-ZYHUDNBSSA-N 2 0 238.335 -0.257 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252555 363878353 /nfs/dbraw/zinc/87/83/53/363878353.db2.gz YTWDEZMKOMFPIH-GHMZBOCLSA-N 2 0 240.351 -0.011 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252556 363878337 /nfs/dbraw/zinc/87/83/37/363878337.db2.gz YTWDEZMKOMFPIH-WDEREUQCSA-N 2 0 240.351 -0.011 20 0 BBADRP CC(C)(C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252599 363878741 /nfs/dbraw/zinc/87/87/41/363878741.db2.gz ZZTMOOALZMQQRQ-SSDOTTSWSA-N 2 0 200.286 -0.615 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627252604 363879591 /nfs/dbraw/zinc/87/95/91/363879591.db2.gz AJRUEWKQNOYICX-MRVPVSSYSA-N 2 0 214.313 -0.273 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000627253085 363880473 /nfs/dbraw/zinc/88/04/73/363880473.db2.gz PLKVZQHLDNFGBT-IWSPIJDZSA-N 2 0 230.287 -0.571 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627253164 363880842 /nfs/dbraw/zinc/88/08/42/363880842.db2.gz RIWQFTRLZLQPHJ-INWMGODYSA-N 2 0 224.308 -0.519 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627649540 371808320 /nfs/dbraw/zinc/80/83/20/371808320.db2.gz AGSLMBJWUMGKGD-JZYVYDRUSA-N 2 0 211.309 -0.434 20 0 BBADRP C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[NH+](C)C ZINC000627651760 371810599 /nfs/dbraw/zinc/81/05/99/371810599.db2.gz CKLLOOJDMBADNV-UKKRHICBSA-N 2 0 225.336 -0.045 20 0 BBADRP OCC[NH+](CCO)[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000628369605 355875938 /nfs/dbraw/zinc/87/59/38/355875938.db2.gz LHLUWJORJGLNHT-NEPJUHHUSA-N 2 0 228.336 -0.100 20 0 BBADRP OCC[NH+](CCO)[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000628369606 355875681 /nfs/dbraw/zinc/87/56/81/355875681.db2.gz LHLUWJORJGLNHT-NWDGAFQWSA-N 2 0 228.336 -0.100 20 0 BBADRP OCC[NH+](CCO)[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000628369607 355876058 /nfs/dbraw/zinc/87/60/58/355876058.db2.gz LHLUWJORJGLNHT-RYUDHWBXSA-N 2 0 228.336 -0.100 20 0 BBADRP OCC[NH+](CCO)[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000628369608 355875851 /nfs/dbraw/zinc/87/58/51/355875851.db2.gz LHLUWJORJGLNHT-VXGBXAGGSA-N 2 0 228.336 -0.100 20 0 BBADRP CCN1CCC([NH+](CCO)CCO)CC1 ZINC000628369934 355878199 /nfs/dbraw/zinc/87/81/99/355878199.db2.gz LCAFJDDRJWZVIY-UHFFFAOYSA-N 2 0 216.325 -0.243 20 0 BBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629166834 360916526 /nfs/dbraw/zinc/91/65/26/360916526.db2.gz DBKUUNFEQPHCQP-GHMZBOCLSA-N 2 0 241.335 -0.879 20 0 BBADRP C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629172237 360921686 /nfs/dbraw/zinc/92/16/86/360921686.db2.gz BMMWUBOIVLEFDW-VHSXEESVSA-N 2 0 229.324 -0.881 20 0 BBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629173090 360922139 /nfs/dbraw/zinc/92/21/39/360922139.db2.gz CGOCEGBMMYIXBM-GHMZBOCLSA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629173091 360921330 /nfs/dbraw/zinc/92/13/30/360921330.db2.gz CGOCEGBMMYIXBM-MNOVXSKESA-N 2 0 241.335 -0.737 20 0 BBADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629173505 360921349 /nfs/dbraw/zinc/92/13/49/360921349.db2.gz HOLUFWSWNUIOCA-LLVKDONJSA-N 2 0 243.351 -0.489 20 0 BBADRP CC[NH+](CC)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629174308 360923155 /nfs/dbraw/zinc/92/31/55/360923155.db2.gz NORGZEYJMOIQLB-LLVKDONJSA-N 2 0 243.351 -0.489 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000629174755 360920509 /nfs/dbraw/zinc/92/05/09/360920509.db2.gz HGDBPXOZOTULBA-LLVKDONJSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629174786 360920230 /nfs/dbraw/zinc/92/02/30/360920230.db2.gz XKKYLUMVXWTQKO-GHMZBOCLSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000629174788 360920252 /nfs/dbraw/zinc/92/02/52/360920252.db2.gz XKKYLUMVXWTQKO-MNOVXSKESA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000629391818 361041198 /nfs/dbraw/zinc/04/11/98/361041198.db2.gz FHSFQBRTBLXSLX-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H](C)CC(=O)N(C)C ZINC000629391823 361041318 /nfs/dbraw/zinc/04/13/18/361041318.db2.gz FHSFQBRTBLXSLX-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000629392176 361041431 /nfs/dbraw/zinc/04/14/31/361041431.db2.gz JQCSNXBSTUAZPV-NXEZZACHSA-N 2 0 202.298 -0.011 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H]1CCO[C@H]1C ZINC000629392177 361040979 /nfs/dbraw/zinc/04/09/79/361040979.db2.gz JQCSNXBSTUAZPV-UWVGGRQHSA-N 2 0 202.298 -0.011 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCO[C@H]1C ZINC000629392178 361041112 /nfs/dbraw/zinc/04/11/12/361041112.db2.gz JQCSNXBSTUAZPV-VHSXEESVSA-N 2 0 202.298 -0.011 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H]1CCO[C@@H]1C ZINC000629392179 361041227 /nfs/dbraw/zinc/04/12/27/361041227.db2.gz JQCSNXBSTUAZPV-ZJUUUORDSA-N 2 0 202.298 -0.011 20 0 BBADRP C[NH2+]CCOCC[NH2+]C1CCOCC1 ZINC000629392354 361041099 /nfs/dbraw/zinc/04/10/99/361041099.db2.gz LOBVHPPRNWNLLH-UHFFFAOYSA-N 2 0 202.298 -0.009 20 0 BBADRP C[NH2+]CCOCC[NH2+]C1CCN(C)CC1 ZINC000629392537 361041322 /nfs/dbraw/zinc/04/13/22/361041322.db2.gz QTPGOHHXKYOVKK-UHFFFAOYSA-N 2 0 215.341 -0.094 20 0 BBADRP Cn1cc(C[NH2+]CCOCCC[NH3+])cn1 ZINC000629398116 361047825 /nfs/dbraw/zinc/04/78/25/361047825.db2.gz MSLZKTMDASKCHG-UHFFFAOYSA-N 2 0 212.297 -0.125 20 0 BBADRP C[C@@H](CC(=O)N(C)C)[NH2+]CCOCCC[NH3+] ZINC000629398144 361048911 /nfs/dbraw/zinc/04/89/11/361048911.db2.gz NGAIJSNQDDHWBN-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP C[C@H](CC(=O)N(C)C)[NH2+]CCOCCC[NH3+] ZINC000629398145 361049068 /nfs/dbraw/zinc/04/90/68/361049068.db2.gz NGAIJSNQDDHWBN-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP Cn1nccc1C[NH2+]CCOCCC[NH3+] ZINC000629399189 361046771 /nfs/dbraw/zinc/04/67/71/361046771.db2.gz NWEXDTAKKOTNFH-UHFFFAOYSA-N 2 0 212.297 -0.125 20 0 BBADRP Cn1ccnc1C[NH2+]CCOCCC[NH3+] ZINC000629399838 361050907 /nfs/dbraw/zinc/05/09/07/361050907.db2.gz XATHCYCZPDIMGP-UHFFFAOYSA-N 2 0 212.297 -0.125 20 0 BBADRP Cn1ccc(C[NH2+]CCOCCC[NH3+])n1 ZINC000629400303 361050885 /nfs/dbraw/zinc/05/08/85/361050885.db2.gz TVUKKAQVHLSNDC-UHFFFAOYSA-N 2 0 212.297 -0.125 20 0 BBADRP NC(=O)C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629504727 361099917 /nfs/dbraw/zinc/09/99/17/361099917.db2.gz APXMWUOUWFGNEM-LLVKDONJSA-N 2 0 241.335 -0.438 20 0 BBADRP NC(=O)C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629504728 361099892 /nfs/dbraw/zinc/09/98/92/361099892.db2.gz APXMWUOUWFGNEM-NSHDSACASA-N 2 0 241.335 -0.438 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)C1=O ZINC000629518391 361117782 /nfs/dbraw/zinc/11/77/82/361117782.db2.gz IOHOLJJCLJBNPT-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)C1=O ZINC000629518392 361117765 /nfs/dbraw/zinc/11/77/65/361117765.db2.gz IOHOLJJCLJBNPT-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)C1=O ZINC000629518393 361118186 /nfs/dbraw/zinc/11/81/86/361118186.db2.gz IOHOLJJCLJBNPT-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)C1=O ZINC000629518394 361117679 /nfs/dbraw/zinc/11/76/79/361117679.db2.gz IOHOLJJCLJBNPT-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629524140 361121721 /nfs/dbraw/zinc/12/17/21/361121721.db2.gz MJAJANNAKXXNTG-GUBZILKMSA-N 2 0 229.324 -0.406 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629524141 361122237 /nfs/dbraw/zinc/12/22/37/361122237.db2.gz MJAJANNAKXXNTG-OPRDCNLKSA-N 2 0 229.324 -0.406 20 0 BBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000629525184 361126017 /nfs/dbraw/zinc/12/60/17/361126017.db2.gz YOPWQGKNPUELGY-AATLWQCWSA-N 2 0 211.309 -0.033 20 0 BBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000629525192 361126186 /nfs/dbraw/zinc/12/61/86/361126186.db2.gz YOPWQGKNPUELGY-KYXWUPHJSA-N 2 0 211.309 -0.033 20 0 BBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000629525193 361125481 /nfs/dbraw/zinc/12/54/81/361125481.db2.gz YOPWQGKNPUELGY-XKNYDFJKSA-N 2 0 211.309 -0.033 20 0 BBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000629525194 361125742 /nfs/dbraw/zinc/12/57/42/361125742.db2.gz YOPWQGKNPUELGY-ZYUZMQFOSA-N 2 0 211.309 -0.033 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000629528713 361137447 /nfs/dbraw/zinc/13/74/47/361137447.db2.gz HLKLQBLQOJBGDH-GHMZBOCLSA-N 2 0 215.341 -0.238 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000629528714 361136644 /nfs/dbraw/zinc/13/66/44/361136644.db2.gz HLKLQBLQOJBGDH-MNOVXSKESA-N 2 0 215.341 -0.238 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000629528715 361138081 /nfs/dbraw/zinc/13/80/81/361138081.db2.gz HLKLQBLQOJBGDH-QWRGUYRKSA-N 2 0 215.341 -0.238 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000629528716 361138695 /nfs/dbraw/zinc/13/86/95/361138695.db2.gz HLKLQBLQOJBGDH-WDEREUQCSA-N 2 0 215.341 -0.238 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H](C)CC(N)=O ZINC000629528915 361138641 /nfs/dbraw/zinc/13/86/41/361138641.db2.gz MYGBJKDHPNRMLW-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H](C)CC(N)=O ZINC000629528916 361138746 /nfs/dbraw/zinc/13/87/46/361138746.db2.gz MYGBJKDHPNRMLW-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP CC[C@H](Cn1cncn1)[NH2+]CCOCC[NH2+]C ZINC000629530900 361145820 /nfs/dbraw/zinc/14/58/20/361145820.db2.gz UVNQWJQFHSDPJW-LLVKDONJSA-N 2 0 241.339 -0.118 20 0 BBADRP CC[C@@H](Cn1cncn1)[NH2+]CCOCC[NH2+]C ZINC000629530901 361145875 /nfs/dbraw/zinc/14/58/75/361145875.db2.gz UVNQWJQFHSDPJW-NSHDSACASA-N 2 0 241.339 -0.118 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000629530918 361145655 /nfs/dbraw/zinc/14/56/55/361145655.db2.gz VDOVNQYIHDRJFC-JTQLQIEISA-N 2 0 243.351 -0.131 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000629530919 361145855 /nfs/dbraw/zinc/14/58/55/361145855.db2.gz VDOVNQYIHDRJFC-SNVBAGLBSA-N 2 0 243.351 -0.131 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000629531156 538107726 /nfs/dbraw/zinc/10/77/26/538107726.db2.gz BQARINJEHIMKFR-GHMZBOCLSA-N 3 0 215.341 -0.061 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000629531157 538107788 /nfs/dbraw/zinc/10/77/88/538107788.db2.gz BQARINJEHIMKFR-MNOVXSKESA-N 3 0 215.341 -0.061 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000629531158 538107652 /nfs/dbraw/zinc/10/76/52/538107652.db2.gz BQARINJEHIMKFR-QWRGUYRKSA-N 3 0 215.341 -0.061 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000629531159 538107795 /nfs/dbraw/zinc/10/77/95/538107795.db2.gz BQARINJEHIMKFR-WDEREUQCSA-N 3 0 215.341 -0.061 20 0 BBADRP C[NH2+]CCOCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000629531248 491078283 /nfs/dbraw/zinc/07/82/83/491078283.db2.gz FULCAFRZNGCAJS-GHMZBOCLSA-N 2 0 215.341 -0.190 20 0 BBADRP C[NH2+]CCOCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000629531249 491078299 /nfs/dbraw/zinc/07/82/99/491078299.db2.gz FULCAFRZNGCAJS-MNOVXSKESA-N 2 0 215.341 -0.190 20 0 BBADRP C[NH2+]CCOCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000629531250 491078320 /nfs/dbraw/zinc/07/83/20/491078320.db2.gz FULCAFRZNGCAJS-QWRGUYRKSA-N 2 0 215.341 -0.190 20 0 BBADRP C[NH2+]CCOCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000629531251 491078325 /nfs/dbraw/zinc/07/83/25/491078325.db2.gz FULCAFRZNGCAJS-WDEREUQCSA-N 2 0 215.341 -0.190 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000629531310 361148802 /nfs/dbraw/zinc/14/88/02/361148802.db2.gz HICTUSGAQDJBAU-NEPJUHHUSA-N 2 0 245.367 -0.421 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000629531311 361149106 /nfs/dbraw/zinc/14/91/06/361149106.db2.gz HICTUSGAQDJBAU-NWDGAFQWSA-N 2 0 245.367 -0.421 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000629531312 361149141 /nfs/dbraw/zinc/14/91/41/361149141.db2.gz HICTUSGAQDJBAU-RYUDHWBXSA-N 2 0 245.367 -0.421 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000629531313 361148741 /nfs/dbraw/zinc/14/87/41/361148741.db2.gz HICTUSGAQDJBAU-VXGBXAGGSA-N 2 0 245.367 -0.421 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000629531415 361148616 /nfs/dbraw/zinc/14/86/16/361148616.db2.gz KMYMPBKEPAEUOE-NXEZZACHSA-N 3 0 203.330 -0.062 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000629531416 361148708 /nfs/dbraw/zinc/14/87/08/361148708.db2.gz KMYMPBKEPAEUOE-UWVGGRQHSA-N 3 0 203.330 -0.062 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000629531417 361148721 /nfs/dbraw/zinc/14/87/21/361148721.db2.gz KMYMPBKEPAEUOE-VHSXEESVSA-N 3 0 203.330 -0.062 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000629531418 361149429 /nfs/dbraw/zinc/14/94/29/361149429.db2.gz KMYMPBKEPAEUOE-ZJUUUORDSA-N 3 0 203.330 -0.062 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000629531606 361149216 /nfs/dbraw/zinc/14/92/16/361149216.db2.gz QWWQBLAKTRFZJO-NXEZZACHSA-N 3 0 201.314 -0.308 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000629531607 361149350 /nfs/dbraw/zinc/14/93/50/361149350.db2.gz QWWQBLAKTRFZJO-UWVGGRQHSA-N 3 0 201.314 -0.308 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000629531608 361148729 /nfs/dbraw/zinc/14/87/29/361148729.db2.gz QWWQBLAKTRFZJO-VHSXEESVSA-N 3 0 201.314 -0.308 20 0 BBADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000629531609 361149188 /nfs/dbraw/zinc/14/91/88/361149188.db2.gz QWWQBLAKTRFZJO-ZJUUUORDSA-N 3 0 201.314 -0.308 20 0 BBADRP C[NH2+]CCOCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000629531782 361149163 /nfs/dbraw/zinc/14/91/63/361149163.db2.gz XXVIETVCCYLTQJ-GHMZBOCLSA-N 2 0 215.341 -0.048 20 0 BBADRP C[NH2+]CCOCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000629531783 361149178 /nfs/dbraw/zinc/14/91/78/361149178.db2.gz XXVIETVCCYLTQJ-MNOVXSKESA-N 2 0 215.341 -0.048 20 0 BBADRP C[NH2+]CCOCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000629531784 361148854 /nfs/dbraw/zinc/14/88/54/361148854.db2.gz XXVIETVCCYLTQJ-QWRGUYRKSA-N 2 0 215.341 -0.048 20 0 BBADRP C[NH2+]CCOCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000629531785 361150048 /nfs/dbraw/zinc/15/00/48/361150048.db2.gz XXVIETVCCYLTQJ-WDEREUQCSA-N 2 0 215.341 -0.048 20 0 BBADRP CN1CCOC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000629532439 361153387 /nfs/dbraw/zinc/15/33/87/361153387.db2.gz ARRIIZGJECZLLD-LLVKDONJSA-N 2 0 213.325 -0.341 20 0 BBADRP CN1CCOC[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000629532440 361153425 /nfs/dbraw/zinc/15/34/25/361153425.db2.gz ARRIIZGJECZLLD-NSHDSACASA-N 2 0 213.325 -0.341 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1COCCN1C ZINC000629532483 361152913 /nfs/dbraw/zinc/15/29/13/361152913.db2.gz DAUWCHMLFDDCHJ-NEPJUHHUSA-N 2 0 245.367 -0.340 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1COCCN1C ZINC000629532484 361153015 /nfs/dbraw/zinc/15/30/15/361153015.db2.gz DAUWCHMLFDDCHJ-NWDGAFQWSA-N 2 0 245.367 -0.340 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1COCCN1C ZINC000629532485 361152560 /nfs/dbraw/zinc/15/25/60/361152560.db2.gz DAUWCHMLFDDCHJ-RYUDHWBXSA-N 2 0 245.367 -0.340 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1COCCN1C ZINC000629532486 361152358 /nfs/dbraw/zinc/15/23/58/361152358.db2.gz DAUWCHMLFDDCHJ-VXGBXAGGSA-N 2 0 245.367 -0.340 20 0 BBADRP CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000629532490 361152890 /nfs/dbraw/zinc/15/28/90/361152890.db2.gz DMFSXAPEJYQFDG-AXFHLTTASA-N 2 0 213.325 -0.214 20 0 BBADRP CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000629532491 361152570 /nfs/dbraw/zinc/15/25/70/361152570.db2.gz DMFSXAPEJYQFDG-DCAQKATOSA-N 2 0 213.325 -0.214 20 0 BBADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000629532492 361152935 /nfs/dbraw/zinc/15/29/35/361152935.db2.gz DMFSXAPEJYQFDG-GARJFASQSA-N 2 0 213.325 -0.214 20 0 BBADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000629532493 361152725 /nfs/dbraw/zinc/15/27/25/361152725.db2.gz DMFSXAPEJYQFDG-HBNTYKKESA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@H]([NH2+]C[C@@H]1COCCN1C)C1C[NH2+]C1 ZINC000629532800 361155574 /nfs/dbraw/zinc/15/55/74/361155574.db2.gz UCWVSHXDCNADLD-GXSJLCMTSA-N 2 0 213.325 -0.486 20 0 BBADRP C[C@@H]([NH2+]C[C@H]1COCCN1C)C1C[NH2+]C1 ZINC000629532801 361155895 /nfs/dbraw/zinc/15/58/95/361155895.db2.gz UCWVSHXDCNADLD-KOLCDFICSA-N 2 0 213.325 -0.486 20 0 BBADRP C[C@@H]([NH2+]C[C@@H]1COCCN1C)C1C[NH2+]C1 ZINC000629532802 361156252 /nfs/dbraw/zinc/15/62/52/361156252.db2.gz UCWVSHXDCNADLD-MWLCHTKSSA-N 2 0 213.325 -0.486 20 0 BBADRP C[C@H]([NH2+]C[C@H]1COCCN1C)C1C[NH2+]C1 ZINC000629532803 361155709 /nfs/dbraw/zinc/15/57/09/361155709.db2.gz UCWVSHXDCNADLD-ONGXEEELSA-N 2 0 213.325 -0.486 20 0 BBADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000629535079 361408877 /nfs/dbraw/zinc/40/88/77/361408877.db2.gz BGIWSARVBKNPNP-NXEZZACHSA-N 3 0 201.314 -0.179 20 0 BBADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000629535097 361408808 /nfs/dbraw/zinc/40/88/08/361408808.db2.gz BGIWSARVBKNPNP-UWVGGRQHSA-N 3 0 201.314 -0.179 20 0 BBADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000629535098 361408933 /nfs/dbraw/zinc/40/89/33/361408933.db2.gz BGIWSARVBKNPNP-VHSXEESVSA-N 3 0 201.314 -0.179 20 0 BBADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000629535100 361408260 /nfs/dbraw/zinc/40/82/60/361408260.db2.gz BGIWSARVBKNPNP-ZJUUUORDSA-N 3 0 201.314 -0.179 20 0 BBADRP C[C@H](CC(N)=O)[NH2+]CCOCCC[NH3+] ZINC000629535590 361410053 /nfs/dbraw/zinc/41/00/53/361410053.db2.gz COSBKDKORCZACN-MRVPVSSYSA-N 2 0 203.286 -0.795 20 0 BBADRP C[C@@H](CC(N)=O)[NH2+]CCOCCC[NH3+] ZINC000629535616 361410457 /nfs/dbraw/zinc/41/04/57/361410457.db2.gz COSBKDKORCZACN-QMMMGPOBSA-N 2 0 203.286 -0.795 20 0 BBADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCOCCC[NH3+] ZINC000629536366 361398521 /nfs/dbraw/zinc/39/85/21/361398521.db2.gz GGLIVHSTRNVGSP-NEPJUHHUSA-N 2 0 245.367 -0.292 20 0 BBADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCOCCC[NH3+] ZINC000629536495 361398493 /nfs/dbraw/zinc/39/84/93/361398493.db2.gz GGLIVHSTRNVGSP-NWDGAFQWSA-N 2 0 245.367 -0.292 20 0 BBADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCOCCC[NH3+] ZINC000629536496 361398696 /nfs/dbraw/zinc/39/86/96/361398696.db2.gz GGLIVHSTRNVGSP-RYUDHWBXSA-N 2 0 245.367 -0.292 20 0 BBADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCOCCC[NH3+] ZINC000629536498 361398589 /nfs/dbraw/zinc/39/85/89/361398589.db2.gz GGLIVHSTRNVGSP-VXGBXAGGSA-N 2 0 245.367 -0.292 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1COCCN1 ZINC000629538062 361402371 /nfs/dbraw/zinc/40/23/71/361402371.db2.gz SMERMPNGSNXYJO-GHMZBOCLSA-N 2 0 231.340 -0.682 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1COCCN1 ZINC000629538073 361402545 /nfs/dbraw/zinc/40/25/45/361402545.db2.gz SMERMPNGSNXYJO-MNOVXSKESA-N 2 0 231.340 -0.682 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1COCCN1 ZINC000629538074 361402609 /nfs/dbraw/zinc/40/26/09/361402609.db2.gz SMERMPNGSNXYJO-QWRGUYRKSA-N 2 0 231.340 -0.682 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1COCCN1 ZINC000629538076 361402375 /nfs/dbraw/zinc/40/23/75/361402375.db2.gz SMERMPNGSNXYJO-WDEREUQCSA-N 2 0 231.340 -0.682 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NCCOCCC[NH3+] ZINC000629538743 361403923 /nfs/dbraw/zinc/40/39/23/361403923.db2.gz ONFMQLYBRNNHAE-GHMZBOCLSA-N 2 0 215.341 -0.061 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCOCCC[NH3+] ZINC000629538750 361403179 /nfs/dbraw/zinc/40/31/79/361403179.db2.gz ONFMQLYBRNNHAE-MNOVXSKESA-N 2 0 215.341 -0.061 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NCCOCCC[NH3+] ZINC000629538753 361403962 /nfs/dbraw/zinc/40/39/62/361403962.db2.gz ONFMQLYBRNNHAE-QWRGUYRKSA-N 2 0 215.341 -0.061 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NCCOCCC[NH3+] ZINC000629538755 361403815 /nfs/dbraw/zinc/40/38/15/361403815.db2.gz ONFMQLYBRNNHAE-WDEREUQCSA-N 2 0 215.341 -0.061 20 0 BBADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1COCCN1 ZINC000629538787 361403808 /nfs/dbraw/zinc/40/38/08/361403808.db2.gz VNVYOYGLFWVYRZ-LOWDOPEQSA-N 2 0 239.363 -0.048 20 0 BBADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1COCCN1 ZINC000629538795 361403679 /nfs/dbraw/zinc/40/36/79/361403679.db2.gz VNVYOYGLFWVYRZ-LPWJVIDDSA-N 2 0 239.363 -0.048 20 0 BBADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1COCCN1 ZINC000629538801 361403528 /nfs/dbraw/zinc/40/35/28/361403528.db2.gz VNVYOYGLFWVYRZ-RVMXOQNASA-N 2 0 239.363 -0.048 20 0 BBADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1COCCN1 ZINC000629538805 361403224 /nfs/dbraw/zinc/40/32/24/361403224.db2.gz VNVYOYGLFWVYRZ-XQHKEYJVSA-N 2 0 239.363 -0.048 20 0 BBADRP [NH3+]CCCOCC[NH2+]C1CC[NH2+]CC1 ZINC000629540094 361414227 /nfs/dbraw/zinc/41/42/27/361414227.db2.gz TXMOBJVBPQESAL-UHFFFAOYSA-N 2 0 201.314 -0.307 20 0 BBADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629541299 361416380 /nfs/dbraw/zinc/41/63/80/361416380.db2.gz YHMRXXNKIZCEOF-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629541300 361416497 /nfs/dbraw/zinc/41/64/97/361416497.db2.gz YHMRXXNKIZCEOF-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629542175 361418550 /nfs/dbraw/zinc/41/85/50/361418550.db2.gz WKRYBPJBCNBWHK-GHMZBOCLSA-N 2 0 215.341 -0.109 20 0 BBADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629542178 361418432 /nfs/dbraw/zinc/41/84/32/361418432.db2.gz WKRYBPJBCNBWHK-MNOVXSKESA-N 2 0 215.341 -0.109 20 0 BBADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629542179 361417636 /nfs/dbraw/zinc/41/76/36/361417636.db2.gz WKRYBPJBCNBWHK-QWRGUYRKSA-N 2 0 215.341 -0.109 20 0 BBADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629542181 361417828 /nfs/dbraw/zinc/41/78/28/361417828.db2.gz WKRYBPJBCNBWHK-WDEREUQCSA-N 2 0 215.341 -0.109 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629543415 361411929 /nfs/dbraw/zinc/41/19/29/361411929.db2.gz AWDMHDQXKFSMDN-IJLUTSLNSA-N 2 0 227.352 -0.359 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629543416 361411067 /nfs/dbraw/zinc/41/10/67/361411067.db2.gz AWDMHDQXKFSMDN-QJPTWQEYSA-N 2 0 227.352 -0.359 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629543417 361411044 /nfs/dbraw/zinc/41/10/44/361411044.db2.gz AWDMHDQXKFSMDN-TUAOUCFPSA-N 2 0 227.352 -0.359 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629543418 361411418 /nfs/dbraw/zinc/41/14/18/361411418.db2.gz AWDMHDQXKFSMDN-UTUOFQBUSA-N 2 0 227.352 -0.359 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000629544144 361412656 /nfs/dbraw/zinc/41/26/56/361412656.db2.gz HHEXPXXREZRQQX-GRYCIOLGSA-N 2 0 227.352 -0.088 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000629544145 361412615 /nfs/dbraw/zinc/41/26/15/361412615.db2.gz HHEXPXXREZRQQX-IJLUTSLNSA-N 2 0 227.352 -0.088 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000629544146 361413297 /nfs/dbraw/zinc/41/32/97/361413297.db2.gz HHEXPXXREZRQQX-QJPTWQEYSA-N 2 0 227.352 -0.088 20 0 BBADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000629544147 361413069 /nfs/dbraw/zinc/41/30/69/361413069.db2.gz HHEXPXXREZRQQX-SDDRHHMPSA-N 2 0 227.352 -0.088 20 0 BBADRP O[C@@H]1CC[N@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629544171 361414591 /nfs/dbraw/zinc/41/45/91/361414591.db2.gz HRMGTQCTFGYMHU-ZGVCCVRISA-N 2 0 239.363 -0.074 20 0 BBADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544457 361423490 /nfs/dbraw/zinc/42/34/90/361423490.db2.gz IOPWVNIROXWKMS-IJLUTSLNSA-N 2 0 227.352 -0.230 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544458 361423587 /nfs/dbraw/zinc/42/35/87/361423587.db2.gz IOPWVNIROXWKMS-QJPTWQEYSA-N 2 0 227.352 -0.230 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544459 361423639 /nfs/dbraw/zinc/42/36/39/361423639.db2.gz IOPWVNIROXWKMS-TUAOUCFPSA-N 2 0 227.352 -0.230 20 0 BBADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544461 361422948 /nfs/dbraw/zinc/42/29/48/361422948.db2.gz IOPWVNIROXWKMS-UTUOFQBUSA-N 2 0 227.352 -0.230 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629545379 397968910 /nfs/dbraw/zinc/96/89/10/397968910.db2.gz MBHKVGSNRMJLGS-GARJFASQSA-N 2 0 215.341 -0.232 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629545384 397968795 /nfs/dbraw/zinc/96/87/95/397968795.db2.gz MBHKVGSNRMJLGS-GMTAPVOTSA-N 2 0 215.341 -0.232 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CC[C@@H](O)C1 ZINC000629545385 397968916 /nfs/dbraw/zinc/96/89/16/397968916.db2.gz MBHKVGSNRMJLGS-HBNTYKKESA-N 2 0 215.341 -0.232 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629545386 397968811 /nfs/dbraw/zinc/96/88/11/397968811.db2.gz MBHKVGSNRMJLGS-OUAUKWLOSA-N 2 0 215.341 -0.232 20 0 BBADRP C[C@@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000629547026 361430422 /nfs/dbraw/zinc/43/04/22/361430422.db2.gz RRXWENACXDIFPN-IJLUTSLNSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000629547027 361430875 /nfs/dbraw/zinc/43/08/75/361430875.db2.gz RRXWENACXDIFPN-QJPTWQEYSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629547029 361430700 /nfs/dbraw/zinc/43/07/00/361430700.db2.gz RRXWENACXDIFPN-TUAOUCFPSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629547030 361430799 /nfs/dbraw/zinc/43/07/99/361430799.db2.gz RRXWENACXDIFPN-UTUOFQBUSA-N 2 0 227.352 -0.217 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548089 361432975 /nfs/dbraw/zinc/43/29/75/361432975.db2.gz VKBIWKWWAMKMBD-NWDGAFQWSA-N 2 0 245.367 -0.604 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548090 361433086 /nfs/dbraw/zinc/43/30/86/361433086.db2.gz VKBIWKWWAMKMBD-VXGBXAGGSA-N 2 0 245.367 -0.604 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548234 361432562 /nfs/dbraw/zinc/43/25/62/361432562.db2.gz WQLAPBKMUFQYBF-GMTAPVOTSA-N 2 0 213.325 -0.478 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548253 361432987 /nfs/dbraw/zinc/43/29/87/361432987.db2.gz WQLAPBKMUFQYBF-MXWKQRLJSA-N 2 0 213.325 -0.478 20 0 BBADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548257 361433141 /nfs/dbraw/zinc/43/31/41/361433141.db2.gz WQLAPBKMUFQYBF-OUAUKWLOSA-N 2 0 213.325 -0.478 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548259 361433372 /nfs/dbraw/zinc/43/33/72/361433372.db2.gz WQLAPBKMUFQYBF-VWYCJHECSA-N 2 0 213.325 -0.478 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000629553648 361438545 /nfs/dbraw/zinc/43/85/45/361438545.db2.gz CCDALTQARXOZRC-NEPJUHHUSA-N 2 0 227.352 -0.095 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000629553649 361438437 /nfs/dbraw/zinc/43/84/37/361438437.db2.gz CCDALTQARXOZRC-NWDGAFQWSA-N 2 0 227.352 -0.095 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000629553650 361438471 /nfs/dbraw/zinc/43/84/71/361438471.db2.gz CCDALTQARXOZRC-RYUDHWBXSA-N 2 0 227.352 -0.095 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000629553651 361439158 /nfs/dbraw/zinc/43/91/58/361439158.db2.gz CCDALTQARXOZRC-VXGBXAGGSA-N 2 0 227.352 -0.095 20 0 BBADRP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000629554633 361438737 /nfs/dbraw/zinc/43/87/37/361438737.db2.gz LLUACGOUEHYMOK-AXFHLTTASA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000629554634 361438987 /nfs/dbraw/zinc/43/89/87/361438987.db2.gz LLUACGOUEHYMOK-GMTAPVOTSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000629554635 361438674 /nfs/dbraw/zinc/43/86/74/361438674.db2.gz LLUACGOUEHYMOK-HBNTYKKESA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000629554636 361438274 /nfs/dbraw/zinc/43/82/74/361438274.db2.gz LLUACGOUEHYMOK-MXWKQRLJSA-N 2 0 213.325 -0.295 20 0 BBADRP C1CC1[C@@H](N[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000629555281 361445845 /nfs/dbraw/zinc/44/58/45/361445845.db2.gz UCRMCWVYAZFGRD-GRYCIOLGSA-N 2 0 225.336 -0.295 20 0 BBADRP C1CC1[C@@H](N[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000629555282 361446183 /nfs/dbraw/zinc/44/61/83/361446183.db2.gz UCRMCWVYAZFGRD-IJLUTSLNSA-N 2 0 225.336 -0.295 20 0 BBADRP C1CC1[C@H](N[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000629555283 361446267 /nfs/dbraw/zinc/44/62/67/361446267.db2.gz UCRMCWVYAZFGRD-UTUOFQBUSA-N 2 0 225.336 -0.295 20 0 BBADRP C1CC1[C@H](N[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000629555284 361446203 /nfs/dbraw/zinc/44/62/03/361446203.db2.gz UCRMCWVYAZFGRD-WOPDTQHZSA-N 2 0 225.336 -0.295 20 0 BBADRP COC[C@@H](CCC[NH3+])N[C@@H]1CC[NH2+]C1 ZINC000629555502 361447745 /nfs/dbraw/zinc/44/77/45/361447745.db2.gz VQCWKVHQWBONRG-NXEZZACHSA-N 2 0 201.314 -0.308 20 0 BBADRP COC[C@H](CCC[NH3+])N[C@@H]1CC[NH2+]C1 ZINC000629555503 361446987 /nfs/dbraw/zinc/44/69/87/361446987.db2.gz VQCWKVHQWBONRG-ZJUUUORDSA-N 2 0 201.314 -0.308 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555683 361447126 /nfs/dbraw/zinc/44/71/26/361447126.db2.gz AWDMHDQXKFSMDN-GRYCIOLGSA-N 2 0 227.352 -0.359 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555686 361447668 /nfs/dbraw/zinc/44/76/68/361447668.db2.gz AWDMHDQXKFSMDN-SDDRHHMPSA-N 2 0 227.352 -0.359 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555688 361447440 /nfs/dbraw/zinc/44/74/40/361447440.db2.gz AWDMHDQXKFSMDN-SRVKXCTJSA-N 2 0 227.352 -0.359 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000629555692 361448146 /nfs/dbraw/zinc/44/81/46/361448146.db2.gz AWDMHDQXKFSMDN-WOPDTQHZSA-N 2 0 227.352 -0.359 20 0 BBADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000629555863 361449203 /nfs/dbraw/zinc/44/92/03/361449203.db2.gz HHEXPXXREZRQQX-SRVKXCTJSA-N 2 0 227.352 -0.088 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000629555864 361449035 /nfs/dbraw/zinc/44/90/35/361449035.db2.gz HHEXPXXREZRQQX-TUAOUCFPSA-N 2 0 227.352 -0.088 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000629555866 361448123 /nfs/dbraw/zinc/44/81/23/361448123.db2.gz HHEXPXXREZRQQX-UTUOFQBUSA-N 2 0 227.352 -0.088 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000629555868 361448380 /nfs/dbraw/zinc/44/83/80/361448380.db2.gz HHEXPXXREZRQQX-WOPDTQHZSA-N 2 0 227.352 -0.088 20 0 BBADRP O[C@H]1CC[N@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629555881 361448303 /nfs/dbraw/zinc/44/83/03/361448303.db2.gz HRMGTQCTFGYMHU-HNGCFSAESA-N 2 0 239.363 -0.074 20 0 BBADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555913 361449165 /nfs/dbraw/zinc/44/91/65/361449165.db2.gz IOPWVNIROXWKMS-GRYCIOLGSA-N 2 0 227.352 -0.230 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555916 361448970 /nfs/dbraw/zinc/44/89/70/361448970.db2.gz IOPWVNIROXWKMS-SDDRHHMPSA-N 2 0 227.352 -0.230 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555917 361448840 /nfs/dbraw/zinc/44/88/40/361448840.db2.gz IOPWVNIROXWKMS-SRVKXCTJSA-N 2 0 227.352 -0.230 20 0 BBADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555918 361449150 /nfs/dbraw/zinc/44/91/50/361449150.db2.gz IOPWVNIROXWKMS-WOPDTQHZSA-N 2 0 227.352 -0.230 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CC[C@H](O)C1 ZINC000629556178 361448700 /nfs/dbraw/zinc/44/87/00/361448700.db2.gz MBHKVGSNRMJLGS-AXFHLTTASA-N 2 0 215.341 -0.232 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556179 361448874 /nfs/dbraw/zinc/44/88/74/361448874.db2.gz MBHKVGSNRMJLGS-DCAQKATOSA-N 2 0 215.341 -0.232 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556180 361448355 /nfs/dbraw/zinc/44/83/55/361448355.db2.gz MBHKVGSNRMJLGS-MXWKQRLJSA-N 2 0 215.341 -0.232 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556181 361449065 /nfs/dbraw/zinc/44/90/65/361449065.db2.gz MBHKVGSNRMJLGS-VWYCJHECSA-N 2 0 215.341 -0.232 20 0 BBADRP CCN(CC[NH3+])CCCS(=O)(=O)NC ZINC000629556317 361449792 /nfs/dbraw/zinc/44/97/92/361449792.db2.gz GNGLMNDULGJLBD-UHFFFAOYSA-N 2 0 223.342 -0.794 20 0 BBADRP C[C@@H](NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000629556525 361450470 /nfs/dbraw/zinc/45/04/70/361450470.db2.gz RRXWENACXDIFPN-GRYCIOLGSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@H](NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000629556526 361450215 /nfs/dbraw/zinc/45/02/15/361450215.db2.gz RRXWENACXDIFPN-SDDRHHMPSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@H](NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629556527 361449839 /nfs/dbraw/zinc/44/98/39/361449839.db2.gz RRXWENACXDIFPN-SRVKXCTJSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H](NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629556528 361450422 /nfs/dbraw/zinc/45/04/22/361450422.db2.gz RRXWENACXDIFPN-WOPDTQHZSA-N 2 0 227.352 -0.217 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+]CCN1CC[C@H](O)C1 ZINC000629556624 361450499 /nfs/dbraw/zinc/45/04/99/361450499.db2.gz VKBIWKWWAMKMBD-NEPJUHHUSA-N 2 0 245.367 -0.604 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+]CCN1CC[C@H](O)C1 ZINC000629556626 361450052 /nfs/dbraw/zinc/45/00/52/361450052.db2.gz VKBIWKWWAMKMBD-RYUDHWBXSA-N 2 0 245.367 -0.604 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556654 361450316 /nfs/dbraw/zinc/45/03/16/361450316.db2.gz WQLAPBKMUFQYBF-AXFHLTTASA-N 2 0 213.325 -0.478 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556655 361449609 /nfs/dbraw/zinc/44/96/09/361449609.db2.gz WQLAPBKMUFQYBF-DCAQKATOSA-N 2 0 213.325 -0.478 20 0 BBADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556656 361450035 /nfs/dbraw/zinc/45/00/35/361450035.db2.gz WQLAPBKMUFQYBF-GARJFASQSA-N 2 0 213.325 -0.478 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556658 361449663 /nfs/dbraw/zinc/44/96/63/361449663.db2.gz WQLAPBKMUFQYBF-HBNTYKKESA-N 2 0 213.325 -0.478 20 0 BBADRP CCN(CC[NH3+])CCN1CC[NH2+]CC1 ZINC000629557899 361451257 /nfs/dbraw/zinc/45/12/57/361451257.db2.gz IVVFXHMBZMKBBV-UHFFFAOYSA-N 2 0 200.330 -0.828 20 0 BBADRP CCN(CC[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629557974 361452090 /nfs/dbraw/zinc/45/20/90/361452090.db2.gz MCLJXGJOLGSWRL-JTQLQIEISA-N 2 0 213.325 -0.212 20 0 BBADRP CCN(CC[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629557975 361451215 /nfs/dbraw/zinc/45/12/15/361451215.db2.gz MCLJXGJOLGSWRL-SNVBAGLBSA-N 2 0 213.325 -0.212 20 0 BBADRP CCN(CC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000629558098 361453241 /nfs/dbraw/zinc/45/32/41/361453241.db2.gz QYWYCQGYKPHJQG-UHFFFAOYSA-N 2 0 228.340 -0.911 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000629565734 361457138 /nfs/dbraw/zinc/45/71/38/361457138.db2.gz GMCGJQAAXKLMSJ-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC000629565735 361457255 /nfs/dbraw/zinc/45/72/55/361457255.db2.gz GMCGJQAAXKLMSJ-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000629567291 361458592 /nfs/dbraw/zinc/45/85/92/361458592.db2.gz JLNWLRHKQQZAEN-LLVKDONJSA-N 3 0 215.341 -0.236 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000629567292 361458373 /nfs/dbraw/zinc/45/83/73/361458373.db2.gz JLNWLRHKQQZAEN-NSHDSACASA-N 3 0 215.341 -0.236 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CCn1cncn1 ZINC000629569398 361461564 /nfs/dbraw/zinc/46/15/64/361461564.db2.gz BTZAKAXRBSAKKJ-UHFFFAOYSA-N 2 0 227.312 -0.554 20 0 BBADRP CC[C@H](C(N)=O)[N@H+](C)CCOCC[NH2+]C ZINC000629569417 361461441 /nfs/dbraw/zinc/46/14/41/361461441.db2.gz CEDDRDLRMMYPAK-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CC[C@@H](C(N)=O)[N@H+](C)CCOCC[NH2+]C ZINC000629569418 361461766 /nfs/dbraw/zinc/46/17/66/361461766.db2.gz CEDDRDLRMMYPAK-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CC(C)(C)O ZINC000629569440 361461884 /nfs/dbraw/zinc/46/18/84/361461884.db2.gz CYHXAKLCJBTIBT-UHFFFAOYSA-N 2 0 204.314 -0.075 20 0 BBADRP C[NH2+]CCCN(C)CCOCC[NH2+]C ZINC000629569769 361461424 /nfs/dbraw/zinc/46/14/24/361461424.db2.gz FKFRVDKKILGWSC-UHFFFAOYSA-N 2 0 203.330 -0.236 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CCC(=O)N(C)C ZINC000629569862 584781647 /nfs/dbraw/zinc/78/16/47/584781647.db2.gz GHJGBGZKPFIGLT-UHFFFAOYSA-N 2 0 231.340 -0.368 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CCN1CCCC1=O ZINC000629570234 361459534 /nfs/dbraw/zinc/45/95/34/361459534.db2.gz ARSNNEWMVZYCTH-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000629570828 361460773 /nfs/dbraw/zinc/46/07/73/361460773.db2.gz NIUFECMHDWMQIB-UHFFFAOYSA-N 3 0 244.383 -0.941 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(N)=O ZINC000629571337 361460561 /nfs/dbraw/zinc/46/05/61/361460561.db2.gz SGZHQGMMUXTGEI-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(N)=O ZINC000629571338 361460636 /nfs/dbraw/zinc/46/06/36/361460636.db2.gz SGZHQGMMUXTGEI-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000629571370 361461848 /nfs/dbraw/zinc/46/18/48/361461848.db2.gz SZRDKNNGAHVXBH-JTQLQIEISA-N 2 0 231.340 -0.369 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC000629571371 361461937 /nfs/dbraw/zinc/46/19/37/361461937.db2.gz SZRDKNNGAHVXBH-SNVBAGLBSA-N 2 0 231.340 -0.369 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CCN1CCOCC1 ZINC000629571681 361462614 /nfs/dbraw/zinc/46/26/14/361462614.db2.gz ZZTPJHYNOFJXKI-UHFFFAOYSA-N 2 0 245.367 -0.514 20 0 BBADRP C[NH2+]CCOCCN(C)C[C@H]1C[NH2+]CCO1 ZINC000629571713 361462455 /nfs/dbraw/zinc/46/24/55/361462455.db2.gz HVYDQEZCXCBOHT-LLVKDONJSA-N 2 0 231.340 -0.857 20 0 BBADRP C[NH2+]CCOCCN(C)C[C@@H]1C[NH2+]CCO1 ZINC000629571716 361463227 /nfs/dbraw/zinc/46/32/27/361463227.db2.gz HVYDQEZCXCBOHT-NSHDSACASA-N 2 0 231.340 -0.857 20 0 BBADRP CCN1CC[C@@H]([N@H+](C)CCOCC[NH2+]C)C1=O ZINC000629571728 361463869 /nfs/dbraw/zinc/46/38/69/361463869.db2.gz IDEPUWFYEYSAQN-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP CCN1CC[C@H]([N@H+](C)CCOCC[NH2+]C)C1=O ZINC000629571733 361463916 /nfs/dbraw/zinc/46/39/16/361463916.db2.gz IDEPUWFYEYSAQN-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000629571970 361463695 /nfs/dbraw/zinc/46/36/95/361463695.db2.gz KYCSSGHBTKERFH-JTQLQIEISA-N 2 0 229.324 -0.615 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000629571971 361463782 /nfs/dbraw/zinc/46/37/82/361463782.db2.gz KYCSSGHBTKERFH-SNVBAGLBSA-N 2 0 229.324 -0.615 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC000629572239 361463974 /nfs/dbraw/zinc/46/39/74/361463974.db2.gz PESRCBHDLIAJJO-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC000629572240 361463883 /nfs/dbraw/zinc/46/38/83/361463883.db2.gz PESRCBHDLIAJJO-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCNC1=O ZINC000629572483 361463864 /nfs/dbraw/zinc/46/38/64/361463864.db2.gz UQOKFIZWISKJOH-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@H]1CCNC1=O ZINC000629572484 361463874 /nfs/dbraw/zinc/46/38/74/361463874.db2.gz UQOKFIZWISKJOH-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCOCCN(C)C[C@](C)(O)C[NH2+]C ZINC000629572586 361463823 /nfs/dbraw/zinc/46/38/23/361463823.db2.gz XSRWZDXZIALPCK-LLVKDONJSA-N 2 0 233.356 -0.875 20 0 BBADRP C[NH2+]CCOCCN(C)C[C@@](C)(O)C[NH2+]C ZINC000629572587 361463683 /nfs/dbraw/zinc/46/36/83/361463683.db2.gz XSRWZDXZIALPCK-NSHDSACASA-N 2 0 233.356 -0.875 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC000629576755 361468472 /nfs/dbraw/zinc/46/84/72/361468472.db2.gz PDAFBDPHYILICK-JTQLQIEISA-N 3 0 201.314 -0.497 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC000629576758 361467792 /nfs/dbraw/zinc/46/77/92/361467792.db2.gz PDAFBDPHYILICK-SNVBAGLBSA-N 3 0 201.314 -0.497 20 0 BBADRP C[N@H+](CCOCC[NH3+])CC1CC[NH2+]CC1 ZINC000629577180 361467559 /nfs/dbraw/zinc/46/75/59/361467559.db2.gz QGYZJUXKSORIBG-UHFFFAOYSA-N 3 0 215.341 -0.107 20 0 BBADRP O[C@@H](C[NH2+][C@H]1[C@@H]2COC[C@@H]21)C[NH+]1CCCC1 ZINC000629577498 361467306 /nfs/dbraw/zinc/46/73/06/361467306.db2.gz AQGHMQYHQPAGDJ-NNYUYHANSA-N 2 0 226.320 -0.323 20 0 BBADRP O[C@H](C[NH2+][C@H]1[C@@H]2COC[C@@H]21)C[NH+]1CCCC1 ZINC000629577499 361467169 /nfs/dbraw/zinc/46/71/69/361467169.db2.gz AQGHMQYHQPAGDJ-WYUUTHIRSA-N 2 0 226.320 -0.323 20 0 BBADRP C[N@H+](CCCN1CCOCC1)CCOCC[NH3+] ZINC000629577811 361467272 /nfs/dbraw/zinc/46/72/72/361467272.db2.gz JOZHOPSGUHPADT-UHFFFAOYSA-N 2 0 245.367 -0.384 20 0 BBADRP Cn1ccc(C[N@H+](C)CCOCC[NH3+])cc1=O ZINC000629577920 361467465 /nfs/dbraw/zinc/46/74/65/361467465.db2.gz FMSJAEXSTXJJRZ-UHFFFAOYSA-N 2 0 239.319 -0.208 20 0 BBADRP CC(C)N1CC[C@@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000629577929 361467213 /nfs/dbraw/zinc/46/72/13/361467213.db2.gz FPKAHXWPEXIJDK-LLVKDONJSA-N 2 0 243.351 -0.097 20 0 BBADRP CC(C)N1CC[C@H]([N@H+](C)CCOCC[NH3+])C1=O ZINC000629577930 361467772 /nfs/dbraw/zinc/46/77/72/361467772.db2.gz FPKAHXWPEXIJDK-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000629578355 361464577 /nfs/dbraw/zinc/46/45/77/361464577.db2.gz XUMVQPVHXUWBLF-LLVKDONJSA-N 3 0 215.341 -0.107 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000629578357 361465154 /nfs/dbraw/zinc/46/51/54/361465154.db2.gz XUMVQPVHXUWBLF-NSHDSACASA-N 3 0 215.341 -0.107 20 0 BBADRP CN(CCOCC[NH3+])CC(=O)NCC1CCC1 ZINC000629579659 361466035 /nfs/dbraw/zinc/46/60/35/361466035.db2.gz WCGUNAHFQMKGAS-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP C[N@H+](CCOCC[NH3+])CCN1C(=O)CCC1=O ZINC000629579922 361466218 /nfs/dbraw/zinc/46/62/18/361466218.db2.gz YHWBUZBYOCSXAN-UHFFFAOYSA-N 2 0 243.307 -0.958 20 0 BBADRP C[C@H](CN1CCOCC1)[N@H+](C)CCOCC[NH3+] ZINC000629580424 361466127 /nfs/dbraw/zinc/46/61/27/361466127.db2.gz BOQUKZFMPMBWIR-GFCCVEGCSA-N 2 0 245.367 -0.386 20 0 BBADRP C[C@@H](CN1CCOCC1)[N@H+](C)CCOCC[NH3+] ZINC000629580425 361466435 /nfs/dbraw/zinc/46/64/35/361466435.db2.gz BOQUKZFMPMBWIR-LBPRGKRZSA-N 2 0 245.367 -0.386 20 0 BBADRP C[C@@H]1CN(CC[N@H+](C)CCOCC[NH3+])CCO1 ZINC000629580469 361464371 /nfs/dbraw/zinc/46/43/71/361464371.db2.gz CYVREMRYODLEIZ-GFCCVEGCSA-N 2 0 245.367 -0.386 20 0 BBADRP C[C@H]1CN(CC[N@H+](C)CCOCC[NH3+])CCO1 ZINC000629580470 361465078 /nfs/dbraw/zinc/46/50/78/361465078.db2.gz CYVREMRYODLEIZ-LBPRGKRZSA-N 2 0 245.367 -0.386 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629580956 361470911 /nfs/dbraw/zinc/47/09/11/361470911.db2.gz HFOYAOUOYNQLFI-LLVKDONJSA-N 2 0 243.351 -0.586 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629580957 361470739 /nfs/dbraw/zinc/47/07/39/361470739.db2.gz HFOYAOUOYNQLFI-NSHDSACASA-N 2 0 243.351 -0.586 20 0 BBADRP CN(CCOCC[NH3+])Cc1nc(N(C)C)no1 ZINC000629581063 361470984 /nfs/dbraw/zinc/47/09/84/361470984.db2.gz LSICVBOJNZGUBV-UHFFFAOYSA-N 2 0 243.311 -0.457 20 0 BBADRP C[C@H](c1nnnn1C)N(C)CCOCC[NH3+] ZINC000629581108 361471611 /nfs/dbraw/zinc/47/16/11/361471611.db2.gz NLYFKNQLDTXVBZ-MRVPVSSYSA-N 2 0 228.300 -0.822 20 0 BBADRP C[C@@H](c1nnnn1C)N(C)CCOCC[NH3+] ZINC000629581109 361471298 /nfs/dbraw/zinc/47/12/98/361471298.db2.gz NLYFKNQLDTXVBZ-QMMMGPOBSA-N 2 0 228.300 -0.822 20 0 BBADRP C[N@H+](CCOCC[NH3+])CC[C@H]1CC[NH2+]C1 ZINC000629581184 361470581 /nfs/dbraw/zinc/47/05/81/361470581.db2.gz QPLWTMRMYXZAKH-LLVKDONJSA-N 3 0 215.341 -0.107 20 0 BBADRP C[N@H+](CCOCC[NH3+])CC[C@@H]1CC[NH2+]C1 ZINC000629581185 361471134 /nfs/dbraw/zinc/47/11/34/361471134.db2.gz QPLWTMRMYXZAKH-NSHDSACASA-N 3 0 215.341 -0.107 20 0 BBADRP COC[C@H](C[N@H+](C)CCOCC[NH3+])OC ZINC000629581412 361471633 /nfs/dbraw/zinc/47/16/33/361471633.db2.gz ZUOYCKVLNDXOKQ-JTQLQIEISA-N 2 0 220.313 -0.445 20 0 BBADRP COC[C@@H](C[N@H+](C)CCOCC[NH3+])OC ZINC000629581413 361471473 /nfs/dbraw/zinc/47/14/73/361471473.db2.gz ZUOYCKVLNDXOKQ-SNVBAGLBSA-N 2 0 220.313 -0.445 20 0 BBADRP O[C@H](C[NH2+]CCc1cn[nH]c1)C[NH+]1CCCC1 ZINC000629581455 361472892 /nfs/dbraw/zinc/47/28/92/361472892.db2.gz BENGQMRVVBLERA-GFCCVEGCSA-N 2 0 238.335 -0.002 20 0 BBADRP O[C@@H](C[NH2+]CCc1cn[nH]c1)C[NH+]1CCCC1 ZINC000629581456 361472435 /nfs/dbraw/zinc/47/24/35/361472435.db2.gz BENGQMRVVBLERA-LBPRGKRZSA-N 2 0 238.335 -0.002 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581647 361472710 /nfs/dbraw/zinc/47/27/10/361472710.db2.gz FHVOCEIOJJPHKF-PHIMTYICSA-N 2 0 240.351 -0.913 20 0 BBADRP C[N@H+](CCOCC[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582262 361472314 /nfs/dbraw/zinc/47/23/14/361472314.db2.gz QHMOFJKABJNIOR-DTORHVGOSA-N 2 0 215.297 -0.843 20 0 BBADRP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582297 361472108 /nfs/dbraw/zinc/47/21/08/361472108.db2.gz RURWQVLBBMSDSA-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582298 361471957 /nfs/dbraw/zinc/47/19/57/361471957.db2.gz RURWQVLBBMSDSA-LPEHRKFASA-N 2 0 211.309 -0.208 20 0 BBADRP O[C@@H](C[NH2+][C@@H]1CCC[C@H]1O)C[NH+]1CCCC1 ZINC000629583320 361467441 /nfs/dbraw/zinc/46/74/41/361467441.db2.gz YUTRPSIEBGYRRO-QJPTWQEYSA-N 2 0 228.336 -0.054 20 0 BBADRP NC(=O)C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629583615 361467348 /nfs/dbraw/zinc/46/73/48/361467348.db2.gz GDQFFTADEXJYFC-GHMZBOCLSA-N 2 0 241.335 -0.438 20 0 BBADRP NC(=O)C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629583616 361467535 /nfs/dbraw/zinc/46/75/35/361467535.db2.gz GDQFFTADEXJYFC-MNOVXSKESA-N 2 0 241.335 -0.438 20 0 BBADRP NC(=O)C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629583617 361468118 /nfs/dbraw/zinc/46/81/18/361468118.db2.gz GDQFFTADEXJYFC-QWRGUYRKSA-N 2 0 241.335 -0.438 20 0 BBADRP NC(=O)C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629583618 361467251 /nfs/dbraw/zinc/46/72/51/361467251.db2.gz GDQFFTADEXJYFC-WDEREUQCSA-N 2 0 241.335 -0.438 20 0 BBADRP NC(=O)C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629584107 361469481 /nfs/dbraw/zinc/46/94/81/361469481.db2.gz OHYNKKCPKXILOP-GHMZBOCLSA-N 2 0 241.335 -0.438 20 0 BBADRP NC(=O)C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629584108 361468932 /nfs/dbraw/zinc/46/89/32/361468932.db2.gz OHYNKKCPKXILOP-MNOVXSKESA-N 2 0 241.335 -0.438 20 0 BBADRP NC(=O)C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629584110 361469122 /nfs/dbraw/zinc/46/91/22/361469122.db2.gz OHYNKKCPKXILOP-QWRGUYRKSA-N 2 0 241.335 -0.438 20 0 BBADRP NC(=O)C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000629584112 361469259 /nfs/dbraw/zinc/46/92/59/361469259.db2.gz OHYNKKCPKXILOP-WDEREUQCSA-N 2 0 241.335 -0.438 20 0 BBADRP O[C@@H](C[NH2+][C@@H]1C[C@H](O)C1)C[NH+]1CCCC1 ZINC000629584473 361473810 /nfs/dbraw/zinc/47/38/10/361473810.db2.gz VHASCOASGPVZET-AXFHLTTASA-N 2 0 214.309 -0.444 20 0 BBADRP O[C@H](C[NH2+][C@@H]1C[C@H](O)C1)C[NH+]1CCCC1 ZINC000629584474 361473639 /nfs/dbraw/zinc/47/36/39/361473639.db2.gz VHASCOASGPVZET-OUAUKWLOSA-N 2 0 214.309 -0.444 20 0 BBADRP O[C@@H](C[NH2+][C@@H]1C[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629585449 361474659 /nfs/dbraw/zinc/47/46/59/361474659.db2.gz VHASCOASGPVZET-DCAQKATOSA-N 2 0 214.309 -0.444 20 0 BBADRP O[C@H](C[NH2+][C@@H]1C[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629585450 361474691 /nfs/dbraw/zinc/47/46/91/361474691.db2.gz VHASCOASGPVZET-GMTAPVOTSA-N 2 0 214.309 -0.444 20 0 BBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(CCOCC[NH3+])C2 ZINC000629592322 361484959 /nfs/dbraw/zinc/48/49/59/361484959.db2.gz ADFPMEREVCIVTG-TXEJJXNPSA-N 2 0 227.352 -0.107 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593179 361485349 /nfs/dbraw/zinc/48/53/49/361485349.db2.gz HJVLFTCLKSYNDG-FRRDWIJNSA-N 2 0 241.379 -0.112 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593180 361484580 /nfs/dbraw/zinc/48/45/80/361484580.db2.gz HJVLFTCLKSYNDG-XQQFMLRXSA-N 2 0 241.379 -0.112 20 0 BBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1C[NH2+]CCO1)C2 ZINC000629593181 361485062 /nfs/dbraw/zinc/48/50/62/361485062.db2.gz HMUAFKUKBVQVTL-RWMBFGLXSA-N 2 0 239.363 -0.094 20 0 BBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]1C[NH2+]CCO1)C2 ZINC000629593182 361484723 /nfs/dbraw/zinc/48/47/23/361484723.db2.gz HMUAFKUKBVQVTL-UPJWGTAASA-N 2 0 239.363 -0.094 20 0 BBADRP CC(=O)NC[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000629595090 361482352 /nfs/dbraw/zinc/48/23/52/361482352.db2.gz JLUIXVDBZGIXOD-GFCCVEGCSA-N 2 0 243.351 -0.048 20 0 BBADRP CC(=O)NC[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000629595091 361482414 /nfs/dbraw/zinc/48/24/14/361482414.db2.gz JLUIXVDBZGIXOD-LBPRGKRZSA-N 2 0 243.351 -0.048 20 0 BBADRP CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000629595766 361483883 /nfs/dbraw/zinc/48/38/83/361483883.db2.gz XBIUEFXMUNZABV-JTQLQIEISA-N 2 0 249.380 -0.404 20 0 BBADRP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000629595767 361483439 /nfs/dbraw/zinc/48/34/39/361483439.db2.gz XBIUEFXMUNZABV-SNVBAGLBSA-N 2 0 249.380 -0.404 20 0 BBADRP C/C=C/C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000629603983 361493503 /nfs/dbraw/zinc/49/35/03/361493503.db2.gz RXPVDFHADWGTCW-AAOUONPWSA-N 2 0 227.352 -0.240 20 0 BBADRP C/C=C\C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000629603984 361493793 /nfs/dbraw/zinc/49/37/93/361493793.db2.gz RXPVDFHADWGTCW-MVZIDQBPSA-N 2 0 227.352 -0.240 20 0 BBADRP C/C=C/C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000629603985 361493422 /nfs/dbraw/zinc/49/34/22/361493422.db2.gz RXPVDFHADWGTCW-PCAWENJQSA-N 2 0 227.352 -0.240 20 0 BBADRP C/C=C\C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000629603986 361493776 /nfs/dbraw/zinc/49/37/76/361493776.db2.gz RXPVDFHADWGTCW-VSQXVHSFSA-N 2 0 227.352 -0.240 20 0 BBADRP O[C@H](C[NH2+]C[C@@H]1C[C@H](O)C1)C[NH+]1CCCC1 ZINC000629607940 361494610 /nfs/dbraw/zinc/49/46/10/361494610.db2.gz SYDOGPNVHNLUSA-GRYCIOLGSA-N 2 0 228.336 -0.196 20 0 BBADRP O[C@@H](C[NH2+]C[C@@H]1C[C@H](O)C1)C[NH+]1CCCC1 ZINC000629607941 361494878 /nfs/dbraw/zinc/49/48/78/361494878.db2.gz SYDOGPNVHNLUSA-TUAOUCFPSA-N 2 0 228.336 -0.196 20 0 BBADRP O[C@H](C[NH2+][C@@H]1CCOC[C@H]1O)C[NH+]1CCCC1 ZINC000629608046 361495540 /nfs/dbraw/zinc/49/55/40/361495540.db2.gz CJMZULMYVKXBEF-IJLUTSLNSA-N 2 0 244.335 -0.818 20 0 BBADRP CC[C@H](C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000629611217 361501294 /nfs/dbraw/zinc/50/12/94/361501294.db2.gz QJDQXVSWRQGFKK-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP CC[C@@H](C(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000629611220 361501204 /nfs/dbraw/zinc/50/12/04/361501204.db2.gz QJDQXVSWRQGFKK-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP CC[C@@H](C(=O)NCC[NH2+]CCOC)[NH+](C)C ZINC000629611853 361502622 /nfs/dbraw/zinc/50/26/22/361502622.db2.gz IBRRYRJGHFKOOP-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CC[C@H](C(=O)NCC[NH2+]CCOC)[NH+](C)C ZINC000629611854 361502064 /nfs/dbraw/zinc/50/20/64/361502064.db2.gz IBRRYRJGHFKOOP-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP CC[C@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000629612003 361502640 /nfs/dbraw/zinc/50/26/40/361502640.db2.gz OIHJYDSNANYSKI-AXFHLTTASA-N 2 0 243.351 -0.099 20 0 BBADRP CC[C@H](C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000629612004 361502118 /nfs/dbraw/zinc/50/21/18/361502118.db2.gz OIHJYDSNANYSKI-GMTAPVOTSA-N 2 0 243.351 -0.099 20 0 BBADRP CC[C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000629612005 361502367 /nfs/dbraw/zinc/50/23/67/361502367.db2.gz OIHJYDSNANYSKI-HBNTYKKESA-N 2 0 243.351 -0.099 20 0 BBADRP CC[C@H](C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000629612006 361502349 /nfs/dbraw/zinc/50/23/49/361502349.db2.gz OIHJYDSNANYSKI-MXWKQRLJSA-N 2 0 243.351 -0.099 20 0 BBADRP CC[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000629612187 361502690 /nfs/dbraw/zinc/50/26/90/361502690.db2.gz WVMSZWGTDOJIJL-NXEZZACHSA-N 2 0 229.324 -0.487 20 0 BBADRP CC[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629612188 361502796 /nfs/dbraw/zinc/50/27/96/361502796.db2.gz WVMSZWGTDOJIJL-UWVGGRQHSA-N 2 0 229.324 -0.487 20 0 BBADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629612189 361502076 /nfs/dbraw/zinc/50/20/76/361502076.db2.gz WVMSZWGTDOJIJL-VHSXEESVSA-N 2 0 229.324 -0.487 20 0 BBADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000629612190 361502189 /nfs/dbraw/zinc/50/21/89/361502189.db2.gz WVMSZWGTDOJIJL-ZJUUUORDSA-N 2 0 229.324 -0.487 20 0 BBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000629613269 361507619 /nfs/dbraw/zinc/50/76/19/361507619.db2.gz NZMPNBXHJPGARR-QCLAVDOMSA-N 2 0 211.309 -0.339 20 0 BBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000629613270 361507872 /nfs/dbraw/zinc/50/78/72/361507872.db2.gz NZMPNBXHJPGARR-RGOKHQFPSA-N 2 0 211.309 -0.339 20 0 BBADRP CC[C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000629613533 361507774 /nfs/dbraw/zinc/50/77/74/361507774.db2.gz CAKCHWCXNHMFQD-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000629613534 361507753 /nfs/dbraw/zinc/50/77/53/361507753.db2.gz CAKCHWCXNHMFQD-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP CC[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000629613535 361507482 /nfs/dbraw/zinc/50/74/82/361507482.db2.gz CAKCHWCXNHMFQD-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000629613536 361507763 /nfs/dbraw/zinc/50/77/63/361507763.db2.gz CAKCHWCXNHMFQD-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000629614097 387714065 /nfs/dbraw/zinc/71/40/65/387714065.db2.gz YCDLANHGVGILDB-JTQLQIEISA-N 2 0 241.335 -0.473 20 0 BBADRP CC[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000629614098 387714351 /nfs/dbraw/zinc/71/43/51/387714351.db2.gz YCDLANHGVGILDB-SNVBAGLBSA-N 2 0 241.335 -0.473 20 0 BBADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000629614277 387716245 /nfs/dbraw/zinc/71/62/45/387716245.db2.gz GBXUXXJTPITOIJ-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000629614278 387716142 /nfs/dbraw/zinc/71/61/42/387716142.db2.gz GBXUXXJTPITOIJ-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629614279 387717355 /nfs/dbraw/zinc/71/73/55/387717355.db2.gz GBXUXXJTPITOIJ-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629614280 387716640 /nfs/dbraw/zinc/71/66/40/387716640.db2.gz GBXUXXJTPITOIJ-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP C1=C(C[NH2+]CCN2CC[NH2+]CC2)COCC1 ZINC000629647643 361537674 /nfs/dbraw/zinc/53/76/74/361537674.db2.gz CUZYQLUZKOOVEH-UHFFFAOYSA-N 2 0 225.336 -0.172 20 0 BBADRP CCN(CC[NH3+])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629651021 361556137 /nfs/dbraw/zinc/55/61/37/361556137.db2.gz HDHXLAPUGOQILC-LLVKDONJSA-N 2 0 242.367 -0.536 20 0 BBADRP CCN(CC[NH3+])C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000629651023 361555870 /nfs/dbraw/zinc/55/58/70/361555870.db2.gz HDHXLAPUGOQILC-NSHDSACASA-N 2 0 242.367 -0.536 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CC1(C[NH3+])CC1 ZINC000629652673 361551133 /nfs/dbraw/zinc/55/11/33/361551133.db2.gz BWVLANLCEZJOEJ-UHFFFAOYSA-N 3 0 215.341 -0.107 20 0 BBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2CCC[NH2+]C2)n1 ZINC000629653961 361554102 /nfs/dbraw/zinc/55/41/02/361554102.db2.gz SLVWDPXXZKHPAW-MRVPVSSYSA-N 2 0 237.307 -0.518 20 0 BBADRP [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2CCC[NH2+]C2)n1 ZINC000629653962 361554263 /nfs/dbraw/zinc/55/42/63/361554263.db2.gz SLVWDPXXZKHPAW-QMMMGPOBSA-N 2 0 237.307 -0.518 20 0 BBADRP C[NH2+]CCOCCN(C)CC(C)(C)[NH3+] ZINC000629654245 361554073 /nfs/dbraw/zinc/55/40/73/361554073.db2.gz ONKBFPAZTGKPLZ-UHFFFAOYSA-N 2 0 203.330 -0.109 20 0 BBADRP C[NH2+]CCOCCN(C)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000629654878 361558680 /nfs/dbraw/zinc/55/86/80/361558680.db2.gz TVXSRSVLQJZGAE-NEPJUHHUSA-N 2 0 227.352 -0.236 20 0 BBADRP C[NH2+]CCOCCN(C)C[C@]12C[C@H]1C[NH2+]C2 ZINC000629654880 361559062 /nfs/dbraw/zinc/55/90/62/361559062.db2.gz TVXSRSVLQJZGAE-NWDGAFQWSA-N 2 0 227.352 -0.236 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](NC[C@H]2COCC[NH2+]2)C1 ZINC000629657830 361561215 /nfs/dbraw/zinc/56/12/15/361561215.db2.gz BLMNBZNBGBJQBS-AXFHLTTASA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2COCC[NH2+]2)C1 ZINC000629657831 361561152 /nfs/dbraw/zinc/56/11/52/361561152.db2.gz BLMNBZNBGBJQBS-DCAQKATOSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2COCC[NH2+]2)C1 ZINC000629657832 361561730 /nfs/dbraw/zinc/56/17/30/361561730.db2.gz BLMNBZNBGBJQBS-GARJFASQSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2COCC[NH2+]2)C1 ZINC000629657833 361561079 /nfs/dbraw/zinc/56/10/79/361561079.db2.gz BLMNBZNBGBJQBS-HBNTYKKESA-N 2 0 213.325 -0.438 20 0 BBADRP CC(C)(C)[NH2+]CCNC[C@H]1COCC[NH2+]1 ZINC000629658914 361562595 /nfs/dbraw/zinc/56/25/95/361562595.db2.gz QKWYAGXOICMBSE-JTQLQIEISA-N 2 0 215.341 -0.048 20 0 BBADRP CC(C)(C)[NH2+]CCNC[C@@H]1COCC[NH2+]1 ZINC000629658915 361562377 /nfs/dbraw/zinc/56/23/77/361562377.db2.gz QKWYAGXOICMBSE-SNVBAGLBSA-N 2 0 215.341 -0.048 20 0 BBADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]1COCC[NH2+]1 ZINC000629659152 361562068 /nfs/dbraw/zinc/56/20/68/361562068.db2.gz TYQQOSMGVZYCRK-GHMZBOCLSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)C[C@@H]([NH3+])CNC[C@H]1COCC[NH2+]1 ZINC000629659153 361562193 /nfs/dbraw/zinc/56/21/93/361562193.db2.gz TYQQOSMGVZYCRK-MNOVXSKESA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)C[C@H]([NH3+])CNC[C@H]1COCC[NH2+]1 ZINC000629659154 361562710 /nfs/dbraw/zinc/56/27/10/361562710.db2.gz TYQQOSMGVZYCRK-QWRGUYRKSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)C[C@H]([NH3+])CNC[C@@H]1COCC[NH2+]1 ZINC000629659155 361562552 /nfs/dbraw/zinc/56/25/52/361562552.db2.gz TYQQOSMGVZYCRK-WDEREUQCSA-N 2 0 215.341 -0.062 20 0 BBADRP [NH3+]CCCOCC[NH2+]CC1CC[NH2+]CC1 ZINC000629660193 361564150 /nfs/dbraw/zinc/56/41/50/361564150.db2.gz PTHQKKWLPAICRG-UHFFFAOYSA-N 3 0 215.341 -0.059 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000629665011 361587825 /nfs/dbraw/zinc/58/78/25/361587825.db2.gz MWXBTZSKENRDRJ-LLVKDONJSA-N 3 0 215.341 -0.107 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000629665019 361587508 /nfs/dbraw/zinc/58/75/08/361587508.db2.gz MWXBTZSKENRDRJ-NSHDSACASA-N 3 0 215.341 -0.107 20 0 BBADRP CN(CCOCC[NH3+])C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000629665145 361587388 /nfs/dbraw/zinc/58/73/88/361587388.db2.gz NWRYGQNDDSSOOE-MNOVXSKESA-N 2 0 213.325 -0.497 20 0 BBADRP CN(CCOCC[NH3+])C[C@]12C[C@H]1C[NH2+]C2 ZINC000629665696 361587654 /nfs/dbraw/zinc/58/76/54/361587654.db2.gz NWRYGQNDDSSOOE-WDEREUQCSA-N 2 0 213.325 -0.497 20 0 BBADRP C[N@H+](CCOCC[NH3+])CC1(C[NH3+])CC1 ZINC000629665872 361587779 /nfs/dbraw/zinc/58/77/79/361587779.db2.gz QLZFOZYQLNKGQQ-UHFFFAOYSA-N 3 0 201.314 -0.368 20 0 BBADRP Cn1cncc1C[NH2+]CCOCCC[NH3+] ZINC000629677741 361601118 /nfs/dbraw/zinc/60/11/18/361601118.db2.gz GEORCZHAKMRDJR-UHFFFAOYSA-N 2 0 212.297 -0.125 20 0 BBADRP C[C@H]1C[NH2+]C[C@H](NCCOCCC[NH3+])C1 ZINC000629678862 361600273 /nfs/dbraw/zinc/60/02/73/361600273.db2.gz MIOKRYDEVZWTGI-GHMZBOCLSA-N 2 0 215.341 -0.061 20 0 BBADRP C[C@H]1C[NH2+]C[C@@H](NCCOCCC[NH3+])C1 ZINC000629678863 361600220 /nfs/dbraw/zinc/60/02/20/361600220.db2.gz MIOKRYDEVZWTGI-MNOVXSKESA-N 2 0 215.341 -0.061 20 0 BBADRP C[C@@H]1C[NH2+]C[C@@H](NCCOCCC[NH3+])C1 ZINC000629678864 361600723 /nfs/dbraw/zinc/60/07/23/361600723.db2.gz MIOKRYDEVZWTGI-QWRGUYRKSA-N 2 0 215.341 -0.061 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](NCCOCCC[NH3+])C1 ZINC000629678865 361600336 /nfs/dbraw/zinc/60/03/36/361600336.db2.gz MIOKRYDEVZWTGI-WDEREUQCSA-N 2 0 215.341 -0.061 20 0 BBADRP [NH3+]CCCOCC[NH2+]CC1(C[NH3+])CC1 ZINC000629679702 361600969 /nfs/dbraw/zinc/60/09/69/361600969.db2.gz MTOWWSUWXFAKIO-UHFFFAOYSA-N 3 0 201.314 -0.320 20 0 BBADRP C[C@@]1(C[NH2+]CCOCCC[NH3+])CC[NH2+]C1 ZINC000629679726 361602059 /nfs/dbraw/zinc/60/20/59/361602059.db2.gz NEINTLXTMZXUBY-LLVKDONJSA-N 3 0 215.341 -0.059 20 0 BBADRP C[C@]1(C[NH2+]CCOCCC[NH3+])CC[NH2+]C1 ZINC000629679727 361601797 /nfs/dbraw/zinc/60/17/97/361601797.db2.gz NEINTLXTMZXUBY-NSHDSACASA-N 3 0 215.341 -0.059 20 0 BBADRP [NH3+]CCCOCC[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000629681645 361603066 /nfs/dbraw/zinc/60/30/66/361603066.db2.gz SHNHVNWHTABFEJ-GHMZBOCLSA-N 3 0 213.325 -0.449 20 0 BBADRP [NH3+]CCCOCC[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000629681647 361602812 /nfs/dbraw/zinc/60/28/12/361602812.db2.gz SHNHVNWHTABFEJ-QWRGUYRKSA-N 3 0 213.325 -0.449 20 0 BBADRP [NH3+]CCCOCCN[C@H]1CCC[NH2+]C1 ZINC000629681774 361602900 /nfs/dbraw/zinc/60/29/00/361602900.db2.gz UMBSYBVPINEXCX-JTQLQIEISA-N 2 0 201.314 -0.307 20 0 BBADRP [NH3+]CCCOCCN[C@@H]1CCC[NH2+]C1 ZINC000629681778 361602715 /nfs/dbraw/zinc/60/27/15/361602715.db2.gz UMBSYBVPINEXCX-SNVBAGLBSA-N 2 0 201.314 -0.307 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629912432 361766295 /nfs/dbraw/zinc/76/62/95/361766295.db2.gz HGDBPXOZOTULBA-NSHDSACASA-N 2 0 243.351 -0.491 20 0 BBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629912947 361767105 /nfs/dbraw/zinc/76/71/05/361767105.db2.gz CGOCEGBMMYIXBM-QWRGUYRKSA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629912948 361766564 /nfs/dbraw/zinc/76/65/64/361766564.db2.gz CGOCEGBMMYIXBM-WDEREUQCSA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629912969 361767013 /nfs/dbraw/zinc/76/70/13/361767013.db2.gz DBKUUNFEQPHCQP-MNOVXSKESA-N 2 0 241.335 -0.879 20 0 BBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629912970 361766163 /nfs/dbraw/zinc/76/61/63/361766163.db2.gz DBKUUNFEQPHCQP-QWRGUYRKSA-N 2 0 241.335 -0.879 20 0 BBADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629913168 361769789 /nfs/dbraw/zinc/76/97/89/361769789.db2.gz HOLUFWSWNUIOCA-NSHDSACASA-N 2 0 243.351 -0.489 20 0 BBADRP C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629913275 361769588 /nfs/dbraw/zinc/76/95/88/361769588.db2.gz BMMWUBOIVLEFDW-UWVGGRQHSA-N 2 0 229.324 -0.881 20 0 BBADRP CC[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629915606 361770834 /nfs/dbraw/zinc/77/08/34/361770834.db2.gz XKKYLUMVXWTQKO-QWRGUYRKSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000629915608 361770354 /nfs/dbraw/zinc/77/03/54/361770354.db2.gz XKKYLUMVXWTQKO-WDEREUQCSA-N 2 0 243.351 -0.491 20 0 BBADRP FC1(C[NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000630343551 364065118 /nfs/dbraw/zinc/06/51/18/364065118.db2.gz BYKUQRRNSAHNLW-UHFFFAOYSA-N 2 0 201.289 -0.017 20 0 BBADRP CO[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@@](C)(C[NH3+])C1 ZINC000630361103 364080614 /nfs/dbraw/zinc/08/06/14/364080614.db2.gz LPHCEDXMKMVKAT-CKYFFXLPSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@](C)(C[NH3+])C1 ZINC000630361106 364080750 /nfs/dbraw/zinc/08/07/50/364080750.db2.gz LPHCEDXMKMVKAT-FOGDFJRCSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@@](C)(C[NH3+])C1 ZINC000630361107 364080357 /nfs/dbraw/zinc/08/03/57/364080357.db2.gz LPHCEDXMKMVKAT-HOSYDEDBSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)[C@](C)(C[NH3+])C1 ZINC000630361108 364080493 /nfs/dbraw/zinc/08/04/93/364080493.db2.gz LPHCEDXMKMVKAT-UMNHJUIQSA-N 2 0 241.335 -0.297 20 0 BBADRP CN1C2(CCC2)COC[C@]1(CO)CNC(N)=[NH2+] ZINC000630387561 364101691 /nfs/dbraw/zinc/10/16/91/364101691.db2.gz TTYSRZNJINXJQR-LLVKDONJSA-N 2 0 242.323 -0.915 20 0 BBADRP CN1C2(CCC2)COC[C@@]1(CO)CNC(N)=[NH2+] ZINC000630387564 364102512 /nfs/dbraw/zinc/10/25/12/364102512.db2.gz TTYSRZNJINXJQR-NSHDSACASA-N 2 0 242.323 -0.915 20 0 BBADRP [NH3+]CCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630584847 364291795 /nfs/dbraw/zinc/29/17/95/364291795.db2.gz DCRHGEZYAHSGCV-SECBINFHSA-N 2 0 209.297 -0.221 20 0 BBADRP [NH3+]CCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630584848 364291906 /nfs/dbraw/zinc/29/19/06/364291906.db2.gz DCRHGEZYAHSGCV-VIFPVBQESA-N 2 0 209.297 -0.221 20 0 BBADRP C[C@H](C[NH3+])n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630592436 364306774 /nfs/dbraw/zinc/30/67/74/364306774.db2.gz PUJCHFDIBFGLEL-BDAKNGLRSA-N 2 0 209.297 -0.050 20 0 BBADRP C[C@@H](C[NH3+])n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630592437 364306868 /nfs/dbraw/zinc/30/68/68/364306868.db2.gz PUJCHFDIBFGLEL-DTWKUNHWSA-N 2 0 209.297 -0.050 20 0 BBADRP C[C@@H](C[NH3+])n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630592438 364306998 /nfs/dbraw/zinc/30/69/98/364306998.db2.gz PUJCHFDIBFGLEL-IUCAKERBSA-N 2 0 209.297 -0.050 20 0 BBADRP C[C@H](C[NH3+])n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630592439 364307195 /nfs/dbraw/zinc/30/71/95/364307195.db2.gz PUJCHFDIBFGLEL-RKDXNWHRSA-N 2 0 209.297 -0.050 20 0 BBADRP C[C@H]([NH3+])Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630592551 364298806 /nfs/dbraw/zinc/29/88/06/364298806.db2.gz SZCWNSMYXGXLSD-DTWKUNHWSA-N 2 0 209.297 -0.223 20 0 BBADRP C[C@H]([NH3+])Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630592552 364299055 /nfs/dbraw/zinc/29/90/55/364299055.db2.gz SZCWNSMYXGXLSD-IUCAKERBSA-N 2 0 209.297 -0.223 20 0 BBADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000630595459 364308118 /nfs/dbraw/zinc/30/81/18/364308118.db2.gz DGZIHRRDSUTDIE-GXSJLCMTSA-N 2 0 221.308 -0.036 20 0 BBADRP c1c(C[C@H]2CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC000630595461 364308415 /nfs/dbraw/zinc/30/84/15/364308415.db2.gz DGZIHRRDSUTDIE-KOLCDFICSA-N 2 0 221.308 -0.036 20 0 BBADRP c1c(C[C@H]2CC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000630595462 364308482 /nfs/dbraw/zinc/30/84/82/364308482.db2.gz DGZIHRRDSUTDIE-MWLCHTKSSA-N 2 0 221.308 -0.036 20 0 BBADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC000630595463 364308171 /nfs/dbraw/zinc/30/81/71/364308171.db2.gz DGZIHRRDSUTDIE-ONGXEEELSA-N 2 0 221.308 -0.036 20 0 BBADRP C[C@@H]([NH3+])Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630595893 364309537 /nfs/dbraw/zinc/30/95/37/364309537.db2.gz SZCWNSMYXGXLSD-BDAKNGLRSA-N 2 0 209.297 -0.223 20 0 BBADRP C[C@@H]([NH3+])Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630595895 364310361 /nfs/dbraw/zinc/31/03/61/364310361.db2.gz SZCWNSMYXGXLSD-RKDXNWHRSA-N 2 0 209.297 -0.223 20 0 BBADRP [NH3+]CCCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605755 364336194 /nfs/dbraw/zinc/33/61/94/364336194.db2.gz OUZVPGVOIXVVOV-SECBINFHSA-N 2 0 209.297 -0.079 20 0 BBADRP [NH3+]CCCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605756 364336449 /nfs/dbraw/zinc/33/64/49/364336449.db2.gz OUZVPGVOIXVVOV-VIFPVBQESA-N 2 0 209.297 -0.079 20 0 BBADRP C[NH2+]C(C)(C)c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630616087 364351462 /nfs/dbraw/zinc/35/14/62/364351462.db2.gz FNSRPSIOCYFBGY-SECBINFHSA-N 2 0 239.323 -0.279 20 0 BBADRP C[NH2+]C(C)(C)c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630616088 364351749 /nfs/dbraw/zinc/35/17/49/364351749.db2.gz FNSRPSIOCYFBGY-VIFPVBQESA-N 2 0 239.323 -0.279 20 0 BBADRP CC[C@@](C)([NH3+])c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630616426 364350496 /nfs/dbraw/zinc/35/04/96/364350496.db2.gz KARDUHYSCDEMBE-GXSJLCMTSA-N 2 0 239.323 -0.150 20 0 BBADRP CC[C@](C)([NH3+])c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630616428 364350382 /nfs/dbraw/zinc/35/03/82/364350382.db2.gz KARDUHYSCDEMBE-KOLCDFICSA-N 2 0 239.323 -0.150 20 0 BBADRP CC[C@@](C)([NH3+])c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630616430 364350525 /nfs/dbraw/zinc/35/05/25/364350525.db2.gz KARDUHYSCDEMBE-MWLCHTKSSA-N 2 0 239.323 -0.150 20 0 BBADRP CC[C@](C)([NH3+])c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630616432 364350077 /nfs/dbraw/zinc/35/00/77/364350077.db2.gz KARDUHYSCDEMBE-ONGXEEELSA-N 2 0 239.323 -0.150 20 0 BBADRP [NH3+]CCOCc1cn(CC[NH+]2CCCC2)nn1 ZINC000630617718 364353130 /nfs/dbraw/zinc/35/31/30/364353130.db2.gz GVPNJYZCUVTJKP-UHFFFAOYSA-N 2 0 239.323 -0.151 20 0 BBADRP CC(C)[C@@H]([NH3+])c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630617926 364360133 /nfs/dbraw/zinc/36/01/33/364360133.db2.gz ZGXGGLOFXZLMSA-GXSJLCMTSA-N 2 0 239.323 -0.078 20 0 BBADRP CC(C)[C@H]([NH3+])c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630617927 364360628 /nfs/dbraw/zinc/36/06/28/364360628.db2.gz ZGXGGLOFXZLMSA-KOLCDFICSA-N 2 0 239.323 -0.078 20 0 BBADRP CC(C)[C@@H]([NH3+])c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630617928 364360362 /nfs/dbraw/zinc/36/03/62/364360362.db2.gz ZGXGGLOFXZLMSA-MWLCHTKSSA-N 2 0 239.323 -0.078 20 0 BBADRP CC(C)[C@H]([NH3+])c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630617929 364360534 /nfs/dbraw/zinc/36/05/34/364360534.db2.gz ZGXGGLOFXZLMSA-ONGXEEELSA-N 2 0 239.323 -0.078 20 0 BBADRP O=c1ccc(C[NH2+]CCN2CC[C@H](O)C2)c[nH]1 ZINC000631184728 358474551 /nfs/dbraw/zinc/47/45/51/358474551.db2.gz FVAQQHDZCQOYJL-NSHDSACASA-N 2 0 237.303 -0.057 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)C[C@@H]2C1 ZINC000631327514 372296892 /nfs/dbraw/zinc/29/68/92/372296892.db2.gz QIMLHIBABBYJKR-SFYZADRCSA-N 2 0 249.322 -0.915 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NCC[NH+](C)C ZINC000631638373 351346539 /nfs/dbraw/zinc/34/65/39/351346539.db2.gz BKKBFXMAJVNBTR-UHFFFAOYSA-N 2 0 237.369 -0.581 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@H+](C)C1 ZINC000631786194 372573405 /nfs/dbraw/zinc/57/34/05/372573405.db2.gz STECZKWPVJLXAJ-JTQLQIEISA-N 2 0 249.380 -0.438 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000631786195 372573527 /nfs/dbraw/zinc/57/35/27/372573527.db2.gz STECZKWPVJLXAJ-SNVBAGLBSA-N 2 0 249.380 -0.438 20 0 BBADRP c1nc2n(n1)[C@H](C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000631825740 372603324 /nfs/dbraw/zinc/60/33/24/372603324.db2.gz RRUQMNLQRCNWQT-AXFHLTTASA-N 2 0 233.319 -0.083 20 0 BBADRP c1nc2n(n1)[C@@H](C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000631825741 372604535 /nfs/dbraw/zinc/60/45/35/372604535.db2.gz RRUQMNLQRCNWQT-OUAUKWLOSA-N 2 0 233.319 -0.083 20 0 BBADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000631827563 372607707 /nfs/dbraw/zinc/60/77/07/372607707.db2.gz QLZIYRABZVHOHL-AEJSXWLSSA-N 2 0 202.298 -0.337 20 0 BBADRP C[C@@H]1OCC[C@H]1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000631827564 372607436 /nfs/dbraw/zinc/60/74/36/372607436.db2.gz QLZIYRABZVHOHL-GUBZILKMSA-N 2 0 202.298 -0.337 20 0 BBADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000631827565 372605745 /nfs/dbraw/zinc/60/57/45/372605745.db2.gz QLZIYRABZVHOHL-IVZWLZJFSA-N 2 0 202.298 -0.337 20 0 BBADRP C[C@@H]1OCC[C@H]1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000631827566 372606141 /nfs/dbraw/zinc/60/61/41/372606141.db2.gz QLZIYRABZVHOHL-LPEHRKFASA-N 2 0 202.298 -0.337 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCc2ncnn21 ZINC000631830422 372612723 /nfs/dbraw/zinc/61/27/23/372612723.db2.gz RKVSGJFVKNADIA-JTQLQIEISA-N 2 0 239.323 -0.328 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCc2ncnn21 ZINC000631830423 372613416 /nfs/dbraw/zinc/61/34/16/372613416.db2.gz RKVSGJFVKNADIA-SNVBAGLBSA-N 2 0 239.323 -0.328 20 0 BBADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000631837160 372627924 /nfs/dbraw/zinc/62/79/24/372627924.db2.gz NQXSYTDNFMGOFU-NXEZZACHSA-N 2 0 209.297 -0.195 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000631837252 372626931 /nfs/dbraw/zinc/62/69/31/372626931.db2.gz PUMGLBVDFYFTOU-GMTAPVOTSA-N 2 0 213.325 -0.499 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000631837253 372627778 /nfs/dbraw/zinc/62/77/78/372627778.db2.gz PUMGLBVDFYFTOU-MXWKQRLJSA-N 2 0 213.325 -0.499 20 0 BBADRP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000631837318 372627445 /nfs/dbraw/zinc/62/74/45/372627445.db2.gz ALTGZPGBHNIXGT-NXEZZACHSA-N 3 0 201.314 -0.512 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837808 372629495 /nfs/dbraw/zinc/62/94/95/372629495.db2.gz XGMRDLQLUPIUEN-MXWKQRLJSA-N 2 0 215.341 -0.517 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000631838335 372631838 /nfs/dbraw/zinc/63/18/38/372631838.db2.gz MMDMEPJPUOPUOC-BBBLOLIVSA-N 2 0 211.309 -0.256 20 0 BBADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000631838337 372625758 /nfs/dbraw/zinc/62/57/58/372625758.db2.gz MMDMEPJPUOPUOC-OPRDCNLKSA-N 2 0 211.309 -0.256 20 0 BBADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838550 372631894 /nfs/dbraw/zinc/63/18/94/372631894.db2.gz QGRSDNWGHAWNOQ-VXGBXAGGSA-N 3 0 226.368 -0.582 20 0 BBADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838580 372632102 /nfs/dbraw/zinc/63/21/02/372632102.db2.gz QRJVCYBJDKTEHQ-KXUCPTDWSA-N 2 0 213.325 -0.010 20 0 BBADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838581 372632380 /nfs/dbraw/zinc/63/23/80/372632380.db2.gz QRJVCYBJDKTEHQ-OPRDCNLKSA-N 2 0 213.325 -0.010 20 0 BBADRP C[C@@H]1C[N@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000631838616 372634534 /nfs/dbraw/zinc/63/45/34/372634534.db2.gz RJYABOKFZAMFDQ-NXEZZACHSA-N 2 0 213.325 -0.009 20 0 BBADRP CNS(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839548 372635384 /nfs/dbraw/zinc/63/53/84/372635384.db2.gz HQSFAKMGRUKKLP-NXEZZACHSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@H]1C[N@H+](CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631839775 372636746 /nfs/dbraw/zinc/63/67/46/372636746.db2.gz KRWXUHBZBLWYEE-NWDGAFQWSA-N 2 0 227.352 -0.155 20 0 BBADRP C[C@@H]1C[N@H+](CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631839777 372635569 /nfs/dbraw/zinc/63/55/69/372635569.db2.gz KRWXUHBZBLWYEE-VXGBXAGGSA-N 2 0 227.352 -0.155 20 0 BBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C[NH3+] ZINC000631841890 372638048 /nfs/dbraw/zinc/63/80/48/372638048.db2.gz RLPTYBONXKQFHY-RKDXNWHRSA-N 2 0 240.307 -0.935 20 0 BBADRP C([C@@H]1CCC2(C[NH2+]C2)O1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631848076 372645137 /nfs/dbraw/zinc/64/51/37/372645137.db2.gz MDNKMLXGYCFVGE-DCAQKATOSA-N 2 0 223.320 -0.447 20 0 BBADRP C([C@H]1CCC2(C[NH2+]C2)O1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631848077 372644877 /nfs/dbraw/zinc/64/48/77/372644877.db2.gz MDNKMLXGYCFVGE-GARJFASQSA-N 2 0 223.320 -0.447 20 0 BBADRP CC(C)([NH3+])c1noc(CN2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC000631851713 372649868 /nfs/dbraw/zinc/64/98/68/372649868.db2.gz LWBXYGCVLVZTTM-YUMQZZPRSA-N 2 0 237.307 -0.191 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852458 372652366 /nfs/dbraw/zinc/65/23/66/372652366.db2.gz QQRJQRXOFOXQPT-AXFHLTTASA-N 2 0 211.309 -0.589 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852459 372652457 /nfs/dbraw/zinc/65/24/57/372652457.db2.gz QQRJQRXOFOXQPT-OUAUKWLOSA-N 2 0 211.309 -0.589 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852496 372642865 /nfs/dbraw/zinc/64/28/65/372642865.db2.gz SBPSGHTWHKHJCU-AXFHLTTASA-N 2 0 213.325 -0.607 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852497 372643310 /nfs/dbraw/zinc/64/33/10/372643310.db2.gz SBPSGHTWHKHJCU-OUAUKWLOSA-N 2 0 213.325 -0.607 20 0 BBADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000631852694 372652544 /nfs/dbraw/zinc/65/25/44/372652544.db2.gz AWRRHGBAIHWLKS-TXEJJXNPSA-N 2 0 224.352 -0.672 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1CCN1CC[NH2+]CC1 ZINC000631859859 372658501 /nfs/dbraw/zinc/65/85/01/372658501.db2.gz FHHDMBOUIBRPQF-GHMZBOCLSA-N 2 0 212.341 -0.687 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1CCN1CC[NH2+]CC1 ZINC000631859860 372658218 /nfs/dbraw/zinc/65/82/18/372658218.db2.gz FHHDMBOUIBRPQF-MNOVXSKESA-N 2 0 212.341 -0.687 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1CCN1CC[NH2+]CC1 ZINC000631859861 372658448 /nfs/dbraw/zinc/65/84/48/372658448.db2.gz FHHDMBOUIBRPQF-QWRGUYRKSA-N 2 0 212.341 -0.687 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1CCN1CC[NH2+]CC1 ZINC000631859862 372658543 /nfs/dbraw/zinc/65/85/43/372658543.db2.gz FHHDMBOUIBRPQF-WDEREUQCSA-N 2 0 212.341 -0.687 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1CCC(=O)N1CC[NH2+]CC1 ZINC000631861162 369469656 /nfs/dbraw/zinc/46/96/56/369469656.db2.gz WQHSYQDFGFAZNE-GHMZBOCLSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1CCC(=O)N1CC[NH2+]CC1 ZINC000631861163 369469342 /nfs/dbraw/zinc/46/93/42/369469342.db2.gz WQHSYQDFGFAZNE-MNOVXSKESA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1CCC(=O)N1CC[NH2+]CC1 ZINC000631861164 369470084 /nfs/dbraw/zinc/47/00/84/369470084.db2.gz WQHSYQDFGFAZNE-QWRGUYRKSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1CCC(=O)N1CC[NH2+]CC1 ZINC000631861165 369469553 /nfs/dbraw/zinc/46/95/53/369469553.db2.gz WQHSYQDFGFAZNE-WDEREUQCSA-N 2 0 240.351 -0.770 20 0 BBADRP C[NH2+]CCCN1CCC([NH2+]CCO)CC1 ZINC000631862543 372665001 /nfs/dbraw/zinc/66/50/01/372665001.db2.gz JVUFIEHSVHIJEY-UHFFFAOYSA-N 2 0 215.341 -0.358 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631863387 369609302 /nfs/dbraw/zinc/60/93/02/369609302.db2.gz ZRGUFRSNVKGRLQ-GMTAPVOTSA-N 2 0 225.336 -0.071 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631863389 369609135 /nfs/dbraw/zinc/60/91/35/369609135.db2.gz ZRGUFRSNVKGRLQ-MXWKQRLJSA-N 2 0 225.336 -0.071 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631863390 369609449 /nfs/dbraw/zinc/60/94/49/369609449.db2.gz ZRGUFRSNVKGRLQ-OUAUKWLOSA-N 2 0 225.336 -0.071 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631863391 369609551 /nfs/dbraw/zinc/60/95/51/369609551.db2.gz ZRGUFRSNVKGRLQ-VWYCJHECSA-N 2 0 225.336 -0.071 20 0 BBADRP C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC000631867072 372667937 /nfs/dbraw/zinc/66/79/37/372667937.db2.gz IOTNGZXNKBZDJX-UTUOFQBUSA-N 2 0 225.336 -0.294 20 0 BBADRP C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000631867073 372667784 /nfs/dbraw/zinc/66/77/84/372667784.db2.gz IOTNGZXNKBZDJX-WOPDTQHZSA-N 2 0 225.336 -0.294 20 0 BBADRP [NH3+]CCOCCN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867752 372669906 /nfs/dbraw/zinc/66/99/06/372669906.db2.gz ICUMMJOFLFKJBX-MNOVXSKESA-N 2 0 213.325 -0.307 20 0 BBADRP C(CN1CC[NH2+]CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867864 372669501 /nfs/dbraw/zinc/66/95/01/372669501.db2.gz MSRIJKSNJUQXPU-OLZOCXBDSA-N 2 0 238.379 -0.377 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000631900118 372688923 /nfs/dbraw/zinc/68/89/23/372688923.db2.gz IDDFZBQWIWNLDK-JTQLQIEISA-N 2 0 249.380 -0.309 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000631900119 372688105 /nfs/dbraw/zinc/68/81/05/372688105.db2.gz IDDFZBQWIWNLDK-SNVBAGLBSA-N 2 0 249.380 -0.309 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NC1CC[NH2+]CC1 ZINC000631900180 372688168 /nfs/dbraw/zinc/68/81/68/372688168.db2.gz JQCXXRPVCDOMIV-UHFFFAOYSA-N 2 0 249.380 -0.391 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NCCC[NH3+] ZINC000631900492 372688057 /nfs/dbraw/zinc/68/80/57/372688057.db2.gz BSPNOVAXOYRUMQ-UHFFFAOYSA-N 2 0 223.342 -0.794 20 0 BBADRP [NH3+]CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631901133 372689070 /nfs/dbraw/zinc/68/90/70/372689070.db2.gz RSVBLRAEMDJIJK-UHFFFAOYSA-N 2 0 249.380 -0.260 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000631901161 372687688 /nfs/dbraw/zinc/68/76/88/372687688.db2.gz SRSUCWWCIHENAK-SECBINFHSA-N 2 0 235.353 -0.699 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[NH2+]CC1 ZINC000631901292 372688750 /nfs/dbraw/zinc/68/87/50/372688750.db2.gz XYPPTYYMAZUFMA-UHFFFAOYSA-N 2 0 249.380 -0.437 20 0 BBADRP C[NH2+][C@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631901331 362905461 /nfs/dbraw/zinc/90/54/61/362905461.db2.gz ZETVMWPACURVSW-JTQLQIEISA-N 2 0 249.380 -0.438 20 0 BBADRP C[NH2+][C@@H]1CCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631901332 362905265 /nfs/dbraw/zinc/90/52/65/362905265.db2.gz ZETVMWPACURVSW-SNVBAGLBSA-N 2 0 249.380 -0.438 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000631901361 372687964 /nfs/dbraw/zinc/68/79/64/372687964.db2.gz ZZXYWQFSEYIKDK-JTQLQIEISA-N 2 0 249.380 -0.391 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000631901362 372688356 /nfs/dbraw/zinc/68/83/56/372688356.db2.gz ZZXYWQFSEYIKDK-SNVBAGLBSA-N 2 0 249.380 -0.391 20 0 BBADRP C[NH2+]CCCNS(=O)(=O)CCC[NH+](C)C ZINC000631901504 372687876 /nfs/dbraw/zinc/68/78/76/372687876.db2.gz FUIQVHGYTKWVMA-UHFFFAOYSA-N 2 0 237.369 -0.533 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000631901975 372690086 /nfs/dbraw/zinc/69/00/86/372690086.db2.gz QRIVPXVBUZAPTR-SECBINFHSA-N 2 0 235.353 -0.781 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000631901976 372690574 /nfs/dbraw/zinc/69/05/74/372690574.db2.gz QRIVPXVBUZAPTR-VIFPVBQESA-N 2 0 235.353 -0.781 20 0 BBADRP C[NH2+]CCNS(=O)(=O)CCC[NH+](C)C ZINC000631902575 362907628 /nfs/dbraw/zinc/90/76/28/362907628.db2.gz LRYUIZCTYJYOBN-UHFFFAOYSA-N 2 0 223.342 -0.923 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000631902702 362908975 /nfs/dbraw/zinc/90/89/75/362908975.db2.gz PADZFXAAKWVNTA-JTQLQIEISA-N 2 0 249.380 -0.452 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000631902703 362909381 /nfs/dbraw/zinc/90/93/81/362909381.db2.gz PADZFXAAKWVNTA-SNVBAGLBSA-N 2 0 249.380 -0.452 20 0 BBADRP C[NH2+]CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631902708 362909065 /nfs/dbraw/zinc/90/90/65/362909065.db2.gz PBZLLRSIGVERSA-UHFFFAOYSA-N 2 0 249.380 -0.389 20 0 BBADRP C[C@H]([NH3+])CCNS(=O)(=O)CCC[NH+](C)C ZINC000631902743 362910029 /nfs/dbraw/zinc/91/00/29/362910029.db2.gz PKCITDSCZLXFHX-VIFPVBQESA-N 2 0 237.369 -0.405 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000631902868 372689041 /nfs/dbraw/zinc/68/90/41/372689041.db2.gz SRSUCWWCIHENAK-VIFPVBQESA-N 2 0 235.353 -0.699 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000631903190 372689745 /nfs/dbraw/zinc/68/97/45/372689745.db2.gz AYWAVJOPLKDFGC-JTQLQIEISA-N 2 0 249.380 -0.391 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000631903191 372690874 /nfs/dbraw/zinc/69/08/74/372690874.db2.gz AYWAVJOPLKDFGC-SNVBAGLBSA-N 2 0 249.380 -0.391 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NCC[NH2+]C1CC1 ZINC000631903259 372689835 /nfs/dbraw/zinc/68/98/35/372689835.db2.gz CYHHVWOPVKWIPU-UHFFFAOYSA-N 2 0 249.380 -0.391 20 0 BBADRP CC[NH2+]CCNS(=O)(=O)CCC[NH+](C)C ZINC000631903543 372690219 /nfs/dbraw/zinc/69/02/19/372690219.db2.gz LRSWHZVINGPYSM-UHFFFAOYSA-N 2 0 237.369 -0.533 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NC(C)(C)C[NH3+] ZINC000631903914 372690282 /nfs/dbraw/zinc/69/02/82/372690282.db2.gz YQYAIEKZMZBUIT-UHFFFAOYSA-N 2 0 237.369 -0.405 20 0 BBADRP O=S(=O)(CCC[NH+]1CCCC1)NC1C[NH2+]C1 ZINC000631904476 372689815 /nfs/dbraw/zinc/68/98/15/372689815.db2.gz OWEUDTOYHKLREX-UHFFFAOYSA-N 2 0 247.364 -0.637 20 0 BBADRP C[C@H](C[NH3+])N(C)S(=O)(=O)CCC[NH+](C)C ZINC000631904562 372691014 /nfs/dbraw/zinc/69/10/14/372691014.db2.gz RMXDWQPBIMSVBX-SECBINFHSA-N 2 0 237.369 -0.453 20 0 BBADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)CCC[NH+](C)C ZINC000631904563 372690502 /nfs/dbraw/zinc/69/05/02/372690502.db2.gz RMXDWQPBIMSVBX-VIFPVBQESA-N 2 0 237.369 -0.453 20 0 BBADRP CN([C@H]1CC[NH2+]C1)S(=O)(=O)CCC[NH+](C)C ZINC000631904778 362916328 /nfs/dbraw/zinc/91/63/28/362916328.db2.gz YKGWOBKLHREQQF-JTQLQIEISA-N 2 0 249.380 -0.438 20 0 BBADRP CN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCC[NH+](C)C ZINC000631904779 362915787 /nfs/dbraw/zinc/91/57/87/362915787.db2.gz YKGWOBKLHREQQF-SNVBAGLBSA-N 2 0 249.380 -0.438 20 0 BBADRP CN(CCC[NH3+])S(=O)(=O)CCC[NH+](C)C ZINC000631905728 362919633 /nfs/dbraw/zinc/91/96/33/362919633.db2.gz UMWLLBIKBXTDHY-UHFFFAOYSA-N 2 0 237.369 -0.452 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000631906153 372692643 /nfs/dbraw/zinc/69/26/43/372692643.db2.gz FGWKZBLYNCGJCW-JTQLQIEISA-N 2 0 249.380 -0.405 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000631906154 372691995 /nfs/dbraw/zinc/69/19/95/372691995.db2.gz FGWKZBLYNCGJCW-SNVBAGLBSA-N 2 0 249.380 -0.405 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000631906911 362921696 /nfs/dbraw/zinc/92/16/96/362921696.db2.gz YOQILMUKXHGTKA-SNVBAGLBSA-N 2 0 249.380 -0.309 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NCC(C)(C)[NH3+] ZINC000631906940 362920511 /nfs/dbraw/zinc/92/05/11/362920511.db2.gz ZDPFOIRZQJUIOR-UHFFFAOYSA-N 2 0 237.369 -0.405 20 0 BBADRP C[C@H](C[NH3+])NS(=O)(=O)CCC[NH+](C)C ZINC000631929453 372697111 /nfs/dbraw/zinc/69/71/11/372697111.db2.gz GIDUXQHALPZCKF-MRVPVSSYSA-N 2 0 223.342 -0.795 20 0 BBADRP C[C@H](C[NH3+])NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631929674 372696996 /nfs/dbraw/zinc/69/69/96/372696996.db2.gz LRTRYJMBNVONON-SNVBAGLBSA-N 2 0 249.380 -0.261 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NCC1([NH3+])CCC1 ZINC000631930012 372697156 /nfs/dbraw/zinc/69/71/56/372697156.db2.gz UQPZVOGONKPYMT-UHFFFAOYSA-N 2 0 249.380 -0.261 20 0 BBADRP C[C@H](C[NH3+])CNS(=O)(=O)CCC[NH+](C)C ZINC000631931351 372697012 /nfs/dbraw/zinc/69/70/12/372697012.db2.gz IUXWJQHTSMQTIS-SECBINFHSA-N 2 0 237.369 -0.548 20 0 BBADRP C[C@@H](C[NH3+])CNS(=O)(=O)CCC[NH+](C)C ZINC000631931352 372697034 /nfs/dbraw/zinc/69/70/34/372697034.db2.gz IUXWJQHTSMQTIS-VIFPVBQESA-N 2 0 237.369 -0.548 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000631931394 372697123 /nfs/dbraw/zinc/69/71/23/372697123.db2.gz JLMPDJKRGOTMGG-KYZUINATSA-N 2 0 235.353 -0.653 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000631931717 362974556 /nfs/dbraw/zinc/97/45/56/362974556.db2.gz MRAULMQKYVKTGU-JTQLQIEISA-N 2 0 249.380 -0.405 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000631931718 362974436 /nfs/dbraw/zinc/97/44/36/362974436.db2.gz MRAULMQKYVKTGU-SNVBAGLBSA-N 2 0 249.380 -0.405 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000631931902 372696848 /nfs/dbraw/zinc/69/68/48/372696848.db2.gz JLMPDJKRGOTMGG-DTORHVGOSA-N 2 0 235.353 -0.653 20 0 BBADRP C[C@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631932767 372696742 /nfs/dbraw/zinc/69/67/42/372696742.db2.gz RIUGNLREQNYXFU-JTQLQIEISA-N 2 0 249.380 -0.261 20 0 BBADRP C[C@@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631932768 372696303 /nfs/dbraw/zinc/69/63/03/372696303.db2.gz RIUGNLREQNYXFU-SNVBAGLBSA-N 2 0 249.380 -0.261 20 0 BBADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@H]1[NH3+] ZINC000631932779 372696798 /nfs/dbraw/zinc/69/67/98/372696798.db2.gz RPKZRRBBYMTPAJ-NXEZZACHSA-N 2 0 249.380 -0.453 20 0 BBADRP C[C@H](CC[NH3+])NS(=O)(=O)CCC[NH+](C)C ZINC000631932811 372696495 /nfs/dbraw/zinc/69/64/95/372696495.db2.gz ZPWHDSOUTPVWLC-SECBINFHSA-N 2 0 237.369 -0.405 20 0 BBADRP C[C@@H](CC[NH3+])NS(=O)(=O)CCC[NH+](C)C ZINC000631932812 372696406 /nfs/dbraw/zinc/69/64/06/372696406.db2.gz ZPWHDSOUTPVWLC-VIFPVBQESA-N 2 0 237.369 -0.405 20 0 BBADRP CN(C1C[NH2+]C1)S(=O)(=O)CCC[NH+](C)C ZINC000631937105 372698785 /nfs/dbraw/zinc/69/87/85/372698785.db2.gz BREQPQMGCQJCQR-UHFFFAOYSA-N 2 0 235.353 -0.829 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000631938565 362995233 /nfs/dbraw/zinc/99/52/33/362995233.db2.gz HGXBCSNEDNIEFT-MYJAWHEDSA-N 2 0 247.364 -0.925 20 0 BBADRP CN(C1CC([NH3+])C1)S(=O)(=O)CCC[NH+](C)C ZINC000631939665 372699676 /nfs/dbraw/zinc/69/96/76/372699676.db2.gz GHTSWDMPVMESFA-UHFFFAOYSA-N 2 0 249.380 -0.311 20 0 BBADRP CC[C@@H]([NH3+])CNS(=O)(=O)CC1(N(C)C)CC1 ZINC000631939830 372698720 /nfs/dbraw/zinc/69/87/20/372698720.db2.gz KKDDBHCXLOKBBF-SECBINFHSA-N 2 0 249.380 -0.263 20 0 BBADRP CC[C@H]([NH3+])CNS(=O)(=O)CC1(N(C)C)CC1 ZINC000631939831 372697982 /nfs/dbraw/zinc/69/79/82/372697982.db2.gz KKDDBHCXLOKBBF-VIFPVBQESA-N 2 0 249.380 -0.263 20 0 BBADRP CC[C@@H]([NH3+])CNS(=O)(=O)CCC[NH+](C)C ZINC000631940085 372700194 /nfs/dbraw/zinc/70/01/94/372700194.db2.gz PFZSTSFDPFRGTA-SECBINFHSA-N 2 0 237.369 -0.405 20 0 BBADRP CC[C@H]([NH3+])CNS(=O)(=O)CCC[NH+](C)C ZINC000631940086 372699304 /nfs/dbraw/zinc/69/93/04/372699304.db2.gz PFZSTSFDPFRGTA-VIFPVBQESA-N 2 0 237.369 -0.405 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631940347 372699818 /nfs/dbraw/zinc/69/98/18/372699818.db2.gz UIPQEURVCRTWJN-BDAKNGLRSA-N 2 0 237.369 -0.407 20 0 BBADRP C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@H](C)[NH3+] ZINC000631940348 372699282 /nfs/dbraw/zinc/69/92/82/372699282.db2.gz UIPQEURVCRTWJN-DTWKUNHWSA-N 2 0 237.369 -0.407 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631940349 372699694 /nfs/dbraw/zinc/69/96/94/372699694.db2.gz UIPQEURVCRTWJN-IUCAKERBSA-N 2 0 237.369 -0.407 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631940350 372700268 /nfs/dbraw/zinc/70/02/68/372700268.db2.gz UIPQEURVCRTWJN-RKDXNWHRSA-N 2 0 237.369 -0.407 20 0 BBADRP CN(CC[NH3+])S(=O)(=O)CCC[NH+](C)C ZINC000631944602 372701411 /nfs/dbraw/zinc/70/14/11/372701411.db2.gz BEURZZONUYTWHX-UHFFFAOYSA-N 2 0 223.342 -0.842 20 0 BBADRP CN(CC[NH3+])S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631944896 372701940 /nfs/dbraw/zinc/70/19/40/372701940.db2.gz KIPLONJCBXVPDM-UHFFFAOYSA-N 2 0 249.380 -0.307 20 0 BBADRP C[NH2+]C[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631952529 372703073 /nfs/dbraw/zinc/70/30/73/372703073.db2.gz LCZLTCUFNBZAOZ-SECBINFHSA-N 2 0 237.369 -0.535 20 0 BBADRP C[NH2+]C[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631952530 372703103 /nfs/dbraw/zinc/70/31/03/372703103.db2.gz LCZLTCUFNBZAOZ-VIFPVBQESA-N 2 0 237.369 -0.535 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000631953823 372703692 /nfs/dbraw/zinc/70/36/92/372703692.db2.gz STNDDJBANLQKSD-JTQLQIEISA-N 2 0 249.380 -0.391 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000631953824 372703037 /nfs/dbraw/zinc/70/30/37/372703037.db2.gz STNDDJBANLQKSD-SNVBAGLBSA-N 2 0 249.380 -0.391 20 0 BBADRP CCN(CC[NH3+])S(=O)(=O)CCC[NH+](C)C ZINC000631954377 372702994 /nfs/dbraw/zinc/70/29/94/372702994.db2.gz JWFAYXBEKYIXSN-UHFFFAOYSA-N 2 0 237.369 -0.452 20 0 BBADRP CCN(CC[NH3+])S(=O)(=O)CC1(N(C)C)CC1 ZINC000631954385 363042604 /nfs/dbraw/zinc/04/26/04/363042604.db2.gz KHZLMNZAYKPFPE-UHFFFAOYSA-N 2 0 249.380 -0.309 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000631958514 372704916 /nfs/dbraw/zinc/70/49/16/372704916.db2.gz VLMZHFPEGFPHIK-VHSXEESVSA-N 2 0 249.380 -0.392 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631969088 372708076 /nfs/dbraw/zinc/70/80/76/372708076.db2.gz OTQSWSWEWGFDIH-UWVGGRQHSA-N 2 0 247.364 -0.686 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CCC[NH+](C)C ZINC000631975307 372710842 /nfs/dbraw/zinc/71/08/42/372710842.db2.gz HRMHUJMWELHUDA-NXEZZACHSA-N 2 0 249.380 -0.311 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)CCC[NH+](C)C ZINC000631975308 372710779 /nfs/dbraw/zinc/71/07/79/372710779.db2.gz HRMHUJMWELHUDA-UWVGGRQHSA-N 2 0 249.380 -0.311 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CCC[NH+](C)C ZINC000631975309 372710884 /nfs/dbraw/zinc/71/08/84/372710884.db2.gz HRMHUJMWELHUDA-VHSXEESVSA-N 2 0 249.380 -0.311 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)CCC[NH+](C)C ZINC000631975310 372710905 /nfs/dbraw/zinc/71/09/05/372710905.db2.gz HRMHUJMWELHUDA-ZJUUUORDSA-N 2 0 249.380 -0.311 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NCCN1CCC1 ZINC000632133428 372774110 /nfs/dbraw/zinc/77/41/10/372774110.db2.gz CKAUIHFHIQMEIA-UHFFFAOYSA-N 2 0 249.380 -0.437 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632854464 373192132 /nfs/dbraw/zinc/19/21/32/373192132.db2.gz GSIZVROBEULPRP-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632854465 373191580 /nfs/dbraw/zinc/19/15/80/373191580.db2.gz GSIZVROBEULPRP-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632854466 373192163 /nfs/dbraw/zinc/19/21/63/373192163.db2.gz GSIZVROBEULPRP-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632854467 373191921 /nfs/dbraw/zinc/19/19/21/373191921.db2.gz GSIZVROBEULPRP-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632854468 373191175 /nfs/dbraw/zinc/19/11/75/373191175.db2.gz GSIZVROBEULPRP-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632854469 373191683 /nfs/dbraw/zinc/19/16/83/373191683.db2.gz GSIZVROBEULPRP-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632854470 373191464 /nfs/dbraw/zinc/19/14/64/373191464.db2.gz GSIZVROBEULPRP-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632854471 373191401 /nfs/dbraw/zinc/19/14/01/373191401.db2.gz GSIZVROBEULPRP-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632855203 373191151 /nfs/dbraw/zinc/19/11/51/373191151.db2.gz PCVOCYRSAJPHSR-NXEZZACHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632855204 373191421 /nfs/dbraw/zinc/19/14/21/373191421.db2.gz PCVOCYRSAJPHSR-UWVGGRQHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632855205 373191115 /nfs/dbraw/zinc/19/11/15/373191115.db2.gz PCVOCYRSAJPHSR-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632855206 373191788 /nfs/dbraw/zinc/19/17/88/373191788.db2.gz PCVOCYRSAJPHSR-ZJUUUORDSA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+]CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632861950 373196801 /nfs/dbraw/zinc/19/68/01/373196801.db2.gz PSJVHEHVKBVKKQ-NXEZZACHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632861951 373196774 /nfs/dbraw/zinc/19/67/74/373196774.db2.gz PSJVHEHVKBVKKQ-UWVGGRQHSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632861952 373197048 /nfs/dbraw/zinc/19/70/48/373197048.db2.gz PSJVHEHVKBVKKQ-VHSXEESVSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632861953 373196451 /nfs/dbraw/zinc/19/64/51/373196451.db2.gz PSJVHEHVKBVKKQ-ZJUUUORDSA-N 2 0 211.309 -0.064 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632875077 373202379 /nfs/dbraw/zinc/20/23/79/373202379.db2.gz IGTGKGACMGIQGB-AXFHLTTASA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632875078 373201943 /nfs/dbraw/zinc/20/19/43/373201943.db2.gz IGTGKGACMGIQGB-GMTAPVOTSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632875079 373202049 /nfs/dbraw/zinc/20/20/49/373202049.db2.gz IGTGKGACMGIQGB-HBNTYKKESA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632875080 373201937 /nfs/dbraw/zinc/20/19/37/373201937.db2.gz IGTGKGACMGIQGB-MXWKQRLJSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@@H](CNC(=O)NCC[NH2+]C1CC1)[NH+](C)C ZINC000633659370 373665304 /nfs/dbraw/zinc/66/53/04/373665304.db2.gz OLZFGJRHPAZTAC-VIFPVBQESA-N 2 0 228.340 -0.012 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000634269422 374083444 /nfs/dbraw/zinc/08/34/44/374083444.db2.gz GPCZUHSJKICGJY-JTQLQIEISA-N 2 0 226.324 -0.257 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000634269427 374083326 /nfs/dbraw/zinc/08/33/26/374083326.db2.gz GPCZUHSJKICGJY-SNVBAGLBSA-N 2 0 226.324 -0.257 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634269723 374083181 /nfs/dbraw/zinc/08/31/81/374083181.db2.gz ICLTYLBKZCGFSF-BDAKNGLRSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634269724 374083675 /nfs/dbraw/zinc/08/36/75/374083675.db2.gz ICLTYLBKZCGFSF-DTWKUNHWSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634269725 374083480 /nfs/dbraw/zinc/08/34/80/374083480.db2.gz ICLTYLBKZCGFSF-IUCAKERBSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634269726 374083176 /nfs/dbraw/zinc/08/31/76/374083176.db2.gz ICLTYLBKZCGFSF-RKDXNWHRSA-N 2 0 214.313 -0.225 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000634269753 374083502 /nfs/dbraw/zinc/08/35/02/374083502.db2.gz ITMFPQUQFKDXHF-UKKRHICBSA-N 2 0 238.335 -0.355 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000634269754 374082928 /nfs/dbraw/zinc/08/29/28/374082928.db2.gz ITMFPQUQFKDXHF-ZNSHCXBVSA-N 2 0 238.335 -0.355 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634271706 374086752 /nfs/dbraw/zinc/08/67/52/374086752.db2.gz VUJYYFUMDQBICV-BDAKNGLRSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634271708 374086523 /nfs/dbraw/zinc/08/65/23/374086523.db2.gz VUJYYFUMDQBICV-RKDXNWHRSA-N 2 0 214.313 -0.225 20 0 BBADRP C[NH2+]CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634272065 374086019 /nfs/dbraw/zinc/08/60/19/374086019.db2.gz YWVWDYDUQMDPDY-SECBINFHSA-N 2 0 214.313 -0.353 20 0 BBADRP C[NH2+]CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634272066 374086322 /nfs/dbraw/zinc/08/63/22/374086322.db2.gz YWVWDYDUQMDPDY-VIFPVBQESA-N 2 0 214.313 -0.353 20 0 BBADRP COC1(C(=O)N(C)[C@H](C)C[NH3+])CC[NH2+]CC1 ZINC000634282134 374091923 /nfs/dbraw/zinc/09/19/23/374091923.db2.gz DSGCFJXTIDBGAO-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP COC1(C(=O)N(C)[C@@H](C)C[NH3+])CC[NH2+]CC1 ZINC000634282135 374091753 /nfs/dbraw/zinc/09/17/53/374091753.db2.gz DSGCFJXTIDBGAO-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP COC1(C(=O)N2CC[NH2+]C[C@@H]2C)CC[NH2+]CC1 ZINC000634283547 374091774 /nfs/dbraw/zinc/09/17/74/374091774.db2.gz JQLMOCCEWLFNLM-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP COC1(C(=O)N2CC[NH2+]C[C@H]2C)CC[NH2+]CC1 ZINC000634283548 374092037 /nfs/dbraw/zinc/09/20/37/374092037.db2.gz JQLMOCCEWLFNLM-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP COC1(C(=O)N(C)C2CC([NH3+])C2)CC[NH2+]CC1 ZINC000634290779 361175610 /nfs/dbraw/zinc/17/56/10/361175610.db2.gz NLPXIPLQFOEZIF-UHFFFAOYSA-N 2 0 241.335 -0.297 20 0 BBADRP CC(C)[C@H]1CN(C(=O)COCC[NH3+])CC[N@@H+]1C ZINC000634300668 374127040 /nfs/dbraw/zinc/12/70/40/374127040.db2.gz HFBAEWLRXIVQLI-LLVKDONJSA-N 2 0 243.351 -0.240 20 0 BBADRP C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000634688074 343247111 /nfs/dbraw/zinc/24/71/11/343247111.db2.gz HLJZAHSUVFQIDO-TXEJJXNPSA-N 2 0 225.336 -0.530 20 0 BBADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688277 343246517 /nfs/dbraw/zinc/24/65/17/343246517.db2.gz NPSSISYRYBOZFH-AOOOYVTPSA-N 2 0 200.282 -0.460 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688638 385206874 /nfs/dbraw/zinc/20/68/74/385206874.db2.gz ZGPUAGOAABXZEC-OUAUKWLOSA-N 2 0 214.309 -0.465 20 0 BBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)F)CC1 ZINC000634723138 343881860 /nfs/dbraw/zinc/88/18/60/343881860.db2.gz BAMFGLGPELUJPE-LLVKDONJSA-N 2 0 247.358 -0.068 20 0 BBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)F)CC1 ZINC000634723139 343881843 /nfs/dbraw/zinc/88/18/43/343881843.db2.gz BAMFGLGPELUJPE-NSHDSACASA-N 2 0 247.358 -0.068 20 0 BBADRP O[C@@H](C[NH2+][C@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000634729148 344005083 /nfs/dbraw/zinc/00/50/83/344005083.db2.gz YUTRPSIEBGYRRO-SRVKXCTJSA-N 2 0 228.336 -0.054 20 0 BBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC000634743760 384714780 /nfs/dbraw/zinc/71/47/80/384714780.db2.gz 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ZINC000634994145 345192882 /nfs/dbraw/zinc/19/28/82/345192882.db2.gz SEDXAUVCDSMAGP-QWRGUYRKSA-N 3 0 215.341 -0.123 20 0 BBADRP CC(C)[C@@H](C[NH3+])CN1CCO[C@H](C[NH3+])C1 ZINC000634994146 345192899 /nfs/dbraw/zinc/19/28/99/345192899.db2.gz SEDXAUVCDSMAGP-WDEREUQCSA-N 3 0 215.341 -0.123 20 0 BBADRP C(C[NH2+]CC12CC(C1)C[NH2+]2)CN1CC[NH2+]CC1 ZINC000634994360 345181806 /nfs/dbraw/zinc/18/18/06/345181806.db2.gz ADRLXXLWMCZBQN-UHFFFAOYSA-N 3 0 238.379 -0.377 20 0 BBADRP [NH3+]CC1(C[NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000634994654 345182869 /nfs/dbraw/zinc/18/28/69/345182869.db2.gz JSTLQIKGYUGASS-UHFFFAOYSA-N 3 0 226.368 -0.390 20 0 BBADRP NCC(F)(F)CNCC12CC(C1)C[NH2+]2 ZINC000634995317 345184524 /nfs/dbraw/zinc/18/45/24/345184524.db2.gz ANLDYHWXFQDJNQ-UHFFFAOYSA-N 2 0 205.252 -0.078 20 0 BBADRP C(CN1CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000634995339 345184365 /nfs/dbraw/zinc/18/43/65/345184365.db2.gz BEEHOFZHJCEOKG-UHFFFAOYSA-N 3 0 224.352 -0.767 20 0 BBADRP CC(C)[C@H](C[NH3+])CN(C)C[C@H](O)C[NH3+] ZINC000634995427 345184529 /nfs/dbraw/zinc/18/45/29/345184529.db2.gz DRXFLLJIOKYOFI-NXEZZACHSA-N 3 0 203.330 -0.531 20 0 BBADRP CC(C)[C@@H](C[NH3+])CN(C)C[C@@H](O)C[NH3+] ZINC000634995428 345184474 /nfs/dbraw/zinc/18/44/74/345184474.db2.gz DRXFLLJIOKYOFI-UWVGGRQHSA-N 3 0 203.330 -0.531 20 0 BBADRP CC(C)[C@@H](C[NH3+])CN(C)C[C@H](O)C[NH3+] ZINC000634995429 345184244 /nfs/dbraw/zinc/18/42/44/345184244.db2.gz DRXFLLJIOKYOFI-VHSXEESVSA-N 3 0 203.330 -0.531 20 0 BBADRP CC(C)[C@H](C[NH3+])CN(C)C[C@@H](O)C[NH3+] ZINC000634995430 345184538 /nfs/dbraw/zinc/18/45/38/345184538.db2.gz DRXFLLJIOKYOFI-ZJUUUORDSA-N 3 0 203.330 -0.531 20 0 BBADRP C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[NH2+]CCCO1 ZINC000634995571 345185246 /nfs/dbraw/zinc/18/52/46/345185246.db2.gz ISNLKCAXKPDDBZ-CXQJBGSLSA-N 2 0 225.336 -0.294 20 0 BBADRP C(NCC12CC(C1)C[NH2+]2)[C@H]1C[NH2+]CCCO1 ZINC000634995572 345185361 /nfs/dbraw/zinc/18/53/61/345185361.db2.gz ISNLKCAXKPDDBZ-MOENNCHZSA-N 2 0 225.336 -0.294 20 0 BBADRP COCC[NH2+]CCNCC12CC(C1)C[NH2+]2 ZINC000634995585 345185217 /nfs/dbraw/zinc/18/52/17/345185217.db2.gz JKLJZNVCYGXVGR-UHFFFAOYSA-N 2 0 213.325 -0.436 20 0 BBADRP CC(C)[C@H](C[NH3+])C[NH2+]CCN1CC[NH2+]CC1 ZINC000634995647 345185269 /nfs/dbraw/zinc/18/52/69/345185269.db2.gz LIRGPFGFCPGZKL-GFCCVEGCSA-N 3 0 228.384 -0.288 20 0 BBADRP CC(C)[C@@H](C[NH3+])C[NH2+]CCN1CC[NH2+]CC1 ZINC000634995648 345185260 /nfs/dbraw/zinc/18/52/60/345185260.db2.gz LIRGPFGFCPGZKL-LBPRGKRZSA-N 3 0 228.384 -0.288 20 0 BBADRP COCC[NH2+]CCNCC1(C[NH3+])CC1 ZINC000634995748 345185336 /nfs/dbraw/zinc/18/53/36/345185336.db2.gz NTJTYZPZQCJUKY-UHFFFAOYSA-N 2 0 201.314 -0.449 20 0 BBADRP [NH3+]CC1(C[NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000634996010 345185723 /nfs/dbraw/zinc/18/57/23/345185723.db2.gz WIHUBQYAHSLUQP-UHFFFAOYSA-N 3 0 212.341 -0.780 20 0 BBADRP [NH3+]CC1(CNC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000634996129 345186471 /nfs/dbraw/zinc/18/64/71/345186471.db2.gz ZXVFKWRINYFDEV-JTQLQIEISA-N 2 0 213.325 -0.307 20 0 BBADRP [NH3+]CC1(CNC[C@H]2C[NH2+]CCCO2)CC1 ZINC000634996130 345186963 /nfs/dbraw/zinc/18/69/63/345186963.db2.gz ZXVFKWRINYFDEV-SNVBAGLBSA-N 2 0 213.325 -0.307 20 0 BBADRP [NH3+]C[C@H]1CN(CC2(C[NH3+])CC2)CCCO1 ZINC000634996136 345186711 /nfs/dbraw/zinc/18/67/11/345186711.db2.gz ACRIXWAAFCGGRE-JTQLQIEISA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]C[C@@H]1CN(CC2(C[NH3+])CC2)CCCO1 ZINC000634996137 345186982 /nfs/dbraw/zinc/18/69/82/345186982.db2.gz ACRIXWAAFCGGRE-SNVBAGLBSA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]C[C@H]1CN(CC23CC(C2)C[NH2+]3)CCCO1 ZINC000634996185 345187734 /nfs/dbraw/zinc/18/77/34/345187734.db2.gz BXRQNZJZFUZVKW-CXQJBGSLSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@@H]1CN(CC23CC(C2)C[NH2+]3)CCCO1 ZINC000634996186 345187470 /nfs/dbraw/zinc/18/74/70/345187470.db2.gz BXRQNZJZFUZVKW-MOENNCHZSA-N 2 0 225.336 -0.212 20 0 BBADRP O[C@@H]1C[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[N@@H+]2C1 ZINC000634996422 345188151 /nfs/dbraw/zinc/18/81/51/345188151.db2.gz JIIIUGVDTGUMGO-CMOBGSAGSA-N 2 0 237.347 -0.511 20 0 BBADRP OC[C@@]1(O)CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634996704 345191179 /nfs/dbraw/zinc/19/11/79/345191179.db2.gz RBISBMVVRAJGNP-HTAVTVPLSA-N 2 0 226.320 -0.442 20 0 BBADRP OC[C@]1(O)CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634996705 345191103 /nfs/dbraw/zinc/19/11/03/345191103.db2.gz RBISBMVVRAJGNP-MCIGGMRASA-N 2 0 226.320 -0.442 20 0 BBADRP C(NCC12CC(C1)C[NH2+]2)[C@H]1C[NH2+]CCO1 ZINC000634996782 345180641 /nfs/dbraw/zinc/18/06/41/345180641.db2.gz VGOASRXDTLWJTN-HSOILSAZSA-N 2 0 211.309 -0.684 20 0 BBADRP C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[NH2+]CCO1 ZINC000634996783 345181223 /nfs/dbraw/zinc/18/12/23/345181223.db2.gz VGOASRXDTLWJTN-YVNMAJEFSA-N 2 0 211.309 -0.684 20 0 BBADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1CNCCO1 ZINC000634996942 345186904 /nfs/dbraw/zinc/18/69/04/345186904.db2.gz ZHFPOKWGNXKTGJ-GHMZBOCLSA-N 2 0 215.341 -0.205 20 0 BBADRP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1CNCCO1 ZINC000634996943 345186574 /nfs/dbraw/zinc/18/65/74/345186574.db2.gz ZHFPOKWGNXKTGJ-MNOVXSKESA-N 2 0 215.341 -0.205 20 0 BBADRP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1CNCCO1 ZINC000634996944 345186789 /nfs/dbraw/zinc/18/67/89/345186789.db2.gz ZHFPOKWGNXKTGJ-QWRGUYRKSA-N 2 0 215.341 -0.205 20 0 BBADRP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1CNCCO1 ZINC000634996945 345186444 /nfs/dbraw/zinc/18/64/44/345186444.db2.gz ZHFPOKWGNXKTGJ-WDEREUQCSA-N 2 0 215.341 -0.205 20 0 BBADRP [NH3+]CCCOCCNCC12CC(C1)C[NH2+]2 ZINC000634997065 345193978 /nfs/dbraw/zinc/19/39/78/345193978.db2.gz BVWOBYCLHCBHEX-UHFFFAOYSA-N 2 0 213.325 -0.307 20 0 BBADRP C(NCC12CC(C1)C[NH2+]2)[C@@H]1COCC[NH2+]1 ZINC000634997556 345196582 /nfs/dbraw/zinc/19/65/82/345196582.db2.gz NWLZFBNFBZTFEM-HSOILSAZSA-N 2 0 211.309 -0.684 20 0 BBADRP C(NCC12CC(C1)C[NH2+]2)[C@H]1COCC[NH2+]1 ZINC000634997557 345196573 /nfs/dbraw/zinc/19/65/73/345196573.db2.gz NWLZFBNFBZTFEM-YVNMAJEFSA-N 2 0 211.309 -0.684 20 0 BBADRP C[NH2+]CCOCCN(C)CC12CC(C1)C[NH2+]2 ZINC000634997651 345193398 /nfs/dbraw/zinc/19/33/98/345193398.db2.gz PULRAHMQEOHGIT-UHFFFAOYSA-N 3 0 227.352 -0.094 20 0 BBADRP CC(C)[C@H](C[NH3+])CN1CCOC2(C[NH2+]C2)C1 ZINC000634997748 345196064 /nfs/dbraw/zinc/19/60/64/345196064.db2.gz RQFMUXUBJJCSNI-LLVKDONJSA-N 2 0 227.352 -0.109 20 0 BBADRP CC(C)[C@@H](C[NH3+])CN1CCOC2(C[NH2+]C2)C1 ZINC000634997749 345196127 /nfs/dbraw/zinc/19/61/27/345196127.db2.gz RQFMUXUBJJCSNI-NSHDSACASA-N 2 0 227.352 -0.109 20 0 BBADRP CN(CCOCC[NH3+])CC12CC(C1)C[NH2+]2 ZINC000634997789 345195356 /nfs/dbraw/zinc/19/53/56/345195356.db2.gz SQTYCGPQNLQEDB-UHFFFAOYSA-N 3 0 213.325 -0.355 20 0 BBADRP CC(C)([NH3+])C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000634998585 345198322 /nfs/dbraw/zinc/19/83/22/345198322.db2.gz HZQGVUCLHPVBAW-RYUDHWBXSA-N 2 0 239.319 -0.292 20 0 BBADRP CC(C)([NH3+])C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000634998586 345198177 /nfs/dbraw/zinc/19/81/77/345198177.db2.gz HZQGVUCLHPVBAW-TXEJJXNPSA-N 2 0 239.319 -0.292 20 0 BBADRP CC(C)([NH3+])C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000634998587 345198477 /nfs/dbraw/zinc/19/84/77/345198477.db2.gz HZQGVUCLHPVBAW-VXGBXAGGSA-N 2 0 239.319 -0.292 20 0 BBADRP C[C@]12C[NH+](CCC[NH3+])C[C@]1(C)C(=O)NC2=O ZINC000634999398 345200665 /nfs/dbraw/zinc/20/06/65/345200665.db2.gz UFJJWPBRZREXRO-GHMZBOCLSA-N 2 0 225.292 -0.680 20 0 BBADRP C[C@]12C[N@H+](CCC[NH3+])C[C@@]1(C)C(=O)NC2=O ZINC000634999399 345200075 /nfs/dbraw/zinc/20/00/75/345200075.db2.gz UFJJWPBRZREXRO-PHIMTYICSA-N 2 0 225.292 -0.680 20 0 BBADRP C[C@@]12C[NH+](CCC[NH3+])C[C@@]1(C)C(=O)NC2=O ZINC000634999400 345200010 /nfs/dbraw/zinc/20/00/10/345200010.db2.gz UFJJWPBRZREXRO-QWRGUYRKSA-N 2 0 225.292 -0.680 20 0 BBADRP CC(C)([NH3+])CN1CCC([NH2+]CCO)CC1 ZINC000635001123 345202890 /nfs/dbraw/zinc/20/28/90/345202890.db2.gz HPVFSFNXAIVTTM-UHFFFAOYSA-N 2 0 215.341 -0.230 20 0 BBADRP [NH3+]CC1(CN2CCC([NH2+]CCO)CC2)CC1 ZINC000635002230 345203811 /nfs/dbraw/zinc/20/38/11/345203811.db2.gz LHZYGZIYFPCCLA-UHFFFAOYSA-N 2 0 227.352 -0.228 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000635004353 345207907 /nfs/dbraw/zinc/20/79/07/345207907.db2.gz DCNDMQNTBCSRKW-BDAKNGLRSA-N 2 0 235.353 -0.605 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000635004367 345207767 /nfs/dbraw/zinc/20/77/67/345207767.db2.gz DCNDMQNTBCSRKW-DTWKUNHWSA-N 2 0 235.353 -0.605 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000635004368 345207927 /nfs/dbraw/zinc/20/79/27/345207927.db2.gz DCNDMQNTBCSRKW-IUCAKERBSA-N 2 0 235.353 -0.605 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000635004370 345207535 /nfs/dbraw/zinc/20/75/35/345207535.db2.gz DCNDMQNTBCSRKW-RKDXNWHRSA-N 2 0 235.353 -0.605 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000635004718 345208599 /nfs/dbraw/zinc/20/85/99/345208599.db2.gz DVGLUNLMGKSNDG-BDAKNGLRSA-N 2 0 237.369 -0.359 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000635004729 345208297 /nfs/dbraw/zinc/20/82/97/345208297.db2.gz DVGLUNLMGKSNDG-DTWKUNHWSA-N 2 0 237.369 -0.359 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000635004730 345208782 /nfs/dbraw/zinc/20/87/82/345208782.db2.gz DVGLUNLMGKSNDG-IUCAKERBSA-N 2 0 237.369 -0.359 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000635004731 345208372 /nfs/dbraw/zinc/20/83/72/345208372.db2.gz DVGLUNLMGKSNDG-RKDXNWHRSA-N 2 0 237.369 -0.359 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000635007492 345209050 /nfs/dbraw/zinc/20/90/50/345209050.db2.gz QLELLCIXKZBLGS-NXEZZACHSA-N 2 0 249.380 -0.215 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000635007499 345210043 /nfs/dbraw/zinc/21/00/43/345210043.db2.gz QLELLCIXKZBLGS-UWVGGRQHSA-N 2 0 249.380 -0.215 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000635007500 345209803 /nfs/dbraw/zinc/20/98/03/345209803.db2.gz QLELLCIXKZBLGS-VHSXEESVSA-N 2 0 249.380 -0.215 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000635007501 345209874 /nfs/dbraw/zinc/20/98/74/345209874.db2.gz QLELLCIXKZBLGS-ZJUUUORDSA-N 2 0 249.380 -0.215 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000635009231 345216918 /nfs/dbraw/zinc/21/69/18/345216918.db2.gz XJWQEQUBCGBBCP-NXEZZACHSA-N 2 0 249.380 -0.357 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000635009235 345216554 /nfs/dbraw/zinc/21/65/54/345216554.db2.gz XJWQEQUBCGBBCP-UWVGGRQHSA-N 2 0 249.380 -0.357 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000635009236 345216951 /nfs/dbraw/zinc/21/69/51/345216951.db2.gz XJWQEQUBCGBBCP-VHSXEESVSA-N 2 0 249.380 -0.357 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000635009237 345216370 /nfs/dbraw/zinc/21/63/70/345216370.db2.gz XJWQEQUBCGBBCP-ZJUUUORDSA-N 2 0 249.380 -0.357 20 0 BBADRP C[C@H](C(=O)NCCCN1CCOCC1)[NH+](C)C ZINC000635066767 345236027 /nfs/dbraw/zinc/23/60/27/345236027.db2.gz CUQLPHAJBJCDIA-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP C[C@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000635160183 345262197 /nfs/dbraw/zinc/26/21/97/345262197.db2.gz CWKLMZULECBZDL-LLVKDONJSA-N 2 0 242.367 -0.700 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635478731 345388825 /nfs/dbraw/zinc/38/88/25/345388825.db2.gz HLGPXCVOUFABCB-SNVBAGLBSA-N 2 0 231.340 -0.369 20 0 BBADRP C[C@H](C(=O)NCc1nccn1C)[NH+](C)C ZINC000635496400 345398672 /nfs/dbraw/zinc/39/86/72/345398672.db2.gz QXSIMJQUWOHJHJ-MRVPVSSYSA-N 2 0 210.281 -0.014 20 0 BBADRP C[C@H](C(=O)NCCN1CCOC[C@H]1C)[NH+](C)C ZINC000635499999 345399710 /nfs/dbraw/zinc/39/97/10/345399710.db2.gz CABRGGVRHYFPDF-GHMZBOCLSA-N 2 0 243.351 -0.227 20 0 BBADRP C[C@H](C(=O)NCCN1CCOC[C@@H]1C)[NH+](C)C ZINC000635500000 345399926 /nfs/dbraw/zinc/39/99/26/345399926.db2.gz CABRGGVRHYFPDF-WDEREUQCSA-N 2 0 243.351 -0.227 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)[NH+](C)C ZINC000635503117 345403798 /nfs/dbraw/zinc/40/37/98/345403798.db2.gz DGJCDRAQOMYFCK-LLVKDONJSA-N 2 0 245.367 -0.027 20 0 BBADRP C[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000635528819 345437957 /nfs/dbraw/zinc/43/79/57/345437957.db2.gz WVTGXSZNVUBFCI-QWRGUYRKSA-N 2 0 238.335 -0.164 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635538604 345508049 /nfs/dbraw/zinc/50/80/49/345508049.db2.gz KJIIAPCTTUSYRE-GHMZBOCLSA-N 2 0 243.351 -0.227 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635538608 345508323 /nfs/dbraw/zinc/50/83/23/345508323.db2.gz KJIIAPCTTUSYRE-MNOVXSKESA-N 2 0 243.351 -0.227 20 0 BBADRP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000635547014 345581447 /nfs/dbraw/zinc/58/14/47/345581447.db2.gz DRLMTDFODUAVNH-GHMZBOCLSA-N 2 0 242.367 -0.702 20 0 BBADRP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000635547021 345581278 /nfs/dbraw/zinc/58/12/78/345581278.db2.gz DRLMTDFODUAVNH-MNOVXSKESA-N 2 0 242.367 -0.702 20 0 BBADRP C[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+](C)C ZINC000635632278 345907529 /nfs/dbraw/zinc/90/75/29/345907529.db2.gz ZYLWIORYTGOFFI-SNVBAGLBSA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@H](C(=O)N(C)CC[NH+](C)C)[NH+](C)C ZINC000635641516 345914811 /nfs/dbraw/zinc/91/48/11/345914811.db2.gz UWXCZDBRXVBUEY-SECBINFHSA-N 2 0 201.314 -0.044 20 0 BBADRP C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000635727254 346038101 /nfs/dbraw/zinc/03/81/01/346038101.db2.gz JSDJCUVDFJMVIK-KOLCDFICSA-N 2 0 231.340 -0.635 20 0 BBADRP C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000635727255 346037989 /nfs/dbraw/zinc/03/79/89/346037989.db2.gz JSDJCUVDFJMVIK-MWLCHTKSSA-N 2 0 231.340 -0.635 20 0 BBADRP C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000635800569 346067871 /nfs/dbraw/zinc/06/78/71/346067871.db2.gz BANPIBLVKFLPMB-KOLCDFICSA-N 2 0 229.324 -0.881 20 0 BBADRP C[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000635800570 346067484 /nfs/dbraw/zinc/06/74/84/346067484.db2.gz BANPIBLVKFLPMB-MWLCHTKSSA-N 2 0 229.324 -0.881 20 0 BBADRP CC[N@H+](CCO)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635809283 346073174 /nfs/dbraw/zinc/07/31/74/346073174.db2.gz DGKJHYWVDMQQJR-SNVBAGLBSA-N 2 0 231.340 -0.633 20 0 BBADRP C[C@H](C(=O)NCCN1CCCOCC1)[NH+](C)C ZINC000635836282 346081823 /nfs/dbraw/zinc/08/18/23/346081823.db2.gz VGKPBAVDMKAUIA-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+](C)C ZINC000635863949 346097327 /nfs/dbraw/zinc/09/73/27/346097327.db2.gz AMWQGKOITQHBRY-MXWKQRLJSA-N 2 0 225.336 -0.044 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635928675 346110927 /nfs/dbraw/zinc/11/09/27/346110927.db2.gz LFXYSSGXGJIWAK-JTQLQIEISA-N 2 0 243.351 -0.633 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635928676 346110971 /nfs/dbraw/zinc/11/09/71/346110971.db2.gz LFXYSSGXGJIWAK-SNVBAGLBSA-N 2 0 243.351 -0.633 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635929854 346111509 /nfs/dbraw/zinc/11/15/09/346111509.db2.gz YGVCTUZGUHDQDC-GHMZBOCLSA-N 2 0 243.351 -0.633 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635929855 346111657 /nfs/dbraw/zinc/11/16/57/346111657.db2.gz YGVCTUZGUHDQDC-MNOVXSKESA-N 2 0 243.351 -0.633 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635929856 346111567 /nfs/dbraw/zinc/11/15/67/346111567.db2.gz YGVCTUZGUHDQDC-QWRGUYRKSA-N 2 0 243.351 -0.633 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635929857 346111640 /nfs/dbraw/zinc/11/16/40/346111640.db2.gz YGVCTUZGUHDQDC-WDEREUQCSA-N 2 0 243.351 -0.633 20 0 BBADRP C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000635949045 346120584 /nfs/dbraw/zinc/12/05/84/346120584.db2.gz ZGSNVPWNISISJG-UTLUCORTSA-N 2 0 229.324 -0.930 20 0 BBADRP C[C@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+](C)C ZINC000635975720 346130025 /nfs/dbraw/zinc/13/00/25/346130025.db2.gz NGUPCRCNVLIOSY-SECBINFHSA-N 2 0 213.325 -0.044 20 0 BBADRP C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[NH+](C)C ZINC000635997301 346149510 /nfs/dbraw/zinc/14/95/10/346149510.db2.gz CKLLOOJDMBADNV-ZNSHCXBVSA-N 2 0 225.336 -0.045 20 0 BBADRP C[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)[NH+](C)C ZINC000636000866 346150667 /nfs/dbraw/zinc/15/06/67/346150667.db2.gz RCEZOTFKROBMOB-JTQLQIEISA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@H](C(=O)NCC[NH+]1CCC(O)CC1)[NH+](C)C ZINC000636000868 346150915 /nfs/dbraw/zinc/15/09/15/346150915.db2.gz RCEZOTFKROBMOB-SNVBAGLBSA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2C)[NH+](C)C ZINC000636021527 346159309 /nfs/dbraw/zinc/15/93/09/346159309.db2.gz BXKUGWIPBJMOAV-AXFHLTTASA-N 2 0 241.335 -0.522 20 0 BBADRP C[C@H](C(=O)N1CC(N2CC[C@@H](O)C2)C1)[NH+](C)C ZINC000636125856 346326586 /nfs/dbraw/zinc/32/65/86/346326586.db2.gz UHRZJVQTFVLOFQ-MWLCHTKSSA-N 2 0 241.335 -0.786 20 0 BBADRP C[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000636141440 346332961 /nfs/dbraw/zinc/33/29/61/346332961.db2.gz XJHJGBGCADPSPE-OUAUKWLOSA-N 2 0 241.335 -0.786 20 0 BBADRP C[C@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000636180664 346347994 /nfs/dbraw/zinc/34/79/94/346347994.db2.gz HDNZMQJREQSRSK-SECBINFHSA-N 2 0 213.325 -0.044 20 0 BBADRP C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000636286389 346378936 /nfs/dbraw/zinc/37/89/36/346378936.db2.gz BMMWUBOIVLEFDW-NXEZZACHSA-N 2 0 229.324 -0.881 20 0 BBADRP CN(CC[NH+](C)C)C(=O)NCC[NH2+]C1CC1 ZINC000637308187 350430393 /nfs/dbraw/zinc/43/03/93/350430393.db2.gz VYVLLBQUBHDZGZ-UHFFFAOYSA-N 2 0 228.340 -0.059 20 0 BBADRP NCC(F)(F)CNC(=O)NCC[NH2+]C1CC1 ZINC000637338728 350464872 /nfs/dbraw/zinc/46/48/72/350464872.db2.gz BNSZWQQEZZZVCT-UHFFFAOYSA-N 2 0 236.266 -0.368 20 0 BBADRP CN1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637339531 350464828 /nfs/dbraw/zinc/46/48/28/350464828.db2.gz JASCRWYTQKMGSE-UHFFFAOYSA-N 2 0 226.324 -0.305 20 0 BBADRP C[C@@H]1CN(C(=O)NCC[NH2+]C2CC2)CC[NH2+]1 ZINC000637339562 350465547 /nfs/dbraw/zinc/46/55/47/350465547.db2.gz JTCNMGSPXJNOFD-SECBINFHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[C@H]1CN(C(=O)NCC[NH2+]C2CC2)CC[NH2+]1 ZINC000637339563 350465978 /nfs/dbraw/zinc/46/59/78/350465978.db2.gz JTCNMGSPXJNOFD-VIFPVBQESA-N 2 0 226.324 -0.258 20 0 BBADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCC[NH2+]1 ZINC000637340468 350465588 /nfs/dbraw/zinc/46/55/88/350465588.db2.gz SIWLPXMIOJJQRF-JTQLQIEISA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(NCC[NH2+]C1CC1)NC[C@H]1CCC[NH2+]1 ZINC000637340475 350465635 /nfs/dbraw/zinc/46/56/35/350465635.db2.gz SIWLPXMIOJJQRF-SNVBAGLBSA-N 2 0 226.324 -0.210 20 0 BBADRP CN(C(=O)NCC[NH2+]C1CC1)C1CC([NH3+])C1 ZINC000637340661 350465691 /nfs/dbraw/zinc/46/56/91/350465691.db2.gz ULWPKDPFIDXARN-UHFFFAOYSA-N 2 0 226.324 -0.131 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)N1CC[NH2+]CC1 ZINC000637479427 350632246 /nfs/dbraw/zinc/63/22/46/350632246.db2.gz ZZNVWEUWCACXGU-UHFFFAOYSA-N 2 0 228.340 -0.011 20 0 BBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)CCCOC1 ZINC000637796900 351623696 /nfs/dbraw/zinc/62/36/96/351623696.db2.gz BOTCKRJRWHJGCU-CMPLNLGQSA-N 2 0 241.335 -0.308 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N2CCC[C@H]([NH3+])C2)CCCOC1 ZINC000637796901 351623663 /nfs/dbraw/zinc/62/36/63/351623663.db2.gz BOTCKRJRWHJGCU-JQWIXIFHSA-N 2 0 241.335 -0.308 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCCOC1 ZINC000637796902 351624040 /nfs/dbraw/zinc/62/40/40/351624040.db2.gz BOTCKRJRWHJGCU-PWSUYJOCSA-N 2 0 241.335 -0.308 20 0 BBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCCOC1 ZINC000637796903 351623532 /nfs/dbraw/zinc/62/35/32/351623532.db2.gz BOTCKRJRWHJGCU-ZYHUDNBSSA-N 2 0 241.335 -0.308 20 0 BBADRP COc1cccc([C@H]([NH3+])C(=O)NCC[NH3+])c1 ZINC000637797237 351624125 /nfs/dbraw/zinc/62/41/25/351624125.db2.gz NIONAUNZYWRNMH-JTQLQIEISA-N 2 0 223.276 -0.230 20 0 BBADRP COc1cccc([C@@H]([NH3+])C(=O)NCC[NH3+])c1 ZINC000637797239 351623596 /nfs/dbraw/zinc/62/35/96/351623596.db2.gz NIONAUNZYWRNMH-SNVBAGLBSA-N 2 0 223.276 -0.230 20 0 BBADRP C[C@H](C(=O)NCCCN1CC[NH2+]CC1)[NH+](C)C ZINC000637797254 351630058 /nfs/dbraw/zinc/63/00/58/351630058.db2.gz BJDJOEHVCUAXSG-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000637797409 351629636 /nfs/dbraw/zinc/62/96/36/351629636.db2.gz AMOSAOHBMNMAFL-NXEZZACHSA-N 2 0 209.293 -0.016 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000637797411 351629726 /nfs/dbraw/zinc/62/97/26/351629726.db2.gz AMOSAOHBMNMAFL-VHSXEESVSA-N 2 0 209.293 -0.016 20 0 BBADRP [NH3+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000637797555 351630034 /nfs/dbraw/zinc/63/00/34/351630034.db2.gz PEHJIAZIUXIEPQ-UHFFFAOYSA-N 2 0 211.309 -0.063 20 0 BBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH3+] ZINC000637797675 351629890 /nfs/dbraw/zinc/62/98/90/351629890.db2.gz QYFZZQBMEQJKSM-UHFFFAOYSA-N 2 0 229.324 -0.580 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCCCN1CC[NH2+]CC1 ZINC000637797759 351630746 /nfs/dbraw/zinc/63/07/46/351630746.db2.gz HZYYOADUQRLEEL-JTQLQIEISA-N 2 0 228.340 -0.865 20 0 BBADRP COC[C@]1(C(=O)NCC[NH3+])CCCC[NH2+]1 ZINC000637797962 351625781 /nfs/dbraw/zinc/62/57/81/351625781.db2.gz STSWPUGNADNMFG-JTQLQIEISA-N 2 0 215.297 -0.780 20 0 BBADRP COC[C@@]1(C(=O)NCC[NH3+])CCCC[NH2+]1 ZINC000637797966 351625614 /nfs/dbraw/zinc/62/56/14/351625614.db2.gz STSWPUGNADNMFG-SNVBAGLBSA-N 2 0 215.297 -0.780 20 0 BBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[NH3+])c1 ZINC000637798002 351626304 /nfs/dbraw/zinc/62/63/04/351626304.db2.gz UHBJKVFPXJQSBG-LLVKDONJSA-N 2 0 237.303 -0.360 20 0 BBADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC[NH3+])c1 ZINC000637798004 351626541 /nfs/dbraw/zinc/62/65/41/351626541.db2.gz UHBJKVFPXJQSBG-NSHDSACASA-N 2 0 237.303 -0.360 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000637798144 351626696 /nfs/dbraw/zinc/62/66/96/351626696.db2.gz LMUQYLDWEXEFNV-LLVKDONJSA-N 2 0 242.367 -0.604 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000637798145 351626717 /nfs/dbraw/zinc/62/67/17/351626717.db2.gz LMUQYLDWEXEFNV-NSHDSACASA-N 2 0 242.367 -0.604 20 0 BBADRP [NH3+]CCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637798347 351626604 /nfs/dbraw/zinc/62/66/04/351626604.db2.gz WSIIBISWDXPIPV-UHFFFAOYSA-N 2 0 233.315 -0.050 20 0 BBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH3+])cn1 ZINC000637798499 351627536 /nfs/dbraw/zinc/62/75/36/351627536.db2.gz YQPXSUJVXIMHAB-UHFFFAOYSA-N 2 0 225.296 -0.867 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000637798610 351627131 /nfs/dbraw/zinc/62/71/31/351627131.db2.gz MKOZUQVVQLFPKA-GXSJLCMTSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000637798615 351627513 /nfs/dbraw/zinc/62/75/13/351627513.db2.gz MKOZUQVVQLFPKA-KOLCDFICSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000637798616 351627588 /nfs/dbraw/zinc/62/75/88/351627588.db2.gz MKOZUQVVQLFPKA-MWLCHTKSSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@@]1(C(=O)N2CCC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000637798617 351627576 /nfs/dbraw/zinc/62/75/76/351627576.db2.gz MKOZUQVVQLFPKA-ONGXEEELSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@]1(C(=O)NC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637798989 351627951 /nfs/dbraw/zinc/62/79/51/351627951.db2.gz RTJHROKEEMKWMC-LLVKDONJSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(C(=O)NC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637798991 351628007 /nfs/dbraw/zinc/62/80/07/351628007.db2.gz RTJHROKEEMKWMC-NSHDSACASA-N 2 0 227.308 -0.767 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000637799640 351628780 /nfs/dbraw/zinc/62/87/80/351628780.db2.gz XPLXGTXERNYPLG-JFGNBEQYSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000637799642 351629059 /nfs/dbraw/zinc/62/90/59/351629059.db2.gz XPLXGTXERNYPLG-SCVCMEIPSA-N 2 0 241.335 -0.297 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637799643 351628950 /nfs/dbraw/zinc/62/89/50/351628950.db2.gz XPSHLRUNMLCZJH-HLTSFMKQSA-N 2 0 213.281 -0.948 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000637799644 351629016 /nfs/dbraw/zinc/62/90/16/351629016.db2.gz XPSHLRUNMLCZJH-YIZRAAEISA-N 2 0 213.281 -0.948 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[NH2+]CC2)C1 ZINC000637800607 351636587 /nfs/dbraw/zinc/63/65/87/351636587.db2.gz CLDCHLISKONWRI-CMPLNLGQSA-N 2 0 241.335 -0.425 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[NH2+]CC2)C1 ZINC000637800608 351636402 /nfs/dbraw/zinc/63/64/02/351636402.db2.gz CLDCHLISKONWRI-JQWIXIFHSA-N 2 0 241.335 -0.425 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC[NH2+]CC2)C1 ZINC000637800609 351636526 /nfs/dbraw/zinc/63/65/26/351636526.db2.gz CLDCHLISKONWRI-PWSUYJOCSA-N 2 0 241.335 -0.425 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC[NH2+]CC2)C1 ZINC000637800610 351636226 /nfs/dbraw/zinc/63/62/26/351636226.db2.gz CLDCHLISKONWRI-ZYHUDNBSSA-N 2 0 241.335 -0.425 20 0 BBADRP [NH3+]Cc1cccc(NC(=O)CN2CC[NH2+]CC2)c1 ZINC000637800691 351636451 /nfs/dbraw/zinc/63/64/51/351636451.db2.gz HMJQFZKSDKWGRW-UHFFFAOYSA-N 2 0 248.330 -0.011 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N2CCC[NH2+]CC2)C1 ZINC000637800797 351636929 /nfs/dbraw/zinc/63/69/29/351636929.db2.gz FHHPIUZPJIUZLA-JTQLQIEISA-N 2 0 209.293 -0.144 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[NH2+]CC2)C1 ZINC000637800798 351637224 /nfs/dbraw/zinc/63/72/24/351637224.db2.gz FHHPIUZPJIUZLA-SNVBAGLBSA-N 2 0 209.293 -0.144 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637800820 351637292 /nfs/dbraw/zinc/63/72/92/351637292.db2.gz FWUPFFCMTXBQAU-NXEZZACHSA-N 2 0 209.293 -0.146 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637800821 351637130 /nfs/dbraw/zinc/63/71/30/351637130.db2.gz FWUPFFCMTXBQAU-UWVGGRQHSA-N 2 0 209.293 -0.146 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637800822 351637384 /nfs/dbraw/zinc/63/73/84/351637384.db2.gz FWUPFFCMTXBQAU-VHSXEESVSA-N 2 0 209.293 -0.146 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637800823 351637161 /nfs/dbraw/zinc/63/71/61/351637161.db2.gz FWUPFFCMTXBQAU-ZJUUUORDSA-N 2 0 209.293 -0.146 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000637800890 351637181 /nfs/dbraw/zinc/63/71/81/351637181.db2.gz JTHKENUWKCHILT-ZJUUUORDSA-N 2 0 241.335 -0.120 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH3+])C1 ZINC000637801608 351632600 /nfs/dbraw/zinc/63/26/00/351632600.db2.gz HWBQQAMQNDWVKO-PSASIEDQSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC[NH3+])C1 ZINC000637801609 351632838 /nfs/dbraw/zinc/63/28/38/351632838.db2.gz HWBQQAMQNDWVKO-SCZZXKLOSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH3+])C1 ZINC000637801610 351632926 /nfs/dbraw/zinc/63/29/26/351632926.db2.gz HWBQQAMQNDWVKO-WCBMZHEXSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[NH3+])C1 ZINC000637801611 351632720 /nfs/dbraw/zinc/63/27/20/351632720.db2.gz HWBQQAMQNDWVKO-WPRPVWTQSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000637801618 351632532 /nfs/dbraw/zinc/63/25/32/351632532.db2.gz IDQJNOGGQZZBOL-FXPVBKGRSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000637801619 351632535 /nfs/dbraw/zinc/63/25/35/351632535.db2.gz IDQJNOGGQZZBOL-KKZNHRDASA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000637801620 351632798 /nfs/dbraw/zinc/63/27/98/351632798.db2.gz IDQJNOGGQZZBOL-WCABBAIRSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000637801621 351632646 /nfs/dbraw/zinc/63/26/46/351632646.db2.gz IDQJNOGGQZZBOL-YWVKMMECSA-N 2 0 227.308 -0.687 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637801640 351632766 /nfs/dbraw/zinc/63/27/66/351632766.db2.gz LQPBMQLJGZACHY-GXSJLCMTSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637801641 351632887 /nfs/dbraw/zinc/63/28/87/351632887.db2.gz LQPBMQLJGZACHY-KOLCDFICSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637801642 351632866 /nfs/dbraw/zinc/63/28/66/351632866.db2.gz LQPBMQLJGZACHY-MWLCHTKSSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637801643 351632689 /nfs/dbraw/zinc/63/26/89/351632689.db2.gz LQPBMQLJGZACHY-ONGXEEELSA-N 2 0 227.308 -0.815 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH2+]CC2)C1 ZINC000637801824 351633945 /nfs/dbraw/zinc/63/39/45/351633945.db2.gz PJIDIPGXOBGGAS-GXSJLCMTSA-N 2 0 227.308 -0.815 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH2+]CC2)C1 ZINC000637801825 351633649 /nfs/dbraw/zinc/63/36/49/351633649.db2.gz PJIDIPGXOBGGAS-KOLCDFICSA-N 2 0 227.308 -0.815 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH2+]CC2)C1 ZINC000637801826 351633656 /nfs/dbraw/zinc/63/36/56/351633656.db2.gz PJIDIPGXOBGGAS-MWLCHTKSSA-N 2 0 227.308 -0.815 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH2+]CC2)C1 ZINC000637801828 351633762 /nfs/dbraw/zinc/63/37/62/351633762.db2.gz PJIDIPGXOBGGAS-ONGXEEELSA-N 2 0 227.308 -0.815 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCCOC1 ZINC000637802044 351634834 /nfs/dbraw/zinc/63/48/34/351634834.db2.gz MJHOJLKURYTYIT-KOLCDFICSA-N 2 0 227.308 -0.699 20 0 BBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCCOC1 ZINC000637802047 351634840 /nfs/dbraw/zinc/63/48/40/351634840.db2.gz MJHOJLKURYTYIT-MWLCHTKSSA-N 2 0 227.308 -0.699 20 0 BBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000637802101 351634669 /nfs/dbraw/zinc/63/46/69/351634669.db2.gz PSYHASCEMAUACT-SECBINFHSA-N 2 0 211.309 -0.112 20 0 BBADRP [NH3+]C[C@]1(C(=O)N2CC[NH2+]CC2)CCCOC1 ZINC000637802144 351634420 /nfs/dbraw/zinc/63/44/20/351634420.db2.gz VIBKENNBFTVOSA-LLVKDONJSA-N 2 0 227.308 -0.826 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N2CC[NH2+]CC2)CCCOC1 ZINC000637802145 351634768 /nfs/dbraw/zinc/63/47/68/351634768.db2.gz VIBKENNBFTVOSA-NSHDSACASA-N 2 0 227.308 -0.826 20 0 BBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH3+] ZINC000637802334 351634350 /nfs/dbraw/zinc/63/43/50/351634350.db2.gz MOGDUSQKFCNFQG-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP [NH3+]CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637802373 351634525 /nfs/dbraw/zinc/63/45/25/351634525.db2.gz NOWDOMDKDBQBGD-JTQLQIEISA-N 2 0 215.297 -0.793 20 0 BBADRP [NH3+]CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637802374 351634764 /nfs/dbraw/zinc/63/47/64/351634764.db2.gz NOWDOMDKDBQBGD-SNVBAGLBSA-N 2 0 215.297 -0.793 20 0 BBADRP COC[C@@]1(C(=O)NCCC[NH3+])CCCC[NH2+]1 ZINC000637802405 351634290 /nfs/dbraw/zinc/63/42/90/351634290.db2.gz PBAZYSCZZZCJLP-LLVKDONJSA-N 2 0 229.324 -0.390 20 0 BBADRP COC[C@]1(C(=O)NCCC[NH3+])CCCC[NH2+]1 ZINC000637802412 351635439 /nfs/dbraw/zinc/63/54/39/351635439.db2.gz PBAZYSCZZZCJLP-NSHDSACASA-N 2 0 229.324 -0.390 20 0 BBADRP COC[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCCC[NH2+]1 ZINC000637802678 351636148 /nfs/dbraw/zinc/63/61/48/351636148.db2.gz SFGJWZVWZIFYOJ-PWSUYJOCSA-N 2 0 241.335 -0.295 20 0 BBADRP COC[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCCC[NH2+]1 ZINC000637802680 351636328 /nfs/dbraw/zinc/63/63/28/351636328.db2.gz SFGJWZVWZIFYOJ-ZYHUDNBSSA-N 2 0 241.335 -0.295 20 0 BBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH3+])cn1 ZINC000637802960 351638662 /nfs/dbraw/zinc/63/86/62/351638662.db2.gz VMRVLFNZKJBHBC-UHFFFAOYSA-N 2 0 239.323 -0.477 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000637803074 351638897 /nfs/dbraw/zinc/63/88/97/351638897.db2.gz XNSBURBGPAEQCZ-CKYFFXLPSA-N 2 0 241.335 -0.426 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000637803075 351639038 /nfs/dbraw/zinc/63/90/38/351639038.db2.gz XNSBURBGPAEQCZ-FOGDFJRCSA-N 2 0 241.335 -0.426 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000637803076 351638784 /nfs/dbraw/zinc/63/87/84/351638784.db2.gz XNSBURBGPAEQCZ-JFGNBEQYSA-N 2 0 241.335 -0.426 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000637803077 351638803 /nfs/dbraw/zinc/63/88/03/351638803.db2.gz XNSBURBGPAEQCZ-SCVCMEIPSA-N 2 0 241.335 -0.426 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000637803116 351638763 /nfs/dbraw/zinc/63/87/63/351638763.db2.gz XYVFPLXQMNSNDX-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000637803119 351638876 /nfs/dbraw/zinc/63/88/76/351638876.db2.gz XYVFPLXQMNSNDX-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000637803121 351638588 /nfs/dbraw/zinc/63/85/88/351638588.db2.gz XYVFPLXQMNSNDX-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000637803123 351638796 /nfs/dbraw/zinc/63/87/96/351638796.db2.gz XYVFPLXQMNSNDX-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]C[C@]1(C(=O)N2CCC[NH2+]CC2)CCCOC1 ZINC000637803882 351640754 /nfs/dbraw/zinc/64/07/54/351640754.db2.gz QNAOCFPDDNAAFI-GFCCVEGCSA-N 2 0 241.335 -0.436 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N2CCC[NH2+]CC2)CCCOC1 ZINC000637803883 351640764 /nfs/dbraw/zinc/64/07/64/351640764.db2.gz QNAOCFPDDNAAFI-LBPRGKRZSA-N 2 0 241.335 -0.436 20 0 BBADRP C[C@]1(C(=O)N2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000637804256 351641186 /nfs/dbraw/zinc/64/11/86/351641186.db2.gz XPNFXLCQHNPADO-LLVKDONJSA-N 2 0 227.308 -0.813 20 0 BBADRP C[C@@]1(C(=O)N2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000637804257 351641390 /nfs/dbraw/zinc/64/13/90/351641390.db2.gz XPNFXLCQHNPADO-NSHDSACASA-N 2 0 227.308 -0.813 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637804751 351637366 /nfs/dbraw/zinc/63/73/66/351637366.db2.gz AXBYAEXKONLUKD-JTQLQIEISA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637804752 351636941 /nfs/dbraw/zinc/63/69/41/351636941.db2.gz AXBYAEXKONLUKD-SNVBAGLBSA-N 2 0 215.297 -0.909 20 0 BBADRP C[C@]1(C(=O)N2CCC(C[NH3+])CC2)C[NH2+]CCO1 ZINC000637804962 351644677 /nfs/dbraw/zinc/64/46/77/351644677.db2.gz UZDYTFIDUGCAAP-GFCCVEGCSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@]1(C(=O)N2CCC(C[NH3+])CC2)C[NH2+]CCO1 ZINC000637804963 351644476 /nfs/dbraw/zinc/64/44/76/351644476.db2.gz UZDYTFIDUGCAAP-LBPRGKRZSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000637805003 351644553 /nfs/dbraw/zinc/64/45/53/351644553.db2.gz WCRXNLHTKZFVNR-NXEZZACHSA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000637805004 351644349 /nfs/dbraw/zinc/64/43/49/351644349.db2.gz WCRXNLHTKZFVNR-UWVGGRQHSA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000637805005 351644761 /nfs/dbraw/zinc/64/47/61/351644761.db2.gz WCRXNLHTKZFVNR-VHSXEESVSA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000637805006 351644753 /nfs/dbraw/zinc/64/47/53/351644753.db2.gz WCRXNLHTKZFVNR-ZJUUUORDSA-N 2 0 209.293 -0.098 20 0 BBADRP C[C@]1(C(=O)NCC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637805084 351644732 /nfs/dbraw/zinc/64/47/32/351644732.db2.gz ITHATDJEXVKBER-GFCCVEGCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(C(=O)NCC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637805088 351644484 /nfs/dbraw/zinc/64/44/84/351644484.db2.gz ITHATDJEXVKBER-LBPRGKRZSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CCC1C[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000637805095 351644379 /nfs/dbraw/zinc/64/43/79/351644379.db2.gz JDQWAQCTFKNNEK-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(CCC1C[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000637805096 351644739 /nfs/dbraw/zinc/64/47/39/351644739.db2.gz JDQWAQCTFKNNEK-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(CN1CC[NH2+]CC1)NCC1CC[NH2+]CC1 ZINC000637805178 351644530 /nfs/dbraw/zinc/64/45/30/351644530.db2.gz KJDQQAMEDMPROI-UHFFFAOYSA-N 2 0 240.351 -0.993 20 0 BBADRP [NH3+]CC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000637805286 351644768 /nfs/dbraw/zinc/64/47/68/351644768.db2.gz XLJGXBMYYNIPOH-UHFFFAOYSA-N 2 0 240.351 -0.911 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637805505 351641543 /nfs/dbraw/zinc/64/15/43/351641543.db2.gz IRIGAQDLWWCRDB-GXSJLCMTSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637805511 351641277 /nfs/dbraw/zinc/64/12/77/351641277.db2.gz IRIGAQDLWWCRDB-KOLCDFICSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637805513 351641167 /nfs/dbraw/zinc/64/11/67/351641167.db2.gz IRIGAQDLWWCRDB-MWLCHTKSSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637805514 351641252 /nfs/dbraw/zinc/64/12/52/351641252.db2.gz IRIGAQDLWWCRDB-ONGXEEELSA-N 2 0 229.324 -0.521 20 0 BBADRP [NH3+]C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCCOC1 ZINC000637806023 351642337 /nfs/dbraw/zinc/64/23/37/351642337.db2.gz STCBXUVZFDIXAW-CMPLNLGQSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCCOC1 ZINC000637806025 351642173 /nfs/dbraw/zinc/64/21/73/351642173.db2.gz STCBXUVZFDIXAW-JQWIXIFHSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCOC1 ZINC000637806026 351642375 /nfs/dbraw/zinc/64/23/75/351642375.db2.gz STCBXUVZFDIXAW-PWSUYJOCSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]C[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCOC1 ZINC000637806027 351642200 /nfs/dbraw/zinc/64/22/00/351642200.db2.gz STCBXUVZFDIXAW-ZYHUDNBSSA-N 2 0 241.335 -0.390 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000637806060 351642369 /nfs/dbraw/zinc/64/23/69/351642369.db2.gz UCYRAGWFASYVMG-GXSJLCMTSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000637806063 351642330 /nfs/dbraw/zinc/64/23/30/351642330.db2.gz UCYRAGWFASYVMG-KOLCDFICSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000637806064 351642257 /nfs/dbraw/zinc/64/22/57/351642257.db2.gz UCYRAGWFASYVMG-MWLCHTKSSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000637806067 351642003 /nfs/dbraw/zinc/64/20/03/351642003.db2.gz UCYRAGWFASYVMG-ONGXEEELSA-N 2 0 227.308 -0.767 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637806102 351642866 /nfs/dbraw/zinc/64/28/66/351642866.db2.gz OLUDYQVRORCBHL-LLVKDONJSA-N 2 0 229.324 -0.532 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637806103 351643064 /nfs/dbraw/zinc/64/30/64/351643064.db2.gz OLUDYQVRORCBHL-NSHDSACASA-N 2 0 229.324 -0.532 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000637806530 351643745 /nfs/dbraw/zinc/64/37/45/351643745.db2.gz XUDYROZLUWHDTE-JBLDHEPKSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000637806531 351644053 /nfs/dbraw/zinc/64/40/53/351644053.db2.gz XUDYROZLUWHDTE-JFGNBEQYSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000637806532 351643891 /nfs/dbraw/zinc/64/38/91/351643891.db2.gz XUDYROZLUWHDTE-NHCYSSNCSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000637806533 351643965 /nfs/dbraw/zinc/64/39/65/351643965.db2.gz XUDYROZLUWHDTE-SCVCMEIPSA-N 2 0 241.335 -0.378 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000637806645 351644035 /nfs/dbraw/zinc/64/40/35/351644035.db2.gz VAXDADXJLSOFAZ-GFCCVEGCSA-N 2 0 243.351 -0.129 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000637806648 351644026 /nfs/dbraw/zinc/64/40/26/351644026.db2.gz VAXDADXJLSOFAZ-LBPRGKRZSA-N 2 0 243.351 -0.129 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637808346 386372503 /nfs/dbraw/zinc/37/25/03/386372503.db2.gz BWUAVFOXIBOTCX-CMPLNLGQSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637808347 386372799 /nfs/dbraw/zinc/37/27/99/386372799.db2.gz BWUAVFOXIBOTCX-JQWIXIFHSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637808348 386371195 /nfs/dbraw/zinc/37/11/95/386371195.db2.gz BWUAVFOXIBOTCX-PWSUYJOCSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637808349 386371554 /nfs/dbraw/zinc/37/15/54/386371554.db2.gz BWUAVFOXIBOTCX-ZYHUDNBSSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637808786 351645089 /nfs/dbraw/zinc/64/50/89/351645089.db2.gz FOKVPQYGKCQNCI-GFCCVEGCSA-N 2 0 243.351 -0.142 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637808787 351645246 /nfs/dbraw/zinc/64/52/46/351645246.db2.gz FOKVPQYGKCQNCI-LBPRGKRZSA-N 2 0 243.351 -0.142 20 0 BBADRP CC[NH2+]CCCNC(=O)CN1CC[NH2+]CC1 ZINC000637809015 351645607 /nfs/dbraw/zinc/64/56/07/351645607.db2.gz JFAGGNRBEJMRQG-UHFFFAOYSA-N 2 0 228.340 -0.993 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000637809070 351645480 /nfs/dbraw/zinc/64/54/80/351645480.db2.gz KRBWIOKQFZHFPJ-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637809429 351646062 /nfs/dbraw/zinc/64/60/62/351646062.db2.gz QKIHZWBQXWXACH-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637809514 351646305 /nfs/dbraw/zinc/64/63/05/351646305.db2.gz SJVUZWGDIIIKAN-LLVKDONJSA-N 2 0 229.324 -0.519 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637809516 351646258 /nfs/dbraw/zinc/64/62/58/351646258.db2.gz SJVUZWGDIIIKAN-NSHDSACASA-N 2 0 229.324 -0.519 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637809851 398023362 /nfs/dbraw/zinc/02/33/62/398023362.db2.gz BTUGZPXULGYZJT-LLVKDONJSA-N 2 0 238.335 -0.945 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637809855 398023950 /nfs/dbraw/zinc/02/39/50/398023950.db2.gz BTUGZPXULGYZJT-NSHDSACASA-N 2 0 238.335 -0.945 20 0 BBADRP CN(C(=O)CN1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000637810024 351650452 /nfs/dbraw/zinc/65/04/52/351650452.db2.gz AJKZLQCPPDMSHJ-UHFFFAOYSA-N 2 0 240.351 -0.898 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000637811005 351652033 /nfs/dbraw/zinc/65/20/33/351652033.db2.gz LZYSNNQSXMHFLD-JTQLQIEISA-N 2 0 228.340 -0.994 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000637811006 351652006 /nfs/dbraw/zinc/65/20/06/351652006.db2.gz LZYSNNQSXMHFLD-SNVBAGLBSA-N 2 0 228.340 -0.994 20 0 BBADRP COC[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000637811328 351652384 /nfs/dbraw/zinc/65/23/84/351652384.db2.gz JVUZOBVGCLVDHP-CMPLNLGQSA-N 2 0 241.335 -0.377 20 0 BBADRP COC[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000637811330 351652227 /nfs/dbraw/zinc/65/22/27/351652227.db2.gz JVUZOBVGCLVDHP-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000637811331 351652219 /nfs/dbraw/zinc/65/22/19/351652219.db2.gz JVUZOBVGCLVDHP-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000637811334 351652290 /nfs/dbraw/zinc/65/22/90/351652290.db2.gz JVUZOBVGCLVDHP-ZYHUDNBSSA-N 2 0 241.335 -0.377 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000637811524 351653042 /nfs/dbraw/zinc/65/30/42/351653042.db2.gz PPJHFFYVWYLDHK-ATZCPNFKSA-N 2 0 227.308 -0.769 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000637811525 351652840 /nfs/dbraw/zinc/65/28/40/351652840.db2.gz PPJHFFYVWYLDHK-QXEWZRGKSA-N 2 0 227.308 -0.769 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000637811526 351652920 /nfs/dbraw/zinc/65/29/20/351652920.db2.gz PPJHFFYVWYLDHK-WCABBAIRSA-N 2 0 227.308 -0.769 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000637811527 351653172 /nfs/dbraw/zinc/65/31/72/351653172.db2.gz PPJHFFYVWYLDHK-YWVKMMECSA-N 2 0 227.308 -0.769 20 0 BBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000637812353 351648434 /nfs/dbraw/zinc/64/84/34/351648434.db2.gz ROGXPCUFJCXOSJ-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000637812355 351648161 /nfs/dbraw/zinc/64/81/61/351648161.db2.gz ROGXPCUFJCXOSJ-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+]C[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCOC1 ZINC000637812466 351648248 /nfs/dbraw/zinc/64/82/48/351648248.db2.gz SWOROIFQCDSWRM-GXSJLCMTSA-N 2 0 227.308 -0.780 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCOC1 ZINC000637812467 351648576 /nfs/dbraw/zinc/64/85/76/351648576.db2.gz SWOROIFQCDSWRM-KOLCDFICSA-N 2 0 227.308 -0.780 20 0 BBADRP [NH3+]C[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCCOC1 ZINC000637812468 351648649 /nfs/dbraw/zinc/64/86/49/351648649.db2.gz SWOROIFQCDSWRM-MWLCHTKSSA-N 2 0 227.308 -0.780 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CCCOC1 ZINC000637812469 351648204 /nfs/dbraw/zinc/64/82/04/351648204.db2.gz SWOROIFQCDSWRM-ONGXEEELSA-N 2 0 227.308 -0.780 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)C[NH2+]CCO1 ZINC000637814816 351654066 /nfs/dbraw/zinc/65/40/66/351654066.db2.gz AMHQHOGPEYEBMT-CMPLNLGQSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)C[NH2+]CCO1 ZINC000637814817 351653656 /nfs/dbraw/zinc/65/36/56/351653656.db2.gz AMHQHOGPEYEBMT-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2CCCC[NH2+]2)C[NH2+]CCO1 ZINC000637814819 351653838 /nfs/dbraw/zinc/65/38/38/351653838.db2.gz AMHQHOGPEYEBMT-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)C[NH2+]CCO1 ZINC000637814821 351654121 /nfs/dbraw/zinc/65/41/21/351654121.db2.gz AMHQHOGPEYEBMT-ZYHUDNBSSA-N 2 0 241.335 -0.377 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637815149 351653802 /nfs/dbraw/zinc/65/38/02/351653802.db2.gz DOVURLCHTGIZEE-AEJSXWLSSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637815150 351653750 /nfs/dbraw/zinc/65/37/50/351653750.db2.gz DOVURLCHTGIZEE-BBBLOLIVSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000637815527 351654703 /nfs/dbraw/zinc/65/47/03/351654703.db2.gz BCPORZRSQWMISJ-LLVKDONJSA-N 2 0 240.351 -0.769 20 0 BBADRP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCCC[NH2+]2)cn1 ZINC000637815617 351654648 /nfs/dbraw/zinc/65/46/48/351654648.db2.gz HUXMKXNCIPUXIU-JTQLQIEISA-N 2 0 249.318 -0.193 20 0 BBADRP [NH3+]Cc1ncc(C(=O)NC[C@H]2CCCC[NH2+]2)cn1 ZINC000637815631 351655110 /nfs/dbraw/zinc/65/51/10/351655110.db2.gz HUXMKXNCIPUXIU-SNVBAGLBSA-N 2 0 249.318 -0.193 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000637815802 351654709 /nfs/dbraw/zinc/65/47/09/351654709.db2.gz XSZACQXDJNYNTB-CMPLNLGQSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000637815803 351654671 /nfs/dbraw/zinc/65/46/71/351654671.db2.gz XSZACQXDJNYNTB-JQWIXIFHSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000637815804 351654996 /nfs/dbraw/zinc/65/49/96/351654996.db2.gz XSZACQXDJNYNTB-PWSUYJOCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000637815806 351655173 /nfs/dbraw/zinc/65/51/73/351655173.db2.gz XSZACQXDJNYNTB-ZYHUDNBSSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC000637815897 351654739 /nfs/dbraw/zinc/65/47/39/351654739.db2.gz CYRUOEFNJRGDOX-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC000637815898 351655775 /nfs/dbraw/zinc/65/57/75/351655775.db2.gz CYRUOEFNJRGDOX-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1CCCC[NH2+]1 ZINC000637817837 351662464 /nfs/dbraw/zinc/66/24/64/351662464.db2.gz ZJXUPEBIMGRNES-LLVKDONJSA-N 2 0 240.351 -0.850 20 0 BBADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000637817839 351662728 /nfs/dbraw/zinc/66/27/28/351662728.db2.gz ZJXUPEBIMGRNES-NSHDSACASA-N 2 0 240.351 -0.850 20 0 BBADRP C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000637818284 351659022 /nfs/dbraw/zinc/65/90/22/351659022.db2.gz BYCIIXGJMGRVTM-CHWFTXMASA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC000637818285 351659157 /nfs/dbraw/zinc/65/91/57/351659157.db2.gz BYCIIXGJMGRVTM-VPOLOUISSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC000637818286 351659166 /nfs/dbraw/zinc/65/91/66/351659166.db2.gz BYCIIXGJMGRVTM-XWLWVQCSSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000637818287 351658494 /nfs/dbraw/zinc/65/84/94/351658494.db2.gz BYCIIXGJMGRVTM-ZRUFSTJUSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@]1(C(=O)NC2CCC([NH3+])CC2)C[NH2+]CCO1 ZINC000637818837 351658631 /nfs/dbraw/zinc/65/86/31/351658631.db2.gz HYZATMDPHTVDFQ-CBINBANVSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@]1(C(=O)NC2CCC([NH3+])CC2)C[NH2+]CCO1 ZINC000637818838 351658815 /nfs/dbraw/zinc/65/88/15/351658815.db2.gz HYZATMDPHTVDFQ-RTYFJBAXSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637818950 351658695 /nfs/dbraw/zinc/65/86/95/351658695.db2.gz OCCHLZVLQPSMMR-PSASIEDQSA-N 2 0 209.293 -0.146 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637818951 351659740 /nfs/dbraw/zinc/65/97/40/351659740.db2.gz OCCHLZVLQPSMMR-SCZZXKLOSA-N 2 0 209.293 -0.146 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637818952 351660017 /nfs/dbraw/zinc/66/00/17/351660017.db2.gz OCCHLZVLQPSMMR-WCBMZHEXSA-N 2 0 209.293 -0.146 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637818953 351660103 /nfs/dbraw/zinc/66/01/03/351660103.db2.gz OCCHLZVLQPSMMR-WPRPVWTQSA-N 2 0 209.293 -0.146 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000637820802 351660479 /nfs/dbraw/zinc/66/04/79/351660479.db2.gz IDQJNOGGQZZBOL-ATZCPNFKSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000637820803 351660588 /nfs/dbraw/zinc/66/05/88/351660588.db2.gz IDQJNOGGQZZBOL-QXEWZRGKSA-N 2 0 227.308 -0.687 20 0 BBADRP [NH3+]C[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCOC1 ZINC000637821017 351661620 /nfs/dbraw/zinc/66/16/20/351661620.db2.gz MJHOJLKURYTYIT-GXSJLCMTSA-N 2 0 227.308 -0.699 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCOC1 ZINC000637821018 351661474 /nfs/dbraw/zinc/66/14/74/351661474.db2.gz MJHOJLKURYTYIT-ONGXEEELSA-N 2 0 227.308 -0.699 20 0 BBADRP COC[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC000637821512 351665821 /nfs/dbraw/zinc/66/58/21/351665821.db2.gz SFGJWZVWZIFYOJ-CMPLNLGQSA-N 2 0 241.335 -0.295 20 0 BBADRP COC[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC000637821513 351665916 /nfs/dbraw/zinc/66/59/16/351665916.db2.gz SFGJWZVWZIFYOJ-JQWIXIFHSA-N 2 0 241.335 -0.295 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637822213 351666664 /nfs/dbraw/zinc/66/66/64/351666664.db2.gz HYOMUYAEOCKYAI-CMPLNLGQSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637822214 351666484 /nfs/dbraw/zinc/66/64/84/351666484.db2.gz HYOMUYAEOCKYAI-JQWIXIFHSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637822215 351666410 /nfs/dbraw/zinc/66/64/10/351666410.db2.gz HYOMUYAEOCKYAI-PWSUYJOCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637822216 351666596 /nfs/dbraw/zinc/66/65/96/351666596.db2.gz HYOMUYAEOCKYAI-ZYHUDNBSSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000637823264 351668391 /nfs/dbraw/zinc/66/83/91/351668391.db2.gz PSYHASCEMAUACT-VIFPVBQESA-N 2 0 211.309 -0.112 20 0 BBADRP COC[C@@]1(C(=O)NCC[C@H](C)[NH3+])CCCC[NH2+]1 ZINC000637823372 351668318 /nfs/dbraw/zinc/66/83/18/351668318.db2.gz GFYVXKUXPASOHD-CMPLNLGQSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@]1(C(=O)NCC[C@H](C)[NH3+])CCCC[NH2+]1 ZINC000637823373 351668077 /nfs/dbraw/zinc/66/80/77/351668077.db2.gz GFYVXKUXPASOHD-JQWIXIFHSA-N 2 0 243.351 -0.001 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000637823805 351669238 /nfs/dbraw/zinc/66/92/38/351669238.db2.gz JEYWMRGDDDXHQE-ATZCPNFKSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000637823806 351669169 /nfs/dbraw/zinc/66/91/69/351669169.db2.gz JEYWMRGDDDXHQE-QXEWZRGKSA-N 2 0 229.324 -0.393 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637824058 351663822 /nfs/dbraw/zinc/66/38/22/351663822.db2.gz LOGWMUXXIBYRCW-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637824059 351663485 /nfs/dbraw/zinc/66/34/85/351663485.db2.gz LOGWMUXXIBYRCW-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000637824132 351663787 /nfs/dbraw/zinc/66/37/87/351663787.db2.gz LTNFAPPXXKODBV-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637824819 351665373 /nfs/dbraw/zinc/66/53/73/351665373.db2.gz QHUWTEDCMSJDLD-GXSJLCMTSA-N 2 0 229.324 -0.405 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637824823 351665159 /nfs/dbraw/zinc/66/51/59/351665159.db2.gz QHUWTEDCMSJDLD-ONGXEEELSA-N 2 0 229.324 -0.405 20 0 BBADRP C[NH2+]CCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000637825123 351665340 /nfs/dbraw/zinc/66/53/40/351665340.db2.gz VSRICZCQKPKCFO-LLVKDONJSA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000637825124 351665236 /nfs/dbraw/zinc/66/52/36/351665236.db2.gz VSRICZCQKPKCFO-NSHDSACASA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637825154 351665402 /nfs/dbraw/zinc/66/54/02/351665402.db2.gz WPOFKSGOMLDDFB-JTQLQIEISA-N 2 0 215.297 -0.923 20 0 BBADRP C[NH2+]CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637825155 351665223 /nfs/dbraw/zinc/66/52/23/351665223.db2.gz WPOFKSGOMLDDFB-SNVBAGLBSA-N 2 0 215.297 -0.923 20 0 BBADRP C[NH2+]CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637825335 351666032 /nfs/dbraw/zinc/66/60/32/351666032.db2.gz YUMPSFBEQKOXAH-PSASIEDQSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637825342 351665797 /nfs/dbraw/zinc/66/57/97/351665797.db2.gz YUMPSFBEQKOXAH-SCZZXKLOSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637825344 351665883 /nfs/dbraw/zinc/66/58/83/351665883.db2.gz YUMPSFBEQKOXAH-WCBMZHEXSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637825346 351666139 /nfs/dbraw/zinc/66/61/39/351666139.db2.gz YUMPSFBEQKOXAH-WPRPVWTQSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637825361 351665851 /nfs/dbraw/zinc/66/58/51/351665851.db2.gz ZJPMMIWUSMXJOK-UHFFFAOYSA-N 2 0 239.323 -0.606 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637825449 351663700 /nfs/dbraw/zinc/66/37/00/351663700.db2.gz VWSSQJDVEHMDSS-WCBMZHEXSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637825450 351663447 /nfs/dbraw/zinc/66/34/47/351663447.db2.gz VWSSQJDVEHMDSS-WPRPVWTQSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637826240 351672238 /nfs/dbraw/zinc/67/22/38/351672238.db2.gz NJHCWGWHGMPPFF-JTQLQIEISA-N 2 0 215.297 -0.909 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637826241 351672247 /nfs/dbraw/zinc/67/22/47/351672247.db2.gz NJHCWGWHGMPPFF-SNVBAGLBSA-N 2 0 215.297 -0.909 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637826282 351673272 /nfs/dbraw/zinc/67/32/72/351673272.db2.gz OVRDPEDQAINVAP-GXSJLCMTSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637826283 351673235 /nfs/dbraw/zinc/67/32/35/351673235.db2.gz OVRDPEDQAINVAP-KOLCDFICSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637826284 351673348 /nfs/dbraw/zinc/67/33/48/351673348.db2.gz OVRDPEDQAINVAP-MWLCHTKSSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637826285 351673265 /nfs/dbraw/zinc/67/32/65/351673265.db2.gz OVRDPEDQAINVAP-ONGXEEELSA-N 2 0 229.324 -0.521 20 0 BBADRP O=C(CCC1C[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000637826317 351673427 /nfs/dbraw/zinc/67/34/27/351673427.db2.gz ABFSYCNRIWGNRP-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(CCC1C[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000637826322 351673238 /nfs/dbraw/zinc/67/32/38/351673238.db2.gz ABFSYCNRIWGNRP-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000637826353 351673240 /nfs/dbraw/zinc/67/32/40/351673240.db2.gz BCPANZKDKIIXJH-GXSJLCMTSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000637826354 351673413 /nfs/dbraw/zinc/67/34/13/351673413.db2.gz BCPANZKDKIIXJH-KOLCDFICSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000637826355 351673530 /nfs/dbraw/zinc/67/35/30/351673530.db2.gz BCPANZKDKIIXJH-MWLCHTKSSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000637826356 351673288 /nfs/dbraw/zinc/67/32/88/351673288.db2.gz BCPANZKDKIIXJH-ONGXEEELSA-N 2 0 227.308 -0.767 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000637826503 351673205 /nfs/dbraw/zinc/67/32/05/351673205.db2.gz SNRQHHYKBBAXAX-GFCCVEGCSA-N 2 0 243.351 -0.129 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000637826504 351673228 /nfs/dbraw/zinc/67/32/28/351673228.db2.gz SNRQHHYKBBAXAX-LBPRGKRZSA-N 2 0 243.351 -0.129 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637826711 351674133 /nfs/dbraw/zinc/67/41/33/351674133.db2.gz XOPKHZOZNNJAIM-LLVKDONJSA-N 2 0 229.324 -0.532 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637826712 351674303 /nfs/dbraw/zinc/67/43/03/351674303.db2.gz XOPKHZOZNNJAIM-NSHDSACASA-N 2 0 229.324 -0.532 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000637826959 351674952 /nfs/dbraw/zinc/67/49/52/351674952.db2.gz KVNGWHVWIYBYJK-JBLDHEPKSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000637826960 351675056 /nfs/dbraw/zinc/67/50/56/351675056.db2.gz KVNGWHVWIYBYJK-JFGNBEQYSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000637826961 351674748 /nfs/dbraw/zinc/67/47/48/351674748.db2.gz KVNGWHVWIYBYJK-NHCYSSNCSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000637826962 351674996 /nfs/dbraw/zinc/67/49/96/351674996.db2.gz KVNGWHVWIYBYJK-SCVCMEIPSA-N 2 0 241.335 -0.378 20 0 BBADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCOC1 ZINC000637827009 351674860 /nfs/dbraw/zinc/67/48/60/351674860.db2.gz LTZNJODSFSTQIW-CMPLNLGQSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCOC1 ZINC000637827010 351674883 /nfs/dbraw/zinc/67/48/83/351674883.db2.gz LTZNJODSFSTQIW-JQWIXIFHSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCCOC1 ZINC000637827011 351674737 /nfs/dbraw/zinc/67/47/37/351674737.db2.gz LTZNJODSFSTQIW-PWSUYJOCSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCCOC1 ZINC000637827012 351674919 /nfs/dbraw/zinc/67/49/19/351674919.db2.gz LTZNJODSFSTQIW-ZYHUDNBSSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000637827023 351675110 /nfs/dbraw/zinc/67/51/10/351675110.db2.gz MDDWSTNMCQGLJE-NXEZZACHSA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000637827024 351675069 /nfs/dbraw/zinc/67/50/69/351675069.db2.gz MDDWSTNMCQGLJE-UWVGGRQHSA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000637827025 351674723 /nfs/dbraw/zinc/67/47/23/351674723.db2.gz MDDWSTNMCQGLJE-VHSXEESVSA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000637827026 351674820 /nfs/dbraw/zinc/67/48/20/351674820.db2.gz MDDWSTNMCQGLJE-ZJUUUORDSA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)NCC[NH2+]C2CC2)C1 ZINC000637827124 351674841 /nfs/dbraw/zinc/67/48/41/351674841.db2.gz NASPBSANYKUEGZ-SECBINFHSA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)NCC[NH2+]C2CC2)C1 ZINC000637827126 351674949 /nfs/dbraw/zinc/67/49/49/351674949.db2.gz NASPBSANYKUEGZ-VIFPVBQESA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+]C[C@]1(C(=O)NCC[NH2+]C2CC2)CCCOC1 ZINC000637827625 411443001 /nfs/dbraw/zinc/44/30/01/411443001.db2.gz JTXQSIYACXXROP-GFCCVEGCSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]C[C@@]1(C(=O)NCC[NH2+]C2CC2)CCCOC1 ZINC000637827626 411443061 /nfs/dbraw/zinc/44/30/61/411443061.db2.gz JTXQSIYACXXROP-LBPRGKRZSA-N 2 0 241.335 -0.390 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[NH2+]C2CC2)C1 ZINC000637827634 411442894 /nfs/dbraw/zinc/44/28/94/411442894.db2.gz KHZGYNBPPONCLZ-CMPLNLGQSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[NH2+]C2CC2)C1 ZINC000637827635 411443165 /nfs/dbraw/zinc/44/31/65/411443165.db2.gz KHZGYNBPPONCLZ-JQWIXIFHSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[NH2+]C2CC2)C1 ZINC000637827636 411443076 /nfs/dbraw/zinc/44/30/76/411443076.db2.gz KHZGYNBPPONCLZ-PWSUYJOCSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[NH2+]C2CC2)C1 ZINC000637827637 411442921 /nfs/dbraw/zinc/44/29/21/411442921.db2.gz KHZGYNBPPONCLZ-ZYHUDNBSSA-N 2 0 241.335 -0.378 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)CN1CC[NH2+]CC1 ZINC000637828265 351675973 /nfs/dbraw/zinc/67/59/73/351675973.db2.gz DNVXQGXAXGAJNC-UHFFFAOYSA-N 2 0 242.367 -0.604 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637828266 351675869 /nfs/dbraw/zinc/67/58/69/351675869.db2.gz DPFFHSKEPCLBDU-GFCCVEGCSA-N 2 0 243.351 -0.131 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637828267 351675797 /nfs/dbraw/zinc/67/57/97/351675797.db2.gz DPFFHSKEPCLBDU-LBPRGKRZSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000637828476 351677000 /nfs/dbraw/zinc/67/70/00/351677000.db2.gz ZWTQRGSSNFOPKG-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000637828477 351676834 /nfs/dbraw/zinc/67/68/34/351676834.db2.gz ZWTQRGSSNFOPKG-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000637828478 351676941 /nfs/dbraw/zinc/67/69/41/351676941.db2.gz ZWTQRGSSNFOPKG-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000637828479 351676959 /nfs/dbraw/zinc/67/69/59/351676959.db2.gz ZWTQRGSSNFOPKG-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP O=C(CCC1C[NH2+]C1)NCC[NH2+]C1CC1 ZINC000637828569 351676979 /nfs/dbraw/zinc/67/69/79/351676979.db2.gz ROXSSUBXVUORTM-UHFFFAOYSA-N 2 0 211.309 -0.146 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637828901 351677291 /nfs/dbraw/zinc/67/72/91/351677291.db2.gz IMNJONSRNJFWED-VHSXEESVSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@]1(C(=O)NCC[NH2+]C2CC2)C[NH2+]CCO1 ZINC000637828973 411443243 /nfs/dbraw/zinc/44/32/43/411443243.db2.gz UNFHJYBNJMAHOT-LLVKDONJSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(C(=O)NCC[NH2+]C2CC2)C[NH2+]CCO1 ZINC000637828974 411443031 /nfs/dbraw/zinc/44/30/31/411443031.db2.gz UNFHJYBNJMAHOT-NSHDSACASA-N 2 0 227.308 -0.767 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccccc1 ZINC000637831844 351681144 /nfs/dbraw/zinc/68/11/44/351681144.db2.gz GMSXYDMJMWPPJM-QJPTWQEYSA-N 2 0 249.314 -0.081 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccccc1 ZINC000637831845 351680946 /nfs/dbraw/zinc/68/09/46/351680946.db2.gz GMSXYDMJMWPPJM-SDDRHHMPSA-N 2 0 249.314 -0.081 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000637833222 351682999 /nfs/dbraw/zinc/68/29/99/351682999.db2.gz RFEDOYWMTNXHJP-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000637833223 351683283 /nfs/dbraw/zinc/68/32/83/351683283.db2.gz RFEDOYWMTNXHJP-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP C[C@H]([NH3+])CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000637833529 351684248 /nfs/dbraw/zinc/68/42/48/351684248.db2.gz VGVMXEGLDPLMAO-JTQLQIEISA-N 2 0 228.340 -0.913 20 0 BBADRP C[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)[NH+](C)C ZINC000637834281 411443963 /nfs/dbraw/zinc/44/39/63/411443963.db2.gz BISJVOQAYWFICB-LLVKDONJSA-N 2 0 242.367 -0.700 20 0 BBADRP C[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000637834504 351688548 /nfs/dbraw/zinc/68/85/48/351688548.db2.gz XPBJNFBKKBFZFI-CMPLNLGQSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000637834505 351689142 /nfs/dbraw/zinc/68/91/42/351689142.db2.gz XPBJNFBKKBFZFI-JQWIXIFHSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000637834506 351688850 /nfs/dbraw/zinc/68/88/50/351688850.db2.gz XPBJNFBKKBFZFI-PWSUYJOCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000637834507 351688707 /nfs/dbraw/zinc/68/87/07/351688707.db2.gz XPBJNFBKKBFZFI-ZYHUDNBSSA-N 2 0 241.335 -0.519 20 0 BBADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000637834934 351685897 /nfs/dbraw/zinc/68/58/97/351685897.db2.gz BVGHBSRYTBGOOF-NXEZZACHSA-N 2 0 209.293 -0.146 20 0 BBADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000637834935 351685790 /nfs/dbraw/zinc/68/57/90/351685790.db2.gz BVGHBSRYTBGOOF-UWVGGRQHSA-N 2 0 209.293 -0.146 20 0 BBADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000637834936 351685373 /nfs/dbraw/zinc/68/53/73/351685373.db2.gz BVGHBSRYTBGOOF-VHSXEESVSA-N 2 0 209.293 -0.146 20 0 BBADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000637834938 351685456 /nfs/dbraw/zinc/68/54/56/351685456.db2.gz BVGHBSRYTBGOOF-ZJUUUORDSA-N 2 0 209.293 -0.146 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000637835110 351685870 /nfs/dbraw/zinc/68/58/70/351685870.db2.gz DBSGQEBBQLSNLH-JBLDHEPKSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000637835111 351685787 /nfs/dbraw/zinc/68/57/87/351685787.db2.gz DBSGQEBBQLSNLH-JFGNBEQYSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000637835112 351685632 /nfs/dbraw/zinc/68/56/32/351685632.db2.gz DBSGQEBBQLSNLH-NHCYSSNCSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000637835113 351685556 /nfs/dbraw/zinc/68/55/56/351685556.db2.gz DBSGQEBBQLSNLH-SCVCMEIPSA-N 2 0 241.335 -0.426 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637836666 351687984 /nfs/dbraw/zinc/68/79/84/351687984.db2.gz WOYMRAOXVASPOU-CMPLNLGQSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637836667 351688183 /nfs/dbraw/zinc/68/81/83/351688183.db2.gz WOYMRAOXVASPOU-JQWIXIFHSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000637836668 351687991 /nfs/dbraw/zinc/68/79/91/351687991.db2.gz WOYMRAOXVASPOU-PWSUYJOCSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000637836669 351688067 /nfs/dbraw/zinc/68/80/67/351688067.db2.gz WOYMRAOXVASPOU-ZYHUDNBSSA-N 2 0 241.335 -0.567 20 0 BBADRP CN(C(=O)[C@@]1(C)C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000637837063 351690329 /nfs/dbraw/zinc/69/03/29/351690329.db2.gz AXCGEJJCAMMUKW-GXSJLCMTSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)[C@]1(C)C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000637837064 351690393 /nfs/dbraw/zinc/69/03/93/351690393.db2.gz AXCGEJJCAMMUKW-KOLCDFICSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)[C@@]1(C)C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000637837065 351690315 /nfs/dbraw/zinc/69/03/15/351690315.db2.gz AXCGEJJCAMMUKW-MWLCHTKSSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)[C@]1(C)C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000637837066 351690493 /nfs/dbraw/zinc/69/04/93/351690493.db2.gz AXCGEJJCAMMUKW-ONGXEEELSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)CCC1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000637838045 351692773 /nfs/dbraw/zinc/69/27/73/351692773.db2.gz PMKUEWYFRZOCKT-JTQLQIEISA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)CCC1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000637838046 351693000 /nfs/dbraw/zinc/69/30/00/351693000.db2.gz PMKUEWYFRZOCKT-SNVBAGLBSA-N 2 0 211.309 -0.194 20 0 BBADRP CN(C(=O)[C@@]1(C[NH3+])CCCOC1)[C@H]1CC[NH2+]C1 ZINC000637838541 351693691 /nfs/dbraw/zinc/69/36/91/351693691.db2.gz ZQOOFRZVWIVFOO-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP CN(C(=O)[C@]1(C[NH3+])CCCOC1)[C@H]1CC[NH2+]C1 ZINC000637838542 351694247 /nfs/dbraw/zinc/69/42/47/351694247.db2.gz ZQOOFRZVWIVFOO-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP CN(C(=O)[C@]1(C[NH3+])CCCOC1)[C@@H]1CC[NH2+]C1 ZINC000637838543 351693829 /nfs/dbraw/zinc/69/38/29/351693829.db2.gz ZQOOFRZVWIVFOO-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP CN(C(=O)[C@@]1(C[NH3+])CCCOC1)[C@@H]1CC[NH2+]C1 ZINC000637838544 351693792 /nfs/dbraw/zinc/69/37/92/351693792.db2.gz ZQOOFRZVWIVFOO-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CC1(NC(=O)CN2CC[NH2+]CC2)CCCC1 ZINC000637838935 351689686 /nfs/dbraw/zinc/68/96/86/351689686.db2.gz DBKQQWMTFJSQET-UHFFFAOYSA-N 2 0 240.351 -0.721 20 0 BBADRP C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)CC[NH2+]1 ZINC000637839171 351689782 /nfs/dbraw/zinc/68/97/82/351689782.db2.gz AKYRRFRQZHZQFB-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)CCC2C[NH2+]C2)CC[NH2+]1 ZINC000637839172 351689895 /nfs/dbraw/zinc/68/98/95/351689895.db2.gz AKYRRFRQZHZQFB-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000637839300 351690021 /nfs/dbraw/zinc/69/00/21/351690021.db2.gz CAQNADMOEAIONY-GXSJLCMTSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000637839302 351689969 /nfs/dbraw/zinc/68/99/69/351689969.db2.gz CAQNADMOEAIONY-KOLCDFICSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000637839303 351689551 /nfs/dbraw/zinc/68/95/51/351689551.db2.gz CAQNADMOEAIONY-MWLCHTKSSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000637839304 351689958 /nfs/dbraw/zinc/68/99/58/351689958.db2.gz CAQNADMOEAIONY-ONGXEEELSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC000637839364 351690043 /nfs/dbraw/zinc/69/00/43/351690043.db2.gz JDZNUECWKOMECV-AATLWQCWSA-N 2 0 227.308 -0.689 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@@H](C)[NH2+]1 ZINC000637839365 351689613 /nfs/dbraw/zinc/68/96/13/351689613.db2.gz JDZNUECWKOMECV-DOLQZWNJSA-N 2 0 227.308 -0.689 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC000637839366 351689597 /nfs/dbraw/zinc/68/95/97/351689597.db2.gz JDZNUECWKOMECV-QCLAVDOMSA-N 2 0 227.308 -0.689 20 0 BBADRP C[C@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000637839933 351694526 /nfs/dbraw/zinc/69/45/26/351694526.db2.gz FXWCSODNYZMOMP-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000637839934 351694935 /nfs/dbraw/zinc/69/49/35/351694935.db2.gz FXWCSODNYZMOMP-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000637839935 351694441 /nfs/dbraw/zinc/69/44/41/351694441.db2.gz FXWCSODNYZMOMP-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[NH2+]1 ZINC000637839936 351694545 /nfs/dbraw/zinc/69/45/45/351694545.db2.gz FXWCSODNYZMOMP-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000637839941 351694923 /nfs/dbraw/zinc/69/49/23/351694923.db2.gz FZOBKBALQAINEE-PSASIEDQSA-N 2 0 209.293 -0.146 20 0 BBADRP C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000637839942 351694983 /nfs/dbraw/zinc/69/49/83/351694983.db2.gz FZOBKBALQAINEE-SCZZXKLOSA-N 2 0 209.293 -0.146 20 0 BBADRP C[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000637839943 351694836 /nfs/dbraw/zinc/69/48/36/351694836.db2.gz FZOBKBALQAINEE-WCBMZHEXSA-N 2 0 209.293 -0.146 20 0 BBADRP C[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000637839944 351694861 /nfs/dbraw/zinc/69/48/61/351694861.db2.gz FZOBKBALQAINEE-WPRPVWTQSA-N 2 0 209.293 -0.146 20 0 BBADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000637840571 351696020 /nfs/dbraw/zinc/69/60/20/351696020.db2.gz OWLFHOSBSVQKOQ-GHMZBOCLSA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000637840572 351695442 /nfs/dbraw/zinc/69/54/42/351695442.db2.gz OWLFHOSBSVQKOQ-PHIMTYICSA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000637840573 351695472 /nfs/dbraw/zinc/69/54/72/351695472.db2.gz OWLFHOSBSVQKOQ-QWRGUYRKSA-N 2 0 240.351 -0.900 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000637840795 351695701 /nfs/dbraw/zinc/69/57/01/351695701.db2.gz KNJYFWROOWICEM-JBLDHEPKSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000637840797 351696587 /nfs/dbraw/zinc/69/65/87/351696587.db2.gz KNJYFWROOWICEM-JFGNBEQYSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000637840799 351696777 /nfs/dbraw/zinc/69/67/77/351696777.db2.gz KNJYFWROOWICEM-NHCYSSNCSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000637840800 351696876 /nfs/dbraw/zinc/69/68/76/351696876.db2.gz KNJYFWROOWICEM-SCVCMEIPSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000637841055 351696328 /nfs/dbraw/zinc/69/63/28/351696328.db2.gz RKHKAOMMCZBTCK-CKYFFXLPSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000637841057 351696833 /nfs/dbraw/zinc/69/68/33/351696833.db2.gz RKHKAOMMCZBTCK-FOGDFJRCSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000637841059 351696838 /nfs/dbraw/zinc/69/68/38/351696838.db2.gz RKHKAOMMCZBTCK-JFGNBEQYSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000637841060 351696768 /nfs/dbraw/zinc/69/67/68/351696768.db2.gz RKHKAOMMCZBTCK-UMNHJUIQSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@](C[NH3+])(NC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000637842505 351699640 /nfs/dbraw/zinc/69/96/40/351699640.db2.gz QLFDPXCCOVHQRL-GFCCVEGCSA-N 2 0 240.351 -0.865 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000637842506 351700189 /nfs/dbraw/zinc/70/01/89/351700189.db2.gz QLFDPXCCOVHQRL-LBPRGKRZSA-N 2 0 240.351 -0.865 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637842723 351699000 /nfs/dbraw/zinc/69/90/00/351699000.db2.gz ROVRBBRUYMLQMJ-UHFFFAOYSA-N 2 0 242.367 -0.475 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000637843667 351702233 /nfs/dbraw/zinc/70/22/33/351702233.db2.gz BCGZONKZWKBQSW-CKYFFXLPSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000637843680 351702468 /nfs/dbraw/zinc/70/24/68/351702468.db2.gz BCGZONKZWKBQSW-FOGDFJRCSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000637843684 351702395 /nfs/dbraw/zinc/70/23/95/351702395.db2.gz BCGZONKZWKBQSW-JFGNBEQYSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000637843687 351703079 /nfs/dbraw/zinc/70/30/79/351703079.db2.gz BCGZONKZWKBQSW-SCVCMEIPSA-N 2 0 241.335 -0.439 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637845493 411444920 /nfs/dbraw/zinc/44/49/20/411444920.db2.gz YHQDEDWLRIVHCI-LLVKDONJSA-N 2 0 242.367 -0.619 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637845497 411445206 /nfs/dbraw/zinc/44/52/06/411445206.db2.gz YHQDEDWLRIVHCI-NSHDSACASA-N 2 0 242.367 -0.619 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637847734 351703778 /nfs/dbraw/zinc/70/37/78/351703778.db2.gz CHKIWAZBBHZVJI-CMPLNLGQSA-N 2 0 243.351 -0.159 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637847735 351703765 /nfs/dbraw/zinc/70/37/65/351703765.db2.gz CHKIWAZBBHZVJI-JQWIXIFHSA-N 2 0 243.351 -0.159 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637847736 351703900 /nfs/dbraw/zinc/70/39/00/351703900.db2.gz CHKIWAZBBHZVJI-PWSUYJOCSA-N 2 0 243.351 -0.159 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637847737 351703791 /nfs/dbraw/zinc/70/37/91/351703791.db2.gz CHKIWAZBBHZVJI-ZYHUDNBSSA-N 2 0 243.351 -0.159 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637848077 351708311 /nfs/dbraw/zinc/70/83/11/351708311.db2.gz GCLDYGILXXYODU-DJLDLDEBSA-N 2 0 215.297 -0.798 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637848078 351708241 /nfs/dbraw/zinc/70/82/41/351708241.db2.gz GCLDYGILXXYODU-XHNCKOQMSA-N 2 0 215.297 -0.798 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000637848445 351706224 /nfs/dbraw/zinc/70/62/24/351706224.db2.gz IFGPMNWAPOGDCU-HOSYDEDBSA-N 2 0 243.351 -0.147 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000637848446 351706127 /nfs/dbraw/zinc/70/61/27/351706127.db2.gz IFGPMNWAPOGDCU-JBLDHEPKSA-N 2 0 243.351 -0.147 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000637848447 351706119 /nfs/dbraw/zinc/70/61/19/351706119.db2.gz IFGPMNWAPOGDCU-NHCYSSNCSA-N 2 0 243.351 -0.147 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000637848448 351706181 /nfs/dbraw/zinc/70/61/81/351706181.db2.gz IFGPMNWAPOGDCU-UMNHJUIQSA-N 2 0 243.351 -0.147 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637851983 351710574 /nfs/dbraw/zinc/71/05/74/351710574.db2.gz LUMRFJAYHVHGOQ-GFCCVEGCSA-N 2 0 242.367 -0.619 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637851985 351710215 /nfs/dbraw/zinc/71/02/15/351710215.db2.gz LUMRFJAYHVHGOQ-LBPRGKRZSA-N 2 0 242.367 -0.619 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637852048 351710262 /nfs/dbraw/zinc/71/02/62/351710262.db2.gz ACILUIGTVXRAQT-LLVKDONJSA-N 2 0 229.324 -0.451 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637852049 351710367 /nfs/dbraw/zinc/71/03/67/351710367.db2.gz ACILUIGTVXRAQT-NSHDSACASA-N 2 0 229.324 -0.451 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637852075 351710071 /nfs/dbraw/zinc/71/00/71/351710071.db2.gz BDYIJIKVWQGGKD-JTQLQIEISA-N 2 0 215.297 -0.828 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637852076 351710163 /nfs/dbraw/zinc/71/01/63/351710163.db2.gz BDYIJIKVWQGGKD-SNVBAGLBSA-N 2 0 215.297 -0.828 20 0 BBADRP COC[C@@]1(C(=O)N(C)CCC[NH3+])CCCC[NH2+]1 ZINC000637853083 351708852 /nfs/dbraw/zinc/70/88/52/351708852.db2.gz KXAMYPDCVSPUEC-GFCCVEGCSA-N 2 0 243.351 -0.048 20 0 BBADRP COC[C@]1(C(=O)N(C)CCC[NH3+])CCCC[NH2+]1 ZINC000637853084 351709059 /nfs/dbraw/zinc/70/90/59/351709059.db2.gz KXAMYPDCVSPUEC-LBPRGKRZSA-N 2 0 243.351 -0.048 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)CCC[NH3+])C1 ZINC000637853676 351709756 /nfs/dbraw/zinc/70/97/56/351709756.db2.gz QZGYFLPWHZNHBV-GXSJLCMTSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)CCC[NH3+])C1 ZINC000637853678 351709470 /nfs/dbraw/zinc/70/94/70/351709470.db2.gz QZGYFLPWHZNHBV-KOLCDFICSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)CCC[NH3+])C1 ZINC000637853680 351709725 /nfs/dbraw/zinc/70/97/25/351709725.db2.gz QZGYFLPWHZNHBV-MWLCHTKSSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)CCC[NH3+])C1 ZINC000637853682 351709737 /nfs/dbraw/zinc/70/97/37/351709737.db2.gz QZGYFLPWHZNHBV-ONGXEEELSA-N 2 0 229.324 -0.439 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000637855105 386447900 /nfs/dbraw/zinc/44/79/00/386447900.db2.gz QCCAQWVRQDSJEW-NXEZZACHSA-N 2 0 209.293 -0.113 20 0 BBADRP [NH3+]C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000637855106 386447815 /nfs/dbraw/zinc/44/78/15/386447815.db2.gz QCCAQWVRQDSJEW-UWVGGRQHSA-N 2 0 209.293 -0.113 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000637855107 386445657 /nfs/dbraw/zinc/44/56/57/386445657.db2.gz QCCAQWVRQDSJEW-VHSXEESVSA-N 2 0 209.293 -0.113 20 0 BBADRP [NH3+]C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000637855108 386446683 /nfs/dbraw/zinc/44/66/83/386446683.db2.gz QCCAQWVRQDSJEW-ZJUUUORDSA-N 2 0 209.293 -0.113 20 0 BBADRP [NH3+]C[C@H](NC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000637856102 351715336 /nfs/dbraw/zinc/71/53/36/351715336.db2.gz WDCVPUINVWPBTQ-JTQLQIEISA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C[C@@H](NC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000637856103 351715416 /nfs/dbraw/zinc/71/54/16/351715416.db2.gz WDCVPUINVWPBTQ-SNVBAGLBSA-N 2 0 211.309 -0.161 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[NH3+])C1 ZINC000637856922 351717190 /nfs/dbraw/zinc/71/71/90/351717190.db2.gz DVPAQXSHBKAOQR-GZMMTYOYSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[NH3+])C1 ZINC000637856923 351716926 /nfs/dbraw/zinc/71/69/26/351716926.db2.gz DVPAQXSHBKAOQR-KCJUWKMLSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[NH3+])C1 ZINC000637856924 351716783 /nfs/dbraw/zinc/71/67/83/351716783.db2.gz DVPAQXSHBKAOQR-KWQFWETISA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[NH3+])C1 ZINC000637856926 351716895 /nfs/dbraw/zinc/71/68/95/351716895.db2.gz DVPAQXSHBKAOQR-LDYMZIIASA-N 2 0 229.324 -0.393 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637857251 351718046 /nfs/dbraw/zinc/71/80/46/351718046.db2.gz HXVOXBNNDOLWCT-LLVKDONJSA-N 2 0 229.324 -0.405 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637857252 351717709 /nfs/dbraw/zinc/71/77/09/351717709.db2.gz HXVOXBNNDOLWCT-NSHDSACASA-N 2 0 229.324 -0.405 20 0 BBADRP COC[C@@]1(C(=O)NCC(C)(C)[NH3+])CCCC[NH2+]1 ZINC000637857790 351718861 /nfs/dbraw/zinc/71/88/61/351718861.db2.gz PJDDAGRQFAQJDN-GFCCVEGCSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@]1(C(=O)NCC(C)(C)[NH3+])CCCC[NH2+]1 ZINC000637857791 351718975 /nfs/dbraw/zinc/71/89/75/351718975.db2.gz PJDDAGRQFAQJDN-LBPRGKRZSA-N 2 0 243.351 -0.001 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC000637858152 351719530 /nfs/dbraw/zinc/71/95/30/351719530.db2.gz ZNNGZJVOCIRIBT-UHFFFAOYSA-N 2 0 240.351 -0.898 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637858275 351719522 /nfs/dbraw/zinc/71/95/22/351719522.db2.gz YDJHKCZLPXETCH-NXEZZACHSA-N 2 0 209.293 -0.016 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637858277 351719410 /nfs/dbraw/zinc/71/94/10/351719410.db2.gz YDJHKCZLPXETCH-VHSXEESVSA-N 2 0 209.293 -0.016 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637858465 351720284 /nfs/dbraw/zinc/72/02/84/351720284.db2.gz DUSSKNALLSYSAE-DTWKUNHWSA-N 2 0 229.324 -0.264 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)CN1CC[NH2+]CC1 ZINC000637858805 351720604 /nfs/dbraw/zinc/72/06/04/351720604.db2.gz OLBLDFVFMVHBHW-UHFFFAOYSA-N 2 0 242.367 -0.475 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859896 351721377 /nfs/dbraw/zinc/72/13/77/351721377.db2.gz RHYNVYXBXDFOGK-YTWAJWBKSA-N 2 0 239.319 -0.545 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637861992 351722703 /nfs/dbraw/zinc/72/27/03/351722703.db2.gz LXQGWXTVLGKCFT-GFCCVEGCSA-N 2 0 243.351 -0.192 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637861993 351722798 /nfs/dbraw/zinc/72/27/98/351722798.db2.gz LXQGWXTVLGKCFT-LBPRGKRZSA-N 2 0 243.351 -0.192 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC000637862171 351723179 /nfs/dbraw/zinc/72/31/79/351723179.db2.gz LDSQZFBDLJGAHD-UHFFFAOYSA-N 2 0 242.367 -0.665 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637862793 351723855 /nfs/dbraw/zinc/72/38/55/351723855.db2.gz VYMIPZWHQIDOCZ-DTWKUNHWSA-N 2 0 229.324 -0.454 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637863129 644551280 /nfs/dbraw/zinc/55/12/80/644551280.db2.gz ZACOXWIQKUJHSG-GARJFASQSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637863142 641767748 /nfs/dbraw/zinc/76/77/48/641767748.db2.gz ZACOXWIQKUJHSG-OUAUKWLOSA-N 2 0 243.351 -0.066 20 0 BBADRP CC[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+](C)C ZINC000637863407 398032352 /nfs/dbraw/zinc/03/23/52/398032352.db2.gz BIKSOBIHSFXKBP-GHMZBOCLSA-N 2 0 242.367 -0.572 20 0 BBADRP CC[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+](C)C ZINC000637863408 398032268 /nfs/dbraw/zinc/03/22/68/398032268.db2.gz BIKSOBIHSFXKBP-MNOVXSKESA-N 2 0 242.367 -0.572 20 0 BBADRP CC[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000637863409 398032488 /nfs/dbraw/zinc/03/24/88/398032488.db2.gz BIKSOBIHSFXKBP-QWRGUYRKSA-N 2 0 242.367 -0.572 20 0 BBADRP CC[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000637863410 398032409 /nfs/dbraw/zinc/03/24/09/398032409.db2.gz BIKSOBIHSFXKBP-WDEREUQCSA-N 2 0 242.367 -0.572 20 0 BBADRP CN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000637864502 351725677 /nfs/dbraw/zinc/72/56/77/351725677.db2.gz RXLIWCPPCMSYNC-GHMZBOCLSA-N 2 0 238.335 -0.865 20 0 BBADRP CN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000637864503 351725870 /nfs/dbraw/zinc/72/58/70/351725870.db2.gz RXLIWCPPCMSYNC-MNOVXSKESA-N 2 0 238.335 -0.865 20 0 BBADRP CN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000637864504 351725948 /nfs/dbraw/zinc/72/59/48/351725948.db2.gz RXLIWCPPCMSYNC-QWRGUYRKSA-N 2 0 238.335 -0.865 20 0 BBADRP CN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000637864505 351725963 /nfs/dbraw/zinc/72/59/63/351725963.db2.gz RXLIWCPPCMSYNC-WDEREUQCSA-N 2 0 238.335 -0.865 20 0 BBADRP COC1CC(C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000637864814 351723614 /nfs/dbraw/zinc/72/36/14/351723614.db2.gz XWGOYGHNXGLSRX-HSOILSAZSA-N 2 0 241.335 -0.487 20 0 BBADRP COC1CC(C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000637864815 351723526 /nfs/dbraw/zinc/72/35/26/351723526.db2.gz XWGOYGHNXGLSRX-YVNMAJEFSA-N 2 0 241.335 -0.487 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637866373 351726564 /nfs/dbraw/zinc/72/65/64/351726564.db2.gz LMBVQXOQICIJQI-LLVKDONJSA-N 2 0 242.367 -0.475 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000637866374 351726574 /nfs/dbraw/zinc/72/65/74/351726574.db2.gz LMBVQXOQICIJQI-NSHDSACASA-N 2 0 242.367 -0.475 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637867222 351728265 /nfs/dbraw/zinc/72/82/65/351728265.db2.gz SYFBXQVXAIRHSG-CMPLNLGQSA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637867223 351728276 /nfs/dbraw/zinc/72/82/76/351728276.db2.gz SYFBXQVXAIRHSG-JQWIXIFHSA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637867224 351728201 /nfs/dbraw/zinc/72/82/01/351728201.db2.gz SYFBXQVXAIRHSG-PWSUYJOCSA-N 2 0 243.351 -0.001 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637867225 351728098 /nfs/dbraw/zinc/72/80/98/351728098.db2.gz SYFBXQVXAIRHSG-ZYHUDNBSSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000637867275 351725703 /nfs/dbraw/zinc/72/57/03/351725703.db2.gz SLBURJSVBLEASA-AEJSXWLSSA-N 2 0 229.324 -0.489 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CCO1 ZINC000637867277 351725648 /nfs/dbraw/zinc/72/56/48/351725648.db2.gz SLBURJSVBLEASA-BBBLOLIVSA-N 2 0 229.324 -0.489 20 0 BBADRP C[C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000637867280 351725942 /nfs/dbraw/zinc/72/59/42/351725942.db2.gz SLBURJSVBLEASA-IVZWLZJFSA-N 2 0 229.324 -0.489 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CCO1 ZINC000637867283 351725936 /nfs/dbraw/zinc/72/59/36/351725936.db2.gz SLBURJSVBLEASA-OPRDCNLKSA-N 2 0 229.324 -0.489 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637867584 351731522 /nfs/dbraw/zinc/73/15/22/351731522.db2.gz VMGLMKIANJEWES-KXUCPTDWSA-N 2 0 229.324 -0.264 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637867585 351730999 /nfs/dbraw/zinc/73/09/99/351730999.db2.gz VMGLMKIANJEWES-LPEHRKFASA-N 2 0 229.324 -0.264 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000637867756 351731488 /nfs/dbraw/zinc/73/14/88/351731488.db2.gz XIWGRWMJXXGWKV-GDPRMGEGSA-N 2 0 239.319 -0.392 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000637867757 351731505 /nfs/dbraw/zinc/73/15/05/351731505.db2.gz XIWGRWMJXXGWKV-INTQDDNPSA-N 2 0 239.319 -0.392 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000637867760 351731323 /nfs/dbraw/zinc/73/13/23/351731323.db2.gz XIWGRWMJXXGWKV-JMJZKYOTSA-N 2 0 239.319 -0.392 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000637867761 351731533 /nfs/dbraw/zinc/73/15/33/351731533.db2.gz XIWGRWMJXXGWKV-LSJOCFKGSA-N 2 0 239.319 -0.392 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000637868580 351733374 /nfs/dbraw/zinc/73/33/74/351733374.db2.gz XYNXGCVNVNDGCF-AEJSXWLSSA-N 2 0 229.324 -0.441 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000637868582 351733297 /nfs/dbraw/zinc/73/32/97/351733297.db2.gz XYNXGCVNVNDGCF-BBBLOLIVSA-N 2 0 229.324 -0.441 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000637868584 351733085 /nfs/dbraw/zinc/73/30/85/351733085.db2.gz XYNXGCVNVNDGCF-IVZWLZJFSA-N 2 0 229.324 -0.441 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000637868585 351732830 /nfs/dbraw/zinc/73/28/30/351732830.db2.gz XYNXGCVNVNDGCF-OPRDCNLKSA-N 2 0 229.324 -0.441 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638046904 351925816 /nfs/dbraw/zinc/92/58/16/351925816.db2.gz CIBHGATWGWFFBS-GARJFASQSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638046912 351925877 /nfs/dbraw/zinc/92/58/77/351925877.db2.gz JVVYVJJEYQRGBF-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638046919 351925642 /nfs/dbraw/zinc/92/56/42/351925642.db2.gz CIBHGATWGWFFBS-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638047190 351926831 /nfs/dbraw/zinc/92/68/31/351926831.db2.gz LQEFJSXGNZDYHH-GFCCVEGCSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638047191 351926521 /nfs/dbraw/zinc/92/65/21/351926521.db2.gz LQEFJSXGNZDYHH-LBPRGKRZSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638047419 351926448 /nfs/dbraw/zinc/92/64/48/351926448.db2.gz HOPVYKOXWXIRCC-LLVKDONJSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638047420 351926702 /nfs/dbraw/zinc/92/67/02/351926702.db2.gz HOPVYKOXWXIRCC-NSHDSACASA-N 2 0 229.324 -0.567 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+](C)C)C1 ZINC000638047504 351926749 /nfs/dbraw/zinc/92/67/49/351926749.db2.gz JVQPRKPZMIZIJJ-CMPLNLGQSA-N 2 0 243.351 -0.179 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+](C)C)C1 ZINC000638047505 351926673 /nfs/dbraw/zinc/92/66/73/351926673.db2.gz JVQPRKPZMIZIJJ-JQWIXIFHSA-N 2 0 243.351 -0.179 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC[NH+](C)C)C1 ZINC000638047506 351926583 /nfs/dbraw/zinc/92/65/83/351926583.db2.gz JVQPRKPZMIZIJJ-PWSUYJOCSA-N 2 0 243.351 -0.179 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC[NH+](C)C)C1 ZINC000638047507 351926782 /nfs/dbraw/zinc/92/67/82/351926782.db2.gz JVQPRKPZMIZIJJ-ZYHUDNBSSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638047611 351924772 /nfs/dbraw/zinc/92/47/72/351924772.db2.gz IIYVYPDLUFEXEN-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638047799 351924641 /nfs/dbraw/zinc/92/46/41/351924641.db2.gz MLUXKCWAKXUIDL-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638048273 398066760 /nfs/dbraw/zinc/06/67/60/398066760.db2.gz PZEYCCYEEJJWMA-GFCCVEGCSA-N 2 0 243.351 -0.190 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638048274 398066977 /nfs/dbraw/zinc/06/69/77/398066977.db2.gz PZEYCCYEEJJWMA-LBPRGKRZSA-N 2 0 243.351 -0.190 20 0 BBADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638049082 351926802 /nfs/dbraw/zinc/92/68/02/351926802.db2.gz UBQYXPZUZBKPEE-VHSXEESVSA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638050266 351928054 /nfs/dbraw/zinc/92/80/54/351928054.db2.gz MXKNJZKICYIPOS-GFCCVEGCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638050268 351927996 /nfs/dbraw/zinc/92/79/96/351927996.db2.gz MXKNJZKICYIPOS-LBPRGKRZSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638050927 351929414 /nfs/dbraw/zinc/92/94/14/351929414.db2.gz VVNVHXDLEVDJFN-DTWKUNHWSA-N 2 0 229.324 -0.441 20 0 BBADRP CC[NH+]1CCC(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638051912 351929451 /nfs/dbraw/zinc/92/94/51/351929451.db2.gz UTGZIZXBLSCZHD-WDEREUQCSA-N 2 0 241.335 -0.297 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000638053223 351931110 /nfs/dbraw/zinc/93/11/10/351931110.db2.gz IBGHLSJECOKLCD-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000638055202 351930463 /nfs/dbraw/zinc/93/04/63/351930463.db2.gz GQDOIOMKCAWYCV-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000638057612 351931812 /nfs/dbraw/zinc/93/18/12/351931812.db2.gz OFXYMMYOKGBMIX-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@]1(C(=O)NCC[NH+]2CCCC2)C[NH2+]CCO1 ZINC000638059801 351933136 /nfs/dbraw/zinc/93/31/36/351933136.db2.gz XFYBXSFGMWJJOT-GFCCVEGCSA-N 2 0 241.335 -0.423 20 0 BBADRP C[C@@]1(C(=O)NCC[NH+]2CCCC2)C[NH2+]CCO1 ZINC000638059802 351933602 /nfs/dbraw/zinc/93/36/02/351933602.db2.gz XFYBXSFGMWJJOT-LBPRGKRZSA-N 2 0 241.335 -0.423 20 0 BBADRP C[NH+](C)CCCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638066234 351937612 /nfs/dbraw/zinc/93/76/12/351937612.db2.gz FYEPCBPWLUWJBR-GFCCVEGCSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638066236 351938155 /nfs/dbraw/zinc/93/81/55/351938155.db2.gz FYEPCBPWLUWJBR-LBPRGKRZSA-N 2 0 243.351 -0.177 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638071964 351943263 /nfs/dbraw/zinc/94/32/63/351943263.db2.gz IZYVNCFDLZPPPI-CMPLNLGQSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638071965 351943252 /nfs/dbraw/zinc/94/32/52/351943252.db2.gz IZYVNCFDLZPPPI-JQWIXIFHSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638071966 351943807 /nfs/dbraw/zinc/94/38/07/351943807.db2.gz IZYVNCFDLZPPPI-PWSUYJOCSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638071967 351943837 /nfs/dbraw/zinc/94/38/37/351943837.db2.gz IZYVNCFDLZPPPI-ZYHUDNBSSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638075301 351947290 /nfs/dbraw/zinc/94/72/90/351947290.db2.gz DKHMNNIZFLWQBW-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638075303 351947009 /nfs/dbraw/zinc/94/70/09/351947009.db2.gz DKHMNNIZFLWQBW-LPEHRKFASA-N 2 0 227.308 -0.687 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638075645 351947550 /nfs/dbraw/zinc/94/75/50/351947550.db2.gz GATAHDWUEOHSER-CMPLNLGQSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638075647 351947859 /nfs/dbraw/zinc/94/78/59/351947859.db2.gz GATAHDWUEOHSER-JQWIXIFHSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638075649 351947517 /nfs/dbraw/zinc/94/75/17/351947517.db2.gz GATAHDWUEOHSER-PWSUYJOCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638075651 351948001 /nfs/dbraw/zinc/94/80/01/351948001.db2.gz GATAHDWUEOHSER-ZYHUDNBSSA-N 2 0 241.335 -0.425 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638077283 351947072 /nfs/dbraw/zinc/94/70/72/351947072.db2.gz PTIKOIMFTZCAPF-GARJFASQSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638077284 351947310 /nfs/dbraw/zinc/94/73/10/351947310.db2.gz PTIKOIMFTZCAPF-OUAUKWLOSA-N 2 0 243.351 -0.051 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC1 ZINC000638077403 385796326 /nfs/dbraw/zinc/79/63/26/385796326.db2.gz RYXWRSXCJMHBOY-GARJFASQSA-N 2 0 241.335 -0.441 20 0 BBADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC1 ZINC000638077404 385797832 /nfs/dbraw/zinc/79/78/32/385797832.db2.gz RYXWRSXCJMHBOY-HBNTYKKESA-N 2 0 241.335 -0.441 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638077739 351950869 /nfs/dbraw/zinc/95/08/69/351950869.db2.gz VWWFVJIPBWTKGO-JTQLQIEISA-N 2 0 249.318 -0.241 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638077741 351951066 /nfs/dbraw/zinc/95/10/66/351951066.db2.gz VWWFVJIPBWTKGO-SNVBAGLBSA-N 2 0 249.318 -0.241 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638078746 351951718 /nfs/dbraw/zinc/95/17/18/351951718.db2.gz NEASRMMRDMIVIK-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638078747 351951801 /nfs/dbraw/zinc/95/18/01/351951801.db2.gz NEASRMMRDMIVIK-LPEHRKFASA-N 2 0 227.308 -0.687 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638078817 351951688 /nfs/dbraw/zinc/95/16/88/351951688.db2.gz NXMOIRASTLBMHW-CMPLNLGQSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638078819 351951943 /nfs/dbraw/zinc/95/19/43/351951943.db2.gz NXMOIRASTLBMHW-JQWIXIFHSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638078820 351951729 /nfs/dbraw/zinc/95/17/29/351951729.db2.gz NXMOIRASTLBMHW-PWSUYJOCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638078821 351952094 /nfs/dbraw/zinc/95/20/94/351952094.db2.gz NXMOIRASTLBMHW-ZYHUDNBSSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+](C)C ZINC000638079200 351954506 /nfs/dbraw/zinc/95/45/06/351954506.db2.gz CSVRPNDSRJMWHB-HRDYMLBCSA-N 2 0 215.297 -0.831 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+](C)C ZINC000638079401 351954606 /nfs/dbraw/zinc/95/46/06/351954606.db2.gz CSVRPNDSRJMWHB-XHNCKOQMSA-N 2 0 215.297 -0.831 20 0 BBADRP C[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[NH+](C)C ZINC000638079917 351952886 /nfs/dbraw/zinc/95/28/86/351952886.db2.gz JSSLWAOMMLQUCM-CMPLNLGQSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)[NH+](C)C ZINC000638079920 351952609 /nfs/dbraw/zinc/95/26/09/351952609.db2.gz JSSLWAOMMLQUCM-JQWIXIFHSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)[NH+](C)C ZINC000638079922 351952405 /nfs/dbraw/zinc/95/24/05/351952405.db2.gz JSSLWAOMMLQUCM-PWSUYJOCSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[NH+](C)C ZINC000638079924 351952417 /nfs/dbraw/zinc/95/24/17/351952417.db2.gz JSSLWAOMMLQUCM-ZYHUDNBSSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+](C)C ZINC000638079934 351952852 /nfs/dbraw/zinc/95/28/52/351952852.db2.gz JWQZYNOVLPRDNB-GXSJLCMTSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[NH+](C)C ZINC000638079937 351952472 /nfs/dbraw/zinc/95/24/72/351952472.db2.gz JWQZYNOVLPRDNB-KOLCDFICSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+](C)C ZINC000638079939 351952931 /nfs/dbraw/zinc/95/29/31/351952931.db2.gz JWQZYNOVLPRDNB-MWLCHTKSSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[NH+](C)C ZINC000638079942 351952873 /nfs/dbraw/zinc/95/28/73/351952873.db2.gz JWQZYNOVLPRDNB-ONGXEEELSA-N 2 0 229.324 -0.569 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000638081138 351954557 /nfs/dbraw/zinc/95/45/57/351954557.db2.gz VRUCPOBQAOHBTH-JBLDHEPKSA-N 2 0 243.351 -0.180 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000638081139 351954597 /nfs/dbraw/zinc/95/45/97/351954597.db2.gz VRUCPOBQAOHBTH-JFGNBEQYSA-N 2 0 243.351 -0.180 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000638081140 351954278 /nfs/dbraw/zinc/95/42/78/351954278.db2.gz VRUCPOBQAOHBTH-NHCYSSNCSA-N 2 0 243.351 -0.180 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000638081141 351954563 /nfs/dbraw/zinc/95/45/63/351954563.db2.gz VRUCPOBQAOHBTH-SCVCMEIPSA-N 2 0 243.351 -0.180 20 0 BBADRP C[N@H+](CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC1 ZINC000638081656 351954378 /nfs/dbraw/zinc/95/43/78/351954378.db2.gz BILLOALGKLWNCA-VHSXEESVSA-N 2 0 227.308 -0.687 20 0 BBADRP C[N@H+](CCNC(=O)c1cnc(C[NH3+])nc1)C1CC1 ZINC000638083441 351958156 /nfs/dbraw/zinc/95/81/56/351958156.db2.gz LUSSDBZQNBNFHQ-UHFFFAOYSA-N 2 0 249.318 -0.241 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638085851 351963008 /nfs/dbraw/zinc/96/30/08/351963008.db2.gz UIORAKAJLDNOGN-KXUCPTDWSA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638085853 351963177 /nfs/dbraw/zinc/96/31/77/351963177.db2.gz UIORAKAJLDNOGN-LPEHRKFASA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638085991 351963211 /nfs/dbraw/zinc/96/32/11/351963211.db2.gz VQGUOERQSUNKDJ-CMPLNLGQSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638085992 351963227 /nfs/dbraw/zinc/96/32/27/351963227.db2.gz VQGUOERQSUNKDJ-JQWIXIFHSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638085993 351962932 /nfs/dbraw/zinc/96/29/32/351962932.db2.gz VQGUOERQSUNKDJ-PWSUYJOCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638085994 351962873 /nfs/dbraw/zinc/96/28/73/351962873.db2.gz VQGUOERQSUNKDJ-ZYHUDNBSSA-N 2 0 243.351 -0.179 20 0 BBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638086056 351962410 /nfs/dbraw/zinc/96/24/10/351962410.db2.gz OPSMBHDLRYRUJW-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638086058 351962074 /nfs/dbraw/zinc/96/20/74/351962074.db2.gz OPSMBHDLRYRUJW-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638086299 351964207 /nfs/dbraw/zinc/96/42/07/351964207.db2.gz XUUPXCGGWUPWNS-GDPRMGEGSA-N 2 0 239.319 -0.545 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638086301 351964033 /nfs/dbraw/zinc/96/40/33/351964033.db2.gz XUUPXCGGWUPWNS-IEBDPFPHSA-N 2 0 239.319 -0.545 20 0 BBADRP Nc1ncc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(N)n1 ZINC000638089281 351966237 /nfs/dbraw/zinc/96/62/37/351966237.db2.gz MGLNVQVHSOSMBN-WCBMZHEXSA-N 2 0 248.334 -0.514 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCCN1CCO[C@@H](C)C1 ZINC000638089542 351966217 /nfs/dbraw/zinc/96/62/17/351966217.db2.gz AZGWRKWETFWHHR-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCCN1CCO[C@H](C)C1 ZINC000638089543 351966252 /nfs/dbraw/zinc/96/62/52/351966252.db2.gz AZGWRKWETFWHHR-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638090787 351968500 /nfs/dbraw/zinc/96/85/00/351968500.db2.gz YTJDWFOLCYPKCP-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638091368 351968353 /nfs/dbraw/zinc/96/83/53/351968353.db2.gz MGQLGXPQXWWZHU-LLVKDONJSA-N 2 0 241.335 -0.272 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638091370 351968293 /nfs/dbraw/zinc/96/82/93/351968293.db2.gz MGQLGXPQXWWZHU-NSHDSACASA-N 2 0 241.335 -0.272 20 0 BBADRP COCC[N@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638091707 351970252 /nfs/dbraw/zinc/97/02/52/351970252.db2.gz QDJXCJJQGFGTEM-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000638092561 351969122 /nfs/dbraw/zinc/96/91/22/351969122.db2.gz YHAAOCIUTVIUHI-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000638092586 351968942 /nfs/dbraw/zinc/96/89/42/351968942.db2.gz YHAAOCIUTVIUHI-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC1 ZINC000638095671 351975421 /nfs/dbraw/zinc/97/54/21/351975421.db2.gz BFZHOQFAKLCNMY-WDEREUQCSA-N 2 0 241.335 -0.297 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638095673 351975379 /nfs/dbraw/zinc/97/53/79/351975379.db2.gz BIYKETXLXVJMBP-VHSXEESVSA-N 2 0 229.324 -0.441 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638096760 351977105 /nfs/dbraw/zinc/97/71/05/351977105.db2.gz LPOMUZBIEQHGSE-GARJFASQSA-N 2 0 241.335 -0.345 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638096761 351976764 /nfs/dbraw/zinc/97/67/64/351976764.db2.gz LPOMUZBIEQHGSE-OUAUKWLOSA-N 2 0 241.335 -0.345 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638096915 351976668 /nfs/dbraw/zinc/97/66/68/351976668.db2.gz NLJAEVRADMYTNO-GFCCVEGCSA-N 2 0 243.351 -0.179 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638096916 351976722 /nfs/dbraw/zinc/97/67/22/351976722.db2.gz NLJAEVRADMYTNO-LBPRGKRZSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638097953 351979914 /nfs/dbraw/zinc/97/99/14/351979914.db2.gz YBTSAFFMCAUXSA-GARJFASQSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638097954 351979554 /nfs/dbraw/zinc/97/95/54/351979554.db2.gz YBTSAFFMCAUXSA-OUAUKWLOSA-N 2 0 243.351 -0.051 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000638100567 351980941 /nfs/dbraw/zinc/98/09/41/351980941.db2.gz KCTQHQGIBGGLHD-DVVUODLYSA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000638100568 351980706 /nfs/dbraw/zinc/98/07/06/351980706.db2.gz KCTQHQGIBGGLHD-INTQDDNPSA-N 2 0 241.335 -0.299 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000638102364 351981691 /nfs/dbraw/zinc/98/16/91/351981691.db2.gz UEWZZZRRVOVMHD-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000638102366 351981597 /nfs/dbraw/zinc/98/15/97/351981597.db2.gz UEWZZZRRVOVMHD-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000638102368 351981445 /nfs/dbraw/zinc/98/14/45/351981445.db2.gz UEWZZZRRVOVMHD-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000638102369 351981768 /nfs/dbraw/zinc/98/17/68/351981768.db2.gz UEWZZZRRVOVMHD-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@]1(C(=O)NCCc2ncc[nH]2)C[NH2+]CCO1 ZINC000638113963 351990812 /nfs/dbraw/zinc/99/08/12/351990812.db2.gz RSKOLTSLFAQXGA-LLVKDONJSA-N 2 0 238.291 -0.553 20 0 BBADRP C[C@@]1(C(=O)NCCc2ncc[nH]2)C[NH2+]CCO1 ZINC000638113964 351990838 /nfs/dbraw/zinc/99/08/38/351990838.db2.gz RSKOLTSLFAQXGA-NSHDSACASA-N 2 0 238.291 -0.553 20 0 BBADRP COC1CC[NH+](CCNC(=O)C[C@H](C)[NH3+])CC1 ZINC000638125718 351996182 /nfs/dbraw/zinc/99/61/82/351996182.db2.gz LMWMVCLPDLJXQH-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638127378 351998946 /nfs/dbraw/zinc/99/89/46/351998946.db2.gz VNCURYLCLOKYDP-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638127379 351998701 /nfs/dbraw/zinc/99/87/01/351998701.db2.gz VNCURYLCLOKYDP-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638128483 351999960 /nfs/dbraw/zinc/99/99/60/351999960.db2.gz UROSBJOMNYFFFE-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000638137705 352003913 /nfs/dbraw/zinc/00/39/13/352003913.db2.gz ZNKUGDLGDOTXNF-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000638137706 352003519 /nfs/dbraw/zinc/00/35/19/352003519.db2.gz ZNKUGDLGDOTXNF-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000638138866 352004410 /nfs/dbraw/zinc/00/44/10/352004410.db2.gz IDQJNOGGQZZBOL-IQJOONFLSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000638138867 352004305 /nfs/dbraw/zinc/00/43/05/352004305.db2.gz IDQJNOGGQZZBOL-NGZCFLSTSA-N 2 0 227.308 -0.687 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000638140062 352003661 /nfs/dbraw/zinc/00/36/61/352003661.db2.gz TTWFMVQIZXQVPW-GHMZBOCLSA-N 2 0 242.367 -0.654 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000638140066 352003677 /nfs/dbraw/zinc/00/36/77/352003677.db2.gz TTWFMVQIZXQVPW-MNOVXSKESA-N 2 0 242.367 -0.654 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000638140067 352004011 /nfs/dbraw/zinc/00/40/11/352004011.db2.gz TTWFMVQIZXQVPW-QWRGUYRKSA-N 2 0 242.367 -0.654 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000638140068 352003473 /nfs/dbraw/zinc/00/34/73/352003473.db2.gz TTWFMVQIZXQVPW-WDEREUQCSA-N 2 0 242.367 -0.654 20 0 BBADRP COC[C@@]1(C(=O)NC[C@@H](C)C[NH3+])CCCC[NH2+]1 ZINC000638140805 352004356 /nfs/dbraw/zinc/00/43/56/352004356.db2.gz DJSHARVDEQFGDK-CMPLNLGQSA-N 2 0 243.351 -0.144 20 0 BBADRP COC[C@]1(C(=O)NC[C@@H](C)C[NH3+])CCCC[NH2+]1 ZINC000638140806 352004655 /nfs/dbraw/zinc/00/46/55/352004655.db2.gz DJSHARVDEQFGDK-JQWIXIFHSA-N 2 0 243.351 -0.144 20 0 BBADRP COC[C@]1(C(=O)NC[C@H](C)C[NH3+])CCCC[NH2+]1 ZINC000638140807 352004695 /nfs/dbraw/zinc/00/46/95/352004695.db2.gz DJSHARVDEQFGDK-PWSUYJOCSA-N 2 0 243.351 -0.144 20 0 BBADRP COC[C@@]1(C(=O)NC[C@H](C)C[NH3+])CCCC[NH2+]1 ZINC000638140808 352004765 /nfs/dbraw/zinc/00/47/65/352004765.db2.gz DJSHARVDEQFGDK-ZYHUDNBSSA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638142632 352006116 /nfs/dbraw/zinc/00/61/16/352006116.db2.gz SSJAEVJZMJKXFD-PSASIEDQSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638142638 352005995 /nfs/dbraw/zinc/00/59/95/352005995.db2.gz SSJAEVJZMJKXFD-SCZZXKLOSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638142641 352005937 /nfs/dbraw/zinc/00/59/37/352005937.db2.gz SSJAEVJZMJKXFD-WCBMZHEXSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638142643 352006178 /nfs/dbraw/zinc/00/61/78/352006178.db2.gz SSJAEVJZMJKXFD-WPRPVWTQSA-N 2 0 215.297 -0.924 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000638142876 352006479 /nfs/dbraw/zinc/00/64/79/352006479.db2.gz VGQFMBCZFSLTTJ-ATZCPNFKSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000638142877 352006610 /nfs/dbraw/zinc/00/66/10/352006610.db2.gz VGQFMBCZFSLTTJ-QXEWZRGKSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)C[NH3+])C1 ZINC000638142878 352006894 /nfs/dbraw/zinc/00/68/94/352006894.db2.gz VGQFMBCZFSLTTJ-WCABBAIRSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)C[NH3+])C1 ZINC000638142880 352006669 /nfs/dbraw/zinc/00/66/69/352006669.db2.gz VGQFMBCZFSLTTJ-YWVKMMECSA-N 2 0 229.324 -0.536 20 0 BBADRP CCC[NH2+]CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638144404 352007427 /nfs/dbraw/zinc/00/74/27/352007427.db2.gz BZWXSFLBACVPBS-UHFFFAOYSA-N 2 0 237.307 -0.335 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638145493 352007808 /nfs/dbraw/zinc/00/78/08/352007808.db2.gz JRTOCHMJIMSYEI-GFCCVEGCSA-N 2 0 243.351 -0.142 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638145495 352007944 /nfs/dbraw/zinc/00/79/44/352007944.db2.gz JRTOCHMJIMSYEI-LBPRGKRZSA-N 2 0 243.351 -0.142 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000638146391 352010450 /nfs/dbraw/zinc/01/04/50/352010450.db2.gz OEGMJICCDJYXGA-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638146397 352010285 /nfs/dbraw/zinc/01/02/85/352010285.db2.gz TVAPRAKKETVMBG-GXSJLCMTSA-N 2 0 229.324 -0.547 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638146400 352010412 /nfs/dbraw/zinc/01/04/12/352010412.db2.gz TVAPRAKKETVMBG-KOLCDFICSA-N 2 0 229.324 -0.547 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638146403 352010624 /nfs/dbraw/zinc/01/06/24/352010624.db2.gz TVAPRAKKETVMBG-MWLCHTKSSA-N 2 0 229.324 -0.547 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638146405 352010505 /nfs/dbraw/zinc/01/05/05/352010505.db2.gz TVAPRAKKETVMBG-ONGXEEELSA-N 2 0 229.324 -0.547 20 0 BBADRP CCC[NH2+]CCNC(=O)CN1CC[NH2+]CC1 ZINC000638146855 352011530 /nfs/dbraw/zinc/01/15/30/352011530.db2.gz PTXVTCPUDIKEQV-UHFFFAOYSA-N 2 0 228.340 -0.993 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638146944 352011253 /nfs/dbraw/zinc/01/12/53/352011253.db2.gz KTSKBOWGVBJVQM-CMPLNLGQSA-N 2 0 243.351 -0.131 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638146945 352011158 /nfs/dbraw/zinc/01/11/58/352011158.db2.gz KTSKBOWGVBJVQM-JQWIXIFHSA-N 2 0 243.351 -0.131 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638146946 352011550 /nfs/dbraw/zinc/01/15/50/352011550.db2.gz KTSKBOWGVBJVQM-PWSUYJOCSA-N 2 0 243.351 -0.131 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638146947 352011511 /nfs/dbraw/zinc/01/15/11/352011511.db2.gz KTSKBOWGVBJVQM-ZYHUDNBSSA-N 2 0 243.351 -0.131 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638148183 352009688 /nfs/dbraw/zinc/00/96/88/352009688.db2.gz LOWYVYYBOWALMC-CKYFFXLPSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638148184 352009560 /nfs/dbraw/zinc/00/95/60/352009560.db2.gz LOWYVYYBOWALMC-FOGDFJRCSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638148185 352009670 /nfs/dbraw/zinc/00/96/70/352009670.db2.gz LOWYVYYBOWALMC-JFGNBEQYSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638148186 352009813 /nfs/dbraw/zinc/00/98/13/352009813.db2.gz LOWYVYYBOWALMC-SCVCMEIPSA-N 2 0 241.335 -0.439 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638148258 352009550 /nfs/dbraw/zinc/00/95/50/352009550.db2.gz WPCLLSJPZVQZAC-LLVKDONJSA-N 2 0 229.324 -0.519 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638148259 352009531 /nfs/dbraw/zinc/00/95/31/352009531.db2.gz WPCLLSJPZVQZAC-NSHDSACASA-N 2 0 229.324 -0.519 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638148684 352010635 /nfs/dbraw/zinc/01/06/35/352010635.db2.gz ZMMHOFOVXXUDCO-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP CN1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638148918 352010207 /nfs/dbraw/zinc/01/02/07/352010207.db2.gz BJDPQNMZBUQREU-GFCCVEGCSA-N 2 0 241.335 -0.484 20 0 BBADRP CN1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638148924 352010754 /nfs/dbraw/zinc/01/07/54/352010754.db2.gz BJDPQNMZBUQREU-LBPRGKRZSA-N 2 0 241.335 -0.484 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000638150179 352011392 /nfs/dbraw/zinc/01/13/92/352011392.db2.gz XUDYROZLUWHDTE-HOSYDEDBSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000638150180 352011243 /nfs/dbraw/zinc/01/12/43/352011243.db2.gz XUDYROZLUWHDTE-UMNHJUIQSA-N 2 0 241.335 -0.378 20 0 BBADRP COCC[NH2+]CCNC(=O)Cc1[nH]cnc1C ZINC000638151468 352012180 /nfs/dbraw/zinc/01/21/80/352012180.db2.gz CUAFDPKHOHQMHK-UHFFFAOYSA-N 2 0 240.307 -0.387 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H](C)[NH+](C)C ZINC000638151936 352013056 /nfs/dbraw/zinc/01/30/56/352013056.db2.gz GZFGQBVWQWDFCL-SECBINFHSA-N 2 0 217.313 -0.711 20 0 BBADRP COCC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638152595 352016675 /nfs/dbraw/zinc/01/66/75/352016675.db2.gz MPZATBGZACSVFU-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP COCC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638152596 352016851 /nfs/dbraw/zinc/01/68/51/352016851.db2.gz MPZATBGZACSVFU-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP [NH3+][C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638152688 352017047 /nfs/dbraw/zinc/01/70/47/352017047.db2.gz LMRFCTVHWIVGHZ-NXEZZACHSA-N 2 0 209.293 -0.113 20 0 BBADRP [NH3+][C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638152690 352017017 /nfs/dbraw/zinc/01/70/17/352017017.db2.gz LMRFCTVHWIVGHZ-UWVGGRQHSA-N 2 0 209.293 -0.113 20 0 BBADRP [NH3+][C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638152691 352017033 /nfs/dbraw/zinc/01/70/33/352017033.db2.gz LMRFCTVHWIVGHZ-VHSXEESVSA-N 2 0 209.293 -0.113 20 0 BBADRP [NH3+][C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638152703 352017062 /nfs/dbraw/zinc/01/70/62/352017062.db2.gz LMRFCTVHWIVGHZ-ZJUUUORDSA-N 2 0 209.293 -0.113 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000638152891 352016879 /nfs/dbraw/zinc/01/68/79/352016879.db2.gz GYGHKTLRODQNAO-HOSYDEDBSA-N 2 0 241.335 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000638152892 352016726 /nfs/dbraw/zinc/01/67/26/352016726.db2.gz GYGHKTLRODQNAO-JBLDHEPKSA-N 2 0 241.335 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000638152894 352016530 /nfs/dbraw/zinc/01/65/30/352016530.db2.gz GYGHKTLRODQNAO-NHCYSSNCSA-N 2 0 241.335 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000638152897 352016842 /nfs/dbraw/zinc/01/68/42/352016842.db2.gz GYGHKTLRODQNAO-UMNHJUIQSA-N 2 0 241.335 -0.393 20 0 BBADRP C[NH+](C)CC1(C(=O)NCC2C[NH2+]C2)CC1 ZINC000638153946 352014510 /nfs/dbraw/zinc/01/45/10/352014510.db2.gz PUFYKCLZMKAEBN-UHFFFAOYSA-N 2 0 211.309 -0.336 20 0 BBADRP [NH3+]C[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCCOC1 ZINC000638154165 352014508 /nfs/dbraw/zinc/01/45/08/352014508.db2.gz MUTINTXRFMEYGS-CMPLNLGQSA-N 2 0 241.335 -0.405 20 0 BBADRP [NH3+]C[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCCOC1 ZINC000638154168 352014438 /nfs/dbraw/zinc/01/44/38/352014438.db2.gz MUTINTXRFMEYGS-JQWIXIFHSA-N 2 0 241.335 -0.405 20 0 BBADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCOC1 ZINC000638154171 352014266 /nfs/dbraw/zinc/01/42/66/352014266.db2.gz MUTINTXRFMEYGS-PWSUYJOCSA-N 2 0 241.335 -0.405 20 0 BBADRP [NH3+]C[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCOC1 ZINC000638154173 352014363 /nfs/dbraw/zinc/01/43/63/352014363.db2.gz MUTINTXRFMEYGS-ZYHUDNBSSA-N 2 0 241.335 -0.405 20 0 BBADRP COC[C@@]1(C(=O)NCC2C[NH2+]C2)CCCC[NH2+]1 ZINC000638154204 352014417 /nfs/dbraw/zinc/01/44/17/352014417.db2.gz RZUXNPCGWNEDSC-GFCCVEGCSA-N 2 0 241.335 -0.519 20 0 BBADRP COCC[NH2+]CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638154418 352014609 /nfs/dbraw/zinc/01/46/09/352014609.db2.gz OSPOFZKJEMVTBI-JTQLQIEISA-N 2 0 227.308 -0.614 20 0 BBADRP COCC[NH2+]CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638154428 352014232 /nfs/dbraw/zinc/01/42/32/352014232.db2.gz OSPOFZKJEMVTBI-SNVBAGLBSA-N 2 0 227.308 -0.614 20 0 BBADRP COC[C@]1(C(=O)NCC2C[NH2+]C2)CCCC[NH2+]1 ZINC000638154489 352014389 /nfs/dbraw/zinc/01/43/89/352014389.db2.gz RZUXNPCGWNEDSC-LBPRGKRZSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+][C@@H](CNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638154812 352015335 /nfs/dbraw/zinc/01/53/35/352015335.db2.gz RGQORGNIRZASRX-JTQLQIEISA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H](CNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638154817 352015415 /nfs/dbraw/zinc/01/54/15/352015415.db2.gz RGQORGNIRZASRX-SNVBAGLBSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638154849 352016063 /nfs/dbraw/zinc/01/60/63/352016063.db2.gz IGJHHIPMVROSFI-GXSJLCMTSA-N 2 0 229.324 -0.405 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638154850 352016110 /nfs/dbraw/zinc/01/61/10/352016110.db2.gz IGJHHIPMVROSFI-KOLCDFICSA-N 2 0 229.324 -0.405 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638154851 352015825 /nfs/dbraw/zinc/01/58/25/352015825.db2.gz IGJHHIPMVROSFI-MWLCHTKSSA-N 2 0 229.324 -0.405 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638154852 352015988 /nfs/dbraw/zinc/01/59/88/352015988.db2.gz IGJHHIPMVROSFI-ONGXEEELSA-N 2 0 229.324 -0.405 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638155664 352018224 /nfs/dbraw/zinc/01/82/24/352018224.db2.gz FMLHOKFWFPEAGT-HOSYDEDBSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638155665 352018172 /nfs/dbraw/zinc/01/81/72/352018172.db2.gz FMLHOKFWFPEAGT-JBLDHEPKSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638155666 352018482 /nfs/dbraw/zinc/01/84/82/352018482.db2.gz FMLHOKFWFPEAGT-NHCYSSNCSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638155667 352018573 /nfs/dbraw/zinc/01/85/73/352018573.db2.gz FMLHOKFWFPEAGT-UMNHJUIQSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)C[NH2+]CCO1 ZINC000638156182 352019230 /nfs/dbraw/zinc/01/92/30/352019230.db2.gz WWEPAZNCNBCWQH-GXSJLCMTSA-N 2 0 227.308 -0.782 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)C[NH2+]CCO1 ZINC000638156183 352019283 /nfs/dbraw/zinc/01/92/83/352019283.db2.gz WWEPAZNCNBCWQH-KOLCDFICSA-N 2 0 227.308 -0.782 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)C[NH2+]CCO1 ZINC000638156184 352019016 /nfs/dbraw/zinc/01/90/16/352019016.db2.gz WWEPAZNCNBCWQH-MWLCHTKSSA-N 2 0 227.308 -0.782 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)C[NH2+]CCO1 ZINC000638156185 352019022 /nfs/dbraw/zinc/01/90/22/352019022.db2.gz WWEPAZNCNBCWQH-ONGXEEELSA-N 2 0 227.308 -0.782 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCC[NH2+]CCOC ZINC000638156295 352019690 /nfs/dbraw/zinc/01/96/90/352019690.db2.gz YAROLOHYKPYRHB-SECBINFHSA-N 2 0 217.313 -0.663 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCC[NH2+]CCOC ZINC000638156296 352019920 /nfs/dbraw/zinc/01/99/20/352019920.db2.gz YAROLOHYKPYRHB-VIFPVBQESA-N 2 0 217.313 -0.663 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000638156947 352020749 /nfs/dbraw/zinc/02/07/49/352020749.db2.gz SSUVEOCVMSHOEL-ATZCPNFKSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000638156949 352020856 /nfs/dbraw/zinc/02/08/56/352020856.db2.gz SSUVEOCVMSHOEL-QXEWZRGKSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)CC[NH3+])C1 ZINC000638156952 352020739 /nfs/dbraw/zinc/02/07/39/352020739.db2.gz SSUVEOCVMSHOEL-WCABBAIRSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)CC[NH3+])C1 ZINC000638156954 352020455 /nfs/dbraw/zinc/02/04/55/352020455.db2.gz SSUVEOCVMSHOEL-YWVKMMECSA-N 2 0 229.324 -0.393 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H](C)CC[NH3+])CCCC[NH2+]1 ZINC000638157941 352025683 /nfs/dbraw/zinc/02/56/83/352025683.db2.gz XTXQSZOGQVTTSQ-CMPLNLGQSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)CC[NH3+])CCCC[NH2+]1 ZINC000638157942 352025416 /nfs/dbraw/zinc/02/54/16/352025416.db2.gz XTXQSZOGQVTTSQ-JQWIXIFHSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)CC[NH3+])CCCC[NH2+]1 ZINC000638157943 352025733 /nfs/dbraw/zinc/02/57/33/352025733.db2.gz XTXQSZOGQVTTSQ-PWSUYJOCSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@@]1(C(=O)N[C@H](C)CC[NH3+])CCCC[NH2+]1 ZINC000638157944 352025689 /nfs/dbraw/zinc/02/56/89/352025689.db2.gz XTXQSZOGQVTTSQ-ZYHUDNBSSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638158237 352022183 /nfs/dbraw/zinc/02/21/83/352022183.db2.gz YXMXRXHRCQAAOX-PSASIEDQSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638158239 352022102 /nfs/dbraw/zinc/02/21/02/352022102.db2.gz YXMXRXHRCQAAOX-SCZZXKLOSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638158240 352022363 /nfs/dbraw/zinc/02/23/63/352022363.db2.gz YXMXRXHRCQAAOX-WCBMZHEXSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638158241 352022064 /nfs/dbraw/zinc/02/20/64/352022064.db2.gz YXMXRXHRCQAAOX-WPRPVWTQSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000638159627 352024140 /nfs/dbraw/zinc/02/41/40/352024140.db2.gz ROFRYHHVNTXKOM-GHMZBOCLSA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000638159628 352024095 /nfs/dbraw/zinc/02/40/95/352024095.db2.gz ROFRYHHVNTXKOM-MNOVXSKESA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000638159629 352023760 /nfs/dbraw/zinc/02/37/60/352023760.db2.gz ROFRYHHVNTXKOM-QWRGUYRKSA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CN1CC[NH2+]CC1 ZINC000638159630 352023822 /nfs/dbraw/zinc/02/38/22/352023822.db2.gz ROFRYHHVNTXKOM-WDEREUQCSA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@@]1(C(=O)NCC2([NH3+])CCC2)C[NH2+]CCO1 ZINC000638161493 352028844 /nfs/dbraw/zinc/02/88/44/352028844.db2.gz CTBFVEGWJIVPQK-JTQLQIEISA-N 2 0 227.308 -0.638 20 0 BBADRP C[C@]1(C(=O)NCC2([NH3+])CCC2)C[NH2+]CCO1 ZINC000638161494 352028890 /nfs/dbraw/zinc/02/88/90/352028890.db2.gz CTBFVEGWJIVPQK-SNVBAGLBSA-N 2 0 227.308 -0.638 20 0 BBADRP CC1(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[NH2+]CC1 ZINC000638161615 352028827 /nfs/dbraw/zinc/02/88/27/352028827.db2.gz GJFOWRFVDHMSBS-VHSXEESVSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@]1(C(=O)NCC2([NH3+])CCC2)CCCOC1 ZINC000638161632 352025825 /nfs/dbraw/zinc/02/58/25/352025825.db2.gz GVPOPBZHZMPQAX-LLVKDONJSA-N 2 0 241.335 -0.261 20 0 BBADRP [NH3+]C[C@@]1(C(=O)NCC2([NH3+])CCC2)CCCOC1 ZINC000638161633 352025725 /nfs/dbraw/zinc/02/57/25/352025725.db2.gz GVPOPBZHZMPQAX-NSHDSACASA-N 2 0 241.335 -0.261 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2([NH3+])CCC2)C1 ZINC000638161957 352026434 /nfs/dbraw/zinc/02/64/34/352026434.db2.gz XTPAHJYQQKJMGJ-GXSJLCMTSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2([NH3+])CCC2)C1 ZINC000638161958 352026378 /nfs/dbraw/zinc/02/63/78/352026378.db2.gz XTPAHJYQQKJMGJ-KOLCDFICSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2([NH3+])CCC2)C1 ZINC000638161959 352026578 /nfs/dbraw/zinc/02/65/78/352026578.db2.gz XTPAHJYQQKJMGJ-MWLCHTKSSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2([NH3+])CCC2)C1 ZINC000638161960 352026642 /nfs/dbraw/zinc/02/66/42/352026642.db2.gz XTPAHJYQQKJMGJ-ONGXEEELSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000638162261 352026396 /nfs/dbraw/zinc/02/63/96/352026396.db2.gz ODNFZPVHXUXTAG-SFYZADRCSA-N 2 0 213.281 -0.900 20 0 BBADRP [NH3+]C1(CNC(=O)CCC2C[NH2+]C2)CCC1 ZINC000638162295 352026471 /nfs/dbraw/zinc/02/64/71/352026471.db2.gz PALSMSHRSBHWGK-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000638167968 352036420 /nfs/dbraw/zinc/03/64/20/352036420.db2.gz ACYYYTPORKADAV-WDEREUQCSA-N 2 0 241.335 -0.345 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638168092 352036025 /nfs/dbraw/zinc/03/60/25/352036025.db2.gz CCMOEBRRBGVHIK-GFCCVEGCSA-N 2 0 241.335 -0.471 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638168093 352036161 /nfs/dbraw/zinc/03/61/61/352036161.db2.gz CCMOEBRRBGVHIK-LBPRGKRZSA-N 2 0 241.335 -0.471 20 0 BBADRP C[C@H](C[NH3+])NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638168952 352032905 /nfs/dbraw/zinc/03/29/05/352032905.db2.gz AWVFHTOEPQCUNW-SECBINFHSA-N 2 0 239.323 -0.478 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)C[NH3+])C1 ZINC000638168974 352033170 /nfs/dbraw/zinc/03/31/70/352033170.db2.gz BJVLRFOMJWXBHW-KHQFGBGNSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C[NH3+])C1 ZINC000638168975 352032850 /nfs/dbraw/zinc/03/28/50/352032850.db2.gz BJVLRFOMJWXBHW-MRTMQBJTSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)C[NH3+])C1 ZINC000638168976 352032860 /nfs/dbraw/zinc/03/28/60/352032860.db2.gz BJVLRFOMJWXBHW-NQMVMOMDSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C[NH3+])C1 ZINC000638168977 352033057 /nfs/dbraw/zinc/03/30/57/352033057.db2.gz BJVLRFOMJWXBHW-WEDXCCLWSA-N 2 0 215.297 -0.783 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000638169429 352033864 /nfs/dbraw/zinc/03/38/64/352033864.db2.gz AIDSHTCXFZGCQH-NXEZZACHSA-N 2 0 225.292 -0.780 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000638169431 352033970 /nfs/dbraw/zinc/03/39/70/352033970.db2.gz AIDSHTCXFZGCQH-UWVGGRQHSA-N 2 0 225.292 -0.780 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000638169433 352034017 /nfs/dbraw/zinc/03/40/17/352034017.db2.gz AIDSHTCXFZGCQH-VHSXEESVSA-N 2 0 225.292 -0.780 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000638169435 352033637 /nfs/dbraw/zinc/03/36/37/352033637.db2.gz AIDSHTCXFZGCQH-ZJUUUORDSA-N 2 0 225.292 -0.780 20 0 BBADRP C[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000638169552 352033580 /nfs/dbraw/zinc/03/35/80/352033580.db2.gz BFFIUXPSTDAGGG-BDAKNGLRSA-N 2 0 215.297 -0.877 20 0 BBADRP C[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000638169561 352033809 /nfs/dbraw/zinc/03/38/09/352033809.db2.gz BFFIUXPSTDAGGG-RKDXNWHRSA-N 2 0 215.297 -0.877 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638170336 352034477 /nfs/dbraw/zinc/03/44/77/352034477.db2.gz NQUJIZIWCWCTKI-VHSXEESVSA-N 2 0 227.308 -0.733 20 0 BBADRP C[C@H](C[NH3+])NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000638171902 352038761 /nfs/dbraw/zinc/03/87/61/352038761.db2.gz MOWUHQHVQAOTAY-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638172328 352039710 /nfs/dbraw/zinc/03/97/10/352039710.db2.gz VOHYFNMQXCHQOH-PSASIEDQSA-N 2 0 215.297 -0.795 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638172339 352039615 /nfs/dbraw/zinc/03/96/15/352039615.db2.gz VOHYFNMQXCHQOH-SCZZXKLOSA-N 2 0 215.297 -0.795 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)C[NH3+])CCCC[NH2+]1 ZINC000638172454 352039702 /nfs/dbraw/zinc/03/97/02/352039702.db2.gz XSYQWISKFMCINO-KOLCDFICSA-N 2 0 229.324 -0.392 20 0 BBADRP COC[C@@]1(C(=O)N[C@H](C)C[NH3+])CCCC[NH2+]1 ZINC000638172456 352040019 /nfs/dbraw/zinc/04/00/19/352040019.db2.gz XSYQWISKFMCINO-MWLCHTKSSA-N 2 0 229.324 -0.392 20 0 BBADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000638172945 352040480 /nfs/dbraw/zinc/04/04/80/352040480.db2.gz BVTIBSCQOOROLI-JTQLQIEISA-N 2 0 241.335 -0.486 20 0 BBADRP C[NH+](C)CC1(C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000638172946 352040735 /nfs/dbraw/zinc/04/07/35/352040735.db2.gz BVTIBSCQOOROLI-SNVBAGLBSA-N 2 0 241.335 -0.486 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638173161 352036806 /nfs/dbraw/zinc/03/68/06/352036806.db2.gz USMKHEZFWUDLAX-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638173162 352037028 /nfs/dbraw/zinc/03/70/28/352037028.db2.gz USMKHEZFWUDLAX-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638173163 352037080 /nfs/dbraw/zinc/03/70/80/352037080.db2.gz USMKHEZFWUDLAX-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638173164 352036743 /nfs/dbraw/zinc/03/67/43/352036743.db2.gz USMKHEZFWUDLAX-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638173269 352037319 /nfs/dbraw/zinc/03/73/19/352037319.db2.gz VAFVCHKCUBIKBL-GHMZBOCLSA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638173270 352037048 /nfs/dbraw/zinc/03/70/48/352037048.db2.gz VAFVCHKCUBIKBL-MNOVXSKESA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638173271 352036810 /nfs/dbraw/zinc/03/68/10/352036810.db2.gz VAFVCHKCUBIKBL-QWRGUYRKSA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638173272 352037342 /nfs/dbraw/zinc/03/73/42/352037342.db2.gz VAFVCHKCUBIKBL-WDEREUQCSA-N 2 0 243.351 -0.064 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000638173343 352036776 /nfs/dbraw/zinc/03/67/76/352036776.db2.gz WLIJOPFWMSLAQW-GHMZBOCLSA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000638173344 352037149 /nfs/dbraw/zinc/03/71/49/352037149.db2.gz WLIJOPFWMSLAQW-MNOVXSKESA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000638173345 352036795 /nfs/dbraw/zinc/03/67/95/352036795.db2.gz WLIJOPFWMSLAQW-QWRGUYRKSA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000638173346 352037230 /nfs/dbraw/zinc/03/72/30/352037230.db2.gz WLIJOPFWMSLAQW-WDEREUQCSA-N 2 0 241.335 -0.486 20 0 BBADRP [NH3+]Cc1ccc(NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638173626 352037032 /nfs/dbraw/zinc/03/70/32/352037032.db2.gz AZXFFJCSAQOEID-UHFFFAOYSA-N 2 0 248.330 -0.011 20 0 BBADRP C[C@]1(C(=O)NCC2=CC[NH2+]CC2)C[NH2+]CCO1 ZINC000638175683 352041307 /nfs/dbraw/zinc/04/13/07/352041307.db2.gz JLIDUVAWDQVJJV-GFCCVEGCSA-N 2 0 239.319 -0.599 20 0 BBADRP C[C@@]1(C(=O)NCC2=CC[NH2+]CC2)C[NH2+]CCO1 ZINC000638175684 352041266 /nfs/dbraw/zinc/04/12/66/352041266.db2.gz JLIDUVAWDQVJJV-LBPRGKRZSA-N 2 0 239.319 -0.599 20 0 BBADRP C[C@H](C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000638175812 352041594 /nfs/dbraw/zinc/04/15/94/352041594.db2.gz NLNZSOMOFIJKSE-SECBINFHSA-N 2 0 211.309 -0.028 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638177056 352043041 /nfs/dbraw/zinc/04/30/41/352043041.db2.gz HLKWGZLIRHYNCD-PSASIEDQSA-N 2 0 249.318 -0.337 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638177060 352042805 /nfs/dbraw/zinc/04/28/05/352042805.db2.gz HLKWGZLIRHYNCD-SCZZXKLOSA-N 2 0 249.318 -0.337 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638177061 352042812 /nfs/dbraw/zinc/04/28/12/352042812.db2.gz HLKWGZLIRHYNCD-WCBMZHEXSA-N 2 0 249.318 -0.337 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638177063 352043058 /nfs/dbraw/zinc/04/30/58/352043058.db2.gz HLKWGZLIRHYNCD-WPRPVWTQSA-N 2 0 249.318 -0.337 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638177064 352043238 /nfs/dbraw/zinc/04/32/38/352043238.db2.gz HLQXZZCIMNXKEF-AATLWQCWSA-N 2 0 227.308 -0.783 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638177065 352043289 /nfs/dbraw/zinc/04/32/89/352043289.db2.gz HLQXZZCIMNXKEF-AXTSPUMRSA-N 2 0 227.308 -0.783 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638177066 352042883 /nfs/dbraw/zinc/04/28/83/352042883.db2.gz HLQXZZCIMNXKEF-UTINFBMNSA-N 2 0 227.308 -0.783 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638177067 352043016 /nfs/dbraw/zinc/04/30/16/352043016.db2.gz HLQXZZCIMNXKEF-XFWSIPNHSA-N 2 0 227.308 -0.783 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638177098 352042795 /nfs/dbraw/zinc/04/27/95/352042795.db2.gz HXATVWZROFTEJZ-CKYFFXLPSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638177099 352043302 /nfs/dbraw/zinc/04/33/02/352043302.db2.gz HXATVWZROFTEJZ-FOGDFJRCSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638177100 352042932 /nfs/dbraw/zinc/04/29/32/352042932.db2.gz HXATVWZROFTEJZ-JFGNBEQYSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638177101 352043102 /nfs/dbraw/zinc/04/31/02/352043102.db2.gz HXATVWZROFTEJZ-SCVCMEIPSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638177410 352044762 /nfs/dbraw/zinc/04/47/62/352044762.db2.gz JGPVOYWEBZEMLX-GHMZBOCLSA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638177412 352045371 /nfs/dbraw/zinc/04/53/71/352045371.db2.gz JGPVOYWEBZEMLX-MNOVXSKESA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638177414 352044781 /nfs/dbraw/zinc/04/47/81/352044781.db2.gz JGPVOYWEBZEMLX-QWRGUYRKSA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638177416 352044823 /nfs/dbraw/zinc/04/48/23/352044823.db2.gz JGPVOYWEBZEMLX-WDEREUQCSA-N 2 0 240.351 -0.994 20 0 BBADRP CO[C@@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000638185852 352051002 /nfs/dbraw/zinc/05/10/02/352051002.db2.gz DCKVMEHCOUUJQB-GRYCIOLGSA-N 2 0 226.320 -0.057 20 0 BBADRP CO[C@]1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000638185853 352050894 /nfs/dbraw/zinc/05/08/94/352050894.db2.gz DCKVMEHCOUUJQB-SRVKXCTJSA-N 2 0 226.320 -0.057 20 0 BBADRP CO[C@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000638185854 352051051 /nfs/dbraw/zinc/05/10/51/352051051.db2.gz DCKVMEHCOUUJQB-TUAOUCFPSA-N 2 0 226.320 -0.057 20 0 BBADRP CO[C@]1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCOC1 ZINC000638185855 352051174 /nfs/dbraw/zinc/05/11/74/352051174.db2.gz DCKVMEHCOUUJQB-UTUOFQBUSA-N 2 0 226.320 -0.057 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000638194767 352057431 /nfs/dbraw/zinc/05/74/31/352057431.db2.gz GAYDWZMGPOXBIW-CMPLNLGQSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000638194768 352057108 /nfs/dbraw/zinc/05/71/08/352057108.db2.gz GAYDWZMGPOXBIW-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000638194769 352057327 /nfs/dbraw/zinc/05/73/27/352057327.db2.gz GAYDWZMGPOXBIW-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000638194770 352057185 /nfs/dbraw/zinc/05/71/85/352057185.db2.gz GAYDWZMGPOXBIW-ZYHUDNBSSA-N 2 0 241.335 -0.377 20 0 BBADRP CC1([NH3+])CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638195069 352057408 /nfs/dbraw/zinc/05/74/08/352057408.db2.gz CGERDDSCBVYAEV-GFCCVEGCSA-N 2 0 241.335 -0.295 20 0 BBADRP CC1([NH3+])CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638195070 352057287 /nfs/dbraw/zinc/05/72/87/352057287.db2.gz CGERDDSCBVYAEV-LBPRGKRZSA-N 2 0 241.335 -0.295 20 0 BBADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000638195922 352060430 /nfs/dbraw/zinc/06/04/30/352060430.db2.gz SDCYJPRBGFQNMM-LLVKDONJSA-N 2 0 240.351 -0.850 20 0 BBADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CCC[NH2+]CC1 ZINC000638195923 352060456 /nfs/dbraw/zinc/06/04/56/352060456.db2.gz SDCYJPRBGFQNMM-NSHDSACASA-N 2 0 240.351 -0.850 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000638196296 352060220 /nfs/dbraw/zinc/06/02/20/352060220.db2.gz XUDYROZLUWHDTE-CKYFFXLPSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000638196297 352060417 /nfs/dbraw/zinc/06/04/17/352060417.db2.gz XUDYROZLUWHDTE-FOGDFJRCSA-N 2 0 241.335 -0.378 20 0 BBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000638197370 352059298 /nfs/dbraw/zinc/05/92/98/352059298.db2.gz YYVKGWBOFXIDND-HBNTYKKESA-N 2 0 241.335 -0.441 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638197606 352059668 /nfs/dbraw/zinc/05/96/68/352059668.db2.gz MSQSNSZYRZEPKR-YTWAJWBKSA-N 2 0 239.319 -0.545 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000638197608 352059644 /nfs/dbraw/zinc/05/96/44/352059644.db2.gz KNJYFWROOWICEM-HOSYDEDBSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000638197609 352059488 /nfs/dbraw/zinc/05/94/88/352059488.db2.gz KNJYFWROOWICEM-UMNHJUIQSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000638197735 352059429 /nfs/dbraw/zinc/05/94/29/352059429.db2.gz XPLXGTXERNYPLG-CKYFFXLPSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000638197736 352059363 /nfs/dbraw/zinc/05/93/63/352059363.db2.gz XPLXGTXERNYPLG-FOGDFJRCSA-N 2 0 241.335 -0.297 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638198632 352061683 /nfs/dbraw/zinc/06/16/83/352061683.db2.gz DHEOKEXZBWBMOK-JLIMGVALSA-N 2 0 227.308 -0.511 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638198635 352061649 /nfs/dbraw/zinc/06/16/49/352061649.db2.gz DHEOKEXZBWBMOK-KYXWUPHJSA-N 2 0 227.308 -0.511 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638198636 352061617 /nfs/dbraw/zinc/06/16/17/352061617.db2.gz DHEOKEXZBWBMOK-QEYWKRMJSA-N 2 0 227.308 -0.511 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638198637 352061911 /nfs/dbraw/zinc/06/19/11/352061911.db2.gz DHEOKEXZBWBMOK-RGOKHQFPSA-N 2 0 227.308 -0.511 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638199714 352063204 /nfs/dbraw/zinc/06/32/04/352063204.db2.gz LDZYIZQFGYMHJE-GHMZBOCLSA-N 2 0 240.351 -0.722 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638199720 352063580 /nfs/dbraw/zinc/06/35/80/352063580.db2.gz LDZYIZQFGYMHJE-MNOVXSKESA-N 2 0 240.351 -0.722 20 0 BBADRP [NH3+][C@H]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638199721 352063336 /nfs/dbraw/zinc/06/33/36/352063336.db2.gz LDZYIZQFGYMHJE-QWRGUYRKSA-N 2 0 240.351 -0.722 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638199722 352063346 /nfs/dbraw/zinc/06/33/46/352063346.db2.gz LDZYIZQFGYMHJE-WDEREUQCSA-N 2 0 240.351 -0.722 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638199903 352063483 /nfs/dbraw/zinc/06/34/83/352063483.db2.gz GIGIAMBFLUAQMI-DBIOUOCHSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638199904 352063449 /nfs/dbraw/zinc/06/34/49/352063449.db2.gz GIGIAMBFLUAQMI-VLEAKVRGSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638199905 352063519 /nfs/dbraw/zinc/06/35/19/352063519.db2.gz GIGIAMBFLUAQMI-ZDCRXTMVSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638199906 352063496 /nfs/dbraw/zinc/06/34/96/352063496.db2.gz GIGIAMBFLUAQMI-ZNSHCXBVSA-N 2 0 239.319 -0.687 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000638200936 352060860 /nfs/dbraw/zinc/06/08/60/352060860.db2.gz TXTBWVCOGWPWCA-CKYFFXLPSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000638200938 352061276 /nfs/dbraw/zinc/06/12/76/352061276.db2.gz TXTBWVCOGWPWCA-HOSYDEDBSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000638200940 352060785 /nfs/dbraw/zinc/06/07/85/352060785.db2.gz TXTBWVCOGWPWCA-JBLDHEPKSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000638200941 352061170 /nfs/dbraw/zinc/06/11/70/352061170.db2.gz TXTBWVCOGWPWCA-JFGNBEQYSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638202803 352064009 /nfs/dbraw/zinc/06/40/09/352064009.db2.gz KBVDCLHBQKISEQ-CKYFFXLPSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638202804 352064342 /nfs/dbraw/zinc/06/43/42/352064342.db2.gz KBVDCLHBQKISEQ-FOGDFJRCSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638202805 352063927 /nfs/dbraw/zinc/06/39/27/352063927.db2.gz KBVDCLHBQKISEQ-JFGNBEQYSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638202806 352063985 /nfs/dbraw/zinc/06/39/85/352063985.db2.gz KBVDCLHBQKISEQ-SCVCMEIPSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638204225 352065942 /nfs/dbraw/zinc/06/59/42/352065942.db2.gz CJOZSEJGVJQMLZ-WPRPVWTQSA-N 2 0 249.318 -0.194 20 0 BBADRP CC1(NC(=O)CN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000638205551 352067390 /nfs/dbraw/zinc/06/73/90/352067390.db2.gz GRYDGEMTTXWTGU-UHFFFAOYSA-N 2 0 240.351 -0.850 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)CN2CC[NH2+]CC2)[C@@H]1C ZINC000638205675 352068305 /nfs/dbraw/zinc/06/83/05/352068305.db2.gz QMZIRQNQQJZWQR-GHMZBOCLSA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)CN2CC[NH2+]CC2)[C@H]1C ZINC000638205676 352068247 /nfs/dbraw/zinc/06/82/47/352068247.db2.gz QMZIRQNQQJZWQR-MNOVXSKESA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)CN2CC[NH2+]CC2)[C@H]1C ZINC000638205677 352068591 /nfs/dbraw/zinc/06/85/91/352068591.db2.gz QMZIRQNQQJZWQR-QWRGUYRKSA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638205678 352068356 /nfs/dbraw/zinc/06/83/56/352068356.db2.gz QMZIRQNQQJZWQR-WDEREUQCSA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638206040 352068457 /nfs/dbraw/zinc/06/84/57/352068457.db2.gz KURYVWSEMPXJRB-AATLWQCWSA-N 2 0 227.308 -0.641 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638206220 352068273 /nfs/dbraw/zinc/06/82/73/352068273.db2.gz XQTCBTPMWHJHCP-GHMZBOCLSA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638206223 352068281 /nfs/dbraw/zinc/06/82/81/352068281.db2.gz XQTCBTPMWHJHCP-MNOVXSKESA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638206225 352068373 /nfs/dbraw/zinc/06/83/73/352068373.db2.gz XQTCBTPMWHJHCP-QWRGUYRKSA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638206227 352068163 /nfs/dbraw/zinc/06/81/63/352068163.db2.gz XQTCBTPMWHJHCP-WDEREUQCSA-N 2 0 240.351 -0.994 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638207643 352069795 /nfs/dbraw/zinc/06/97/95/352069795.db2.gz QKKYVQUCUVGJHW-QWRGUYRKSA-N 2 0 240.351 -0.852 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638208280 352070547 /nfs/dbraw/zinc/07/05/47/352070547.db2.gz SOCVJUYDUJTUIL-JBLDHEPKSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638208281 352070598 /nfs/dbraw/zinc/07/05/98/352070598.db2.gz SOCVJUYDUJTUIL-NHCYSSNCSA-N 2 0 241.335 -0.378 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000638209133 352071499 /nfs/dbraw/zinc/07/14/99/352071499.db2.gz WNDLDSAVLDEKNO-CHWFTXMASA-N 2 0 241.335 -0.312 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000638209136 352071239 /nfs/dbraw/zinc/07/12/39/352071239.db2.gz WNDLDSAVLDEKNO-VPOLOUISSA-N 2 0 241.335 -0.312 20 0 BBADRP CC[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000638209139 352071189 /nfs/dbraw/zinc/07/11/89/352071189.db2.gz WNDLDSAVLDEKNO-XWLWVQCSSA-N 2 0 241.335 -0.312 20 0 BBADRP CC[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000638209141 352071290 /nfs/dbraw/zinc/07/12/90/352071290.db2.gz WNDLDSAVLDEKNO-ZRUFSTJUSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638209531 352072242 /nfs/dbraw/zinc/07/22/42/352072242.db2.gz BBZOEFYCUIAXCS-SECBINFHSA-N 2 0 239.323 -0.478 20 0 BBADRP C[C@H]([NH3+])CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638209536 352072179 /nfs/dbraw/zinc/07/21/79/352072179.db2.gz BBZOEFYCUIAXCS-VIFPVBQESA-N 2 0 239.323 -0.478 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C)[NH3+])C1 ZINC000638209588 352072464 /nfs/dbraw/zinc/07/24/64/352072464.db2.gz BFEZKBDXPMYSQI-KHQFGBGNSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)[NH3+])C1 ZINC000638209591 352072439 /nfs/dbraw/zinc/07/24/39/352072439.db2.gz BFEZKBDXPMYSQI-NRPADANISA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)[NH3+])C1 ZINC000638209593 352072403 /nfs/dbraw/zinc/07/24/03/352072403.db2.gz BFEZKBDXPMYSQI-OYNCUSHFSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)[NH3+])C1 ZINC000638209595 352072345 /nfs/dbraw/zinc/07/23/45/352072345.db2.gz BFEZKBDXPMYSQI-WEDXCCLWSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CC[NH2+]1 ZINC000638210015 352072610 /nfs/dbraw/zinc/07/26/10/352072610.db2.gz GNWFIJQGRIAKGD-GHMZBOCLSA-N 2 0 240.351 -0.852 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[NH2+]1 ZINC000638210018 352072850 /nfs/dbraw/zinc/07/28/50/352072850.db2.gz GNWFIJQGRIAKGD-MNOVXSKESA-N 2 0 240.351 -0.852 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[NH2+]1 ZINC000638210019 352072692 /nfs/dbraw/zinc/07/26/92/352072692.db2.gz GNWFIJQGRIAKGD-QWRGUYRKSA-N 2 0 240.351 -0.852 20 0 BBADRP C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CC[NH2+]1 ZINC000638210021 352072835 /nfs/dbraw/zinc/07/28/35/352072835.db2.gz GNWFIJQGRIAKGD-WDEREUQCSA-N 2 0 240.351 -0.852 20 0 BBADRP COC[C@@]1(C(=O)NC[C@H](C)[NH3+])CCCC[NH2+]1 ZINC000638210468 352073505 /nfs/dbraw/zinc/07/35/05/352073505.db2.gz HIYMYMSATOXWLG-GXSJLCMTSA-N 2 0 229.324 -0.392 20 0 BBADRP COC[C@]1(C(=O)NC[C@@H](C)[NH3+])CCCC[NH2+]1 ZINC000638210469 352073463 /nfs/dbraw/zinc/07/34/63/352073463.db2.gz HIYMYMSATOXWLG-KOLCDFICSA-N 2 0 229.324 -0.392 20 0 BBADRP COC[C@@]1(C(=O)NC[C@@H](C)[NH3+])CCCC[NH2+]1 ZINC000638210470 352073452 /nfs/dbraw/zinc/07/34/52/352073452.db2.gz HIYMYMSATOXWLG-MWLCHTKSSA-N 2 0 229.324 -0.392 20 0 BBADRP COC[C@]1(C(=O)NC[C@H](C)[NH3+])CCCC[NH2+]1 ZINC000638210471 352073407 /nfs/dbraw/zinc/07/34/07/352073407.db2.gz HIYMYMSATOXWLG-ONGXEEELSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638211192 352076858 /nfs/dbraw/zinc/07/68/58/352076858.db2.gz OGYBWJZNKLRRDE-PSASIEDQSA-N 2 0 215.297 -0.795 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638211195 352076824 /nfs/dbraw/zinc/07/68/24/352076824.db2.gz OGYBWJZNKLRRDE-SCZZXKLOSA-N 2 0 215.297 -0.795 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638211197 352076977 /nfs/dbraw/zinc/07/69/77/352076977.db2.gz OGYBWJZNKLRRDE-WCBMZHEXSA-N 2 0 215.297 -0.795 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638211198 352076957 /nfs/dbraw/zinc/07/69/57/352076957.db2.gz OGYBWJZNKLRRDE-WPRPVWTQSA-N 2 0 215.297 -0.795 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638211747 352074219 /nfs/dbraw/zinc/07/42/19/352074219.db2.gz ASTXSPDSPGINFZ-CKYFFXLPSA-N 2 0 243.351 -0.132 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638211749 352074019 /nfs/dbraw/zinc/07/40/19/352074019.db2.gz ASTXSPDSPGINFZ-FOGDFJRCSA-N 2 0 243.351 -0.132 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638211751 352074163 /nfs/dbraw/zinc/07/41/63/352074163.db2.gz ASTXSPDSPGINFZ-JFGNBEQYSA-N 2 0 243.351 -0.132 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638211753 352074082 /nfs/dbraw/zinc/07/40/82/352074082.db2.gz ASTXSPDSPGINFZ-SCVCMEIPSA-N 2 0 243.351 -0.132 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638211792 352074149 /nfs/dbraw/zinc/07/41/49/352074149.db2.gz BNNWRQKCHWVKNT-HRDYMLBCSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]([NH3+])CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000638211908 352074263 /nfs/dbraw/zinc/07/42/63/352074263.db2.gz VBYVYYDRRVEYTB-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000638211909 352074101 /nfs/dbraw/zinc/07/41/01/352074101.db2.gz VBYVYYDRRVEYTB-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000638211982 352074246 /nfs/dbraw/zinc/07/42/46/352074246.db2.gz XFMPTWQGMDLCGG-CKYFFXLPSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000638211983 352074074 /nfs/dbraw/zinc/07/40/74/352074074.db2.gz XFMPTWQGMDLCGG-FOGDFJRCSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000638211984 352073928 /nfs/dbraw/zinc/07/39/28/352073928.db2.gz XFMPTWQGMDLCGG-JFGNBEQYSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000638211985 352074093 /nfs/dbraw/zinc/07/40/93/352074093.db2.gz XFMPTWQGMDLCGG-SCVCMEIPSA-N 2 0 241.335 -0.378 20 0 BBADRP Cc1nc[nH]c1CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638212899 352075276 /nfs/dbraw/zinc/07/52/76/352075276.db2.gz ABOJOJFGADXTQW-AOOOYVTPSA-N 2 0 234.303 -0.062 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638212939 352075228 /nfs/dbraw/zinc/07/52/28/352075228.db2.gz AZYWNCGITBJECY-AXFHLTTASA-N 2 0 221.304 -0.288 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638212940 352075202 /nfs/dbraw/zinc/07/52/02/352075202.db2.gz AZYWNCGITBJECY-OUAUKWLOSA-N 2 0 221.304 -0.288 20 0 BBADRP C[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]CCO1 ZINC000638213780 352075914 /nfs/dbraw/zinc/07/59/14/352075914.db2.gz IXYTZJMZXMLBPF-JFGNBEQYSA-N 2 0 239.319 -0.957 20 0 BBADRP C[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]CCO1 ZINC000638213794 352075873 /nfs/dbraw/zinc/07/58/73/352075873.db2.gz IXYTZJMZXMLBPF-UMNHJUIQSA-N 2 0 239.319 -0.957 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213872 352075729 /nfs/dbraw/zinc/07/57/29/352075729.db2.gz QQEFPRYQTHFLJW-BBBLOLIVSA-N 2 0 211.309 -0.338 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213874 352075614 /nfs/dbraw/zinc/07/56/14/352075614.db2.gz QQEFPRYQTHFLJW-LPEHRKFASA-N 2 0 211.309 -0.338 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638214096 352075671 /nfs/dbraw/zinc/07/56/71/352075671.db2.gz USQXYYZMJKWUCI-PWSUYJOCSA-N 2 0 243.351 -0.144 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638214097 352075769 /nfs/dbraw/zinc/07/57/69/352075769.db2.gz USQXYYZMJKWUCI-ZYHUDNBSSA-N 2 0 243.351 -0.144 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)CN1CC[NH2+]CC1 ZINC000638214107 352076299 /nfs/dbraw/zinc/07/62/99/352076299.db2.gz VKBOXNAARIVRMD-SNVBAGLBSA-N 2 0 228.340 -0.994 20 0 BBADRP C[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000638214476 352076231 /nfs/dbraw/zinc/07/62/31/352076231.db2.gz XEBMQRUYINIDMG-BBBLOLIVSA-N 2 0 211.309 -0.386 20 0 BBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638215528 352078049 /nfs/dbraw/zinc/07/80/49/352078049.db2.gz ABHVCAHZILFQTH-GARJFASQSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638215529 352078305 /nfs/dbraw/zinc/07/83/05/352078305.db2.gz ABHVCAHZILFQTH-OUAUKWLOSA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638220226 352079466 /nfs/dbraw/zinc/07/94/66/352079466.db2.gz OBMIDHGTORPLFX-NEPJUHHUSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638220227 352079480 /nfs/dbraw/zinc/07/94/80/352079480.db2.gz OBMIDHGTORPLFX-NWDGAFQWSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638220228 352079356 /nfs/dbraw/zinc/07/93/56/352079356.db2.gz OBMIDHGTORPLFX-RYUDHWBXSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638220229 352079533 /nfs/dbraw/zinc/07/95/33/352079533.db2.gz OBMIDHGTORPLFX-VXGBXAGGSA-N 2 0 241.335 -0.438 20 0 BBADRP COCC1(CNC(=O)C[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000638224289 352083288 /nfs/dbraw/zinc/08/32/88/352083288.db2.gz HDMLODNHVYPCLT-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP C[NH+](C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638227241 352082913 /nfs/dbraw/zinc/08/29/13/352082913.db2.gz OJZFWRDDZSFCHJ-JTQLQIEISA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638227242 352083135 /nfs/dbraw/zinc/08/31/35/352083135.db2.gz OJZFWRDDZSFCHJ-SNVBAGLBSA-N 2 0 215.297 -0.957 20 0 BBADRP COC[C@]1(CNC(=O)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000638227851 352084393 /nfs/dbraw/zinc/08/43/93/352084393.db2.gz CSTHMAKBDWOFAS-GXSJLCMTSA-N 2 0 229.324 -0.392 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638227930 352084403 /nfs/dbraw/zinc/08/44/03/352084403.db2.gz USNINDUZMQUBGA-LLVKDONJSA-N 2 0 229.324 -0.580 20 0 BBADRP C[NH+](C)CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638227934 352084529 /nfs/dbraw/zinc/08/45/29/352084529.db2.gz USNINDUZMQUBGA-NSHDSACASA-N 2 0 229.324 -0.580 20 0 BBADRP COC[C@@]1(C(=O)NCC[NH+](C)C)CCCC[NH2+]1 ZINC000638228032 352084490 /nfs/dbraw/zinc/08/44/90/352084490.db2.gz WCHQNZPSYOIOIV-GFCCVEGCSA-N 2 0 243.351 -0.177 20 0 BBADRP COC[C@]1(C(=O)NCC[NH+](C)C)CCCC[NH2+]1 ZINC000638228033 352084441 /nfs/dbraw/zinc/08/44/41/352084441.db2.gz WCHQNZPSYOIOIV-LBPRGKRZSA-N 2 0 243.351 -0.177 20 0 BBADRP COC[C@@]1(CNC(=O)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000638228152 352084073 /nfs/dbraw/zinc/08/40/73/352084073.db2.gz CSTHMAKBDWOFAS-ONGXEEELSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000638229942 352083391 /nfs/dbraw/zinc/08/33/91/352083391.db2.gz RXRLPTBMWRCSBQ-CMPLNLGQSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000638229944 352083388 /nfs/dbraw/zinc/08/33/88/352083388.db2.gz RXRLPTBMWRCSBQ-JQWIXIFHSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000638229945 352083803 /nfs/dbraw/zinc/08/38/03/352083803.db2.gz RXRLPTBMWRCSBQ-PWSUYJOCSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000638229947 352083526 /nfs/dbraw/zinc/08/35/26/352083526.db2.gz RXRLPTBMWRCSBQ-ZYHUDNBSSA-N 2 0 243.351 -0.131 20 0 BBADRP COC[C@@]1(CNC(=O)[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000638230655 352083901 /nfs/dbraw/zinc/08/39/01/352083901.db2.gz LUMYQFUFKVRNPO-PWSUYJOCSA-N 2 0 243.351 -0.179 20 0 BBADRP COC[C@]1(CNC(=O)[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000638230656 352083409 /nfs/dbraw/zinc/08/34/09/352083409.db2.gz LUMYQFUFKVRNPO-ZYHUDNBSSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638233994 352085716 /nfs/dbraw/zinc/08/57/16/352085716.db2.gz IHWGIOSXHFDSDX-XSPKLOCKSA-N 2 0 213.281 -0.949 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000638235353 352086346 /nfs/dbraw/zinc/08/63/46/352086346.db2.gz OACUMAMRSAXDLV-GMOBBJLQSA-N 2 0 241.335 -0.299 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638237759 352089151 /nfs/dbraw/zinc/08/91/51/352089151.db2.gz WGWSOOOJMHNJRF-QWRGUYRKSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638237760 352089144 /nfs/dbraw/zinc/08/91/44/352089144.db2.gz WGWSOOOJMHNJRF-WDEREUQCSA-N 2 0 240.351 -0.770 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638242076 352089416 /nfs/dbraw/zinc/08/94/16/352089416.db2.gz APMCWHPVNXHDFC-SVDPJWKOSA-N 2 0 223.320 -0.338 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638242078 352089734 /nfs/dbraw/zinc/08/97/34/352089734.db2.gz APMCWHPVNXHDFC-UXCLJVHYSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638242451 352089565 /nfs/dbraw/zinc/08/95/65/352089565.db2.gz FAJAJTPYQKEESX-KXUCPTDWSA-N 2 0 229.324 -0.264 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638242452 352089485 /nfs/dbraw/zinc/08/94/85/352089485.db2.gz FAJAJTPYQKEESX-LPEHRKFASA-N 2 0 229.324 -0.264 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638242661 352090070 /nfs/dbraw/zinc/09/00/70/352090070.db2.gz GEZDUBXDADUGNJ-CMPLNLGQSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638242662 352090244 /nfs/dbraw/zinc/09/02/44/352090244.db2.gz GEZDUBXDADUGNJ-JQWIXIFHSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638242663 352089990 /nfs/dbraw/zinc/08/99/90/352089990.db2.gz GEZDUBXDADUGNJ-PWSUYJOCSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638242664 352090396 /nfs/dbraw/zinc/09/03/96/352090396.db2.gz GEZDUBXDADUGNJ-ZYHUDNBSSA-N 2 0 243.351 -0.001 20 0 BBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243320 352090884 /nfs/dbraw/zinc/09/08/84/352090884.db2.gz NHQLEUQLICULGV-ZRUFSTJUSA-N 2 0 223.320 -0.195 20 0 BBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000638243334 352090627 /nfs/dbraw/zinc/09/06/27/352090627.db2.gz NTEWUERFDSCXRI-MYJAWHEDSA-N 2 0 223.320 -0.338 20 0 BBADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638244291 398080686 /nfs/dbraw/zinc/08/06/86/398080686.db2.gz HTMNATXJIXMUST-MYJAWHEDSA-N 2 0 235.287 -0.006 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638244660 398081430 /nfs/dbraw/zinc/08/14/30/398081430.db2.gz JYFODSXJPMTENU-AXTSPUMRSA-N 2 0 207.277 -0.632 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638244665 398081535 /nfs/dbraw/zinc/08/15/35/398081535.db2.gz JYFODSXJPMTENU-IMSYWVGJSA-N 2 0 207.277 -0.632 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638244825 352092495 /nfs/dbraw/zinc/09/24/95/352092495.db2.gz ZSZPCFFPRMWBCS-LLVKDONJSA-N 2 0 242.367 -0.475 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638244826 352092428 /nfs/dbraw/zinc/09/24/28/352092428.db2.gz ZSZPCFFPRMWBCS-NSHDSACASA-N 2 0 242.367 -0.475 20 0 BBADRP [NH3+]C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCOC1 ZINC000638246625 352093262 /nfs/dbraw/zinc/09/32/62/352093262.db2.gz UICJGEMUIISTSZ-FYLLDIAZSA-N 2 0 239.319 -0.924 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCOC1 ZINC000638246634 352093357 /nfs/dbraw/zinc/09/33/57/352093357.db2.gz UICJGEMUIISTSZ-XNDJQWLSSA-N 2 0 239.319 -0.924 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C[NH2+]CCO1 ZINC000638246687 352093272 /nfs/dbraw/zinc/09/32/72/352093272.db2.gz DFPZLMLCVMIJCP-ATZCPNFKSA-N 2 0 245.298 -0.819 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C[NH2+]CCO1 ZINC000638246688 352093380 /nfs/dbraw/zinc/09/33/80/352093380.db2.gz DFPZLMLCVMIJCP-QXEWZRGKSA-N 2 0 245.298 -0.819 20 0 BBADRP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638246838 352093414 /nfs/dbraw/zinc/09/34/14/352093414.db2.gz FSQWLEOLUAXOHP-UWVGGRQHSA-N 2 0 229.299 -0.198 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638246916 352093244 /nfs/dbraw/zinc/09/32/44/352093244.db2.gz USULBYFUXVIKQE-DSPMHBFJSA-N 2 0 239.319 -0.913 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638246928 352093219 /nfs/dbraw/zinc/09/32/19/352093219.db2.gz USULBYFUXVIKQE-YOQJGNTNSA-N 2 0 239.319 -0.913 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638246974 352093277 /nfs/dbraw/zinc/09/32/77/352093277.db2.gz MHCSSMHOCJYXNE-UHFFFAOYSA-N 2 0 242.367 -0.475 20 0 BBADRP C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[NH+](C)C ZINC000638247673 352093570 /nfs/dbraw/zinc/09/35/70/352093570.db2.gz KDSHFENUHNMDFH-VGMNWLOBSA-N 2 0 217.288 -0.247 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638248577 352094659 /nfs/dbraw/zinc/09/46/59/352094659.db2.gz QNRLZRTUAXUVJQ-CIUDSAMLSA-N 2 0 217.288 -0.199 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638248578 352094677 /nfs/dbraw/zinc/09/46/77/352094677.db2.gz QNRLZRTUAXUVJQ-VGMNWLOBSA-N 2 0 217.288 -0.199 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638249533 352095146 /nfs/dbraw/zinc/09/51/46/352095146.db2.gz ZJRGCKTZMSMGJL-AEJSXWLSSA-N 2 0 227.283 -0.150 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638249534 352095374 /nfs/dbraw/zinc/09/53/74/352095374.db2.gz ZJRGCKTZMSMGJL-GUBZILKMSA-N 2 0 227.283 -0.150 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638250787 386054681 /nfs/dbraw/zinc/05/46/81/386054681.db2.gz ACJWBNMKRVOGNP-JTQLQIEISA-N 2 0 228.340 -0.865 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638250788 386055688 /nfs/dbraw/zinc/05/56/88/386055688.db2.gz ACJWBNMKRVOGNP-SNVBAGLBSA-N 2 0 228.340 -0.865 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638251334 352094455 /nfs/dbraw/zinc/09/44/55/352094455.db2.gz USULBYFUXVIKQE-RWHSBRQSSA-N 2 0 239.319 -0.913 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638251335 352094749 /nfs/dbraw/zinc/09/47/49/352094749.db2.gz USULBYFUXVIKQE-ZXUATJPGSA-N 2 0 239.319 -0.913 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)CCC[NH3+])C1 ZINC000638251931 352095150 /nfs/dbraw/zinc/09/51/50/352095150.db2.gz NLJOUEYWNJPGIR-JBLDHEPKSA-N 2 0 243.351 -0.003 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)CCC[NH3+])C1 ZINC000638251932 352095171 /nfs/dbraw/zinc/09/51/71/352095171.db2.gz NLJOUEYWNJPGIR-JFGNBEQYSA-N 2 0 243.351 -0.003 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)CCC[NH3+])C1 ZINC000638251933 352095219 /nfs/dbraw/zinc/09/52/19/352095219.db2.gz NLJOUEYWNJPGIR-NHCYSSNCSA-N 2 0 243.351 -0.003 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)CCC[NH3+])C1 ZINC000638251934 352095198 /nfs/dbraw/zinc/09/51/98/352095198.db2.gz NLJOUEYWNJPGIR-SCVCMEIPSA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638252135 352095803 /nfs/dbraw/zinc/09/58/03/352095803.db2.gz PQZYEOGYZHXIBV-CMPLNLGQSA-N 2 0 243.351 -0.015 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638252136 352095864 /nfs/dbraw/zinc/09/58/64/352095864.db2.gz PQZYEOGYZHXIBV-JQWIXIFHSA-N 2 0 243.351 -0.015 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638252137 352095951 /nfs/dbraw/zinc/09/59/51/352095951.db2.gz PQZYEOGYZHXIBV-PWSUYJOCSA-N 2 0 243.351 -0.015 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638252138 352095918 /nfs/dbraw/zinc/09/59/18/352095918.db2.gz PQZYEOGYZHXIBV-ZYHUDNBSSA-N 2 0 243.351 -0.015 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638252621 352095820 /nfs/dbraw/zinc/09/58/20/352095820.db2.gz UYVPMTBSMZDNPM-GXSJLCMTSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638252623 352095831 /nfs/dbraw/zinc/09/58/31/352095831.db2.gz UYVPMTBSMZDNPM-KOLCDFICSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638252624 352095957 /nfs/dbraw/zinc/09/59/57/352095957.db2.gz UYVPMTBSMZDNPM-MWLCHTKSSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638252625 352096030 /nfs/dbraw/zinc/09/60/30/352096030.db2.gz UYVPMTBSMZDNPM-ONGXEEELSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000638254843 352098062 /nfs/dbraw/zinc/09/80/62/352098062.db2.gz IJAAXMCCFOPABM-DKIAZLNASA-N 2 0 229.324 -0.395 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000638254844 352098093 /nfs/dbraw/zinc/09/80/93/352098093.db2.gz IJAAXMCCFOPABM-HJGDQZAQSA-N 2 0 229.324 -0.395 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000638254846 352097959 /nfs/dbraw/zinc/09/79/59/352097959.db2.gz IJAAXMCCFOPABM-KBIXCLLPSA-N 2 0 229.324 -0.395 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000638254848 352098113 /nfs/dbraw/zinc/09/81/13/352098113.db2.gz IJAAXMCCFOPABM-REIXXSIJSA-N 2 0 229.324 -0.395 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638255242 352097969 /nfs/dbraw/zinc/09/79/69/352097969.db2.gz KOEGOVWYORYTRG-ATZCPNFKSA-N 2 0 229.324 -0.406 20 0 BBADRP C[C@@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)[C@H](C)[NH3+] ZINC000638255243 352098042 /nfs/dbraw/zinc/09/80/42/352098042.db2.gz KOEGOVWYORYTRG-IQJOONFLSA-N 2 0 229.324 -0.406 20 0 BBADRP C[C@@H](NC(=O)[C@]1(C[NH3+])CCCOC1)[C@H](C)[NH3+] ZINC000638255244 352098060 /nfs/dbraw/zinc/09/80/60/352098060.db2.gz KOEGOVWYORYTRG-NGZCFLSTSA-N 2 0 229.324 -0.406 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638255245 352098028 /nfs/dbraw/zinc/09/80/28/352098028.db2.gz KOEGOVWYORYTRG-QXEWZRGKSA-N 2 0 229.324 -0.406 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638255293 352098716 /nfs/dbraw/zinc/09/87/16/352098716.db2.gz LDRRHCBRIQLAAD-NRPADANISA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638255295 352098988 /nfs/dbraw/zinc/09/89/88/352098988.db2.gz LDRRHCBRIQLAAD-OYNCUSHFSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000638255297 352098688 /nfs/dbraw/zinc/09/86/88/352098688.db2.gz LDRRHCBRIQLAAD-QXFUBDJGSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H](NC(=O)[C@]1(C)C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000638255299 352098763 /nfs/dbraw/zinc/09/87/63/352098763.db2.gz LDRRHCBRIQLAAD-XKSSXDPKSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]([NH3+])CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000638255473 352098664 /nfs/dbraw/zinc/09/86/64/352098664.db2.gz KROFRKRELPYCFZ-NTSWFWBYSA-N 2 0 209.240 -0.178 20 0 BBADRP C[C@H]([NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638255475 352098953 /nfs/dbraw/zinc/09/89/53/352098953.db2.gz KROFRKRELPYCFZ-WDSKDSINSA-N 2 0 209.240 -0.178 20 0 BBADRP CN(C(=O)CCC1C[NH2+]C1)C1CC([NH3+])C1 ZINC000638255534 352098703 /nfs/dbraw/zinc/09/87/03/352098703.db2.gz KZQABZVFSXTJAU-UHFFFAOYSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000638256247 352103534 /nfs/dbraw/zinc/10/35/34/352103534.db2.gz SAKGBTRWXHZACY-IDKOKCKLSA-N 2 0 209.293 -0.018 20 0 BBADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000638256548 352103496 /nfs/dbraw/zinc/10/34/96/352103496.db2.gz SAKGBTRWXHZACY-XNWIYYODSA-N 2 0 209.293 -0.018 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)[C@@H](C)[NH3+])CCCC[NH2+]1 ZINC000638256700 352100073 /nfs/dbraw/zinc/10/00/73/352100073.db2.gz QSSZDTURWWONSX-FOGDFJRCSA-N 2 0 243.351 -0.003 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)[C@H](C)[NH3+])CCCC[NH2+]1 ZINC000638256701 352100011 /nfs/dbraw/zinc/10/00/11/352100011.db2.gz QSSZDTURWWONSX-NHCYSSNCSA-N 2 0 243.351 -0.003 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CCCC[NH2+]1 ZINC000638256702 352099983 /nfs/dbraw/zinc/09/99/83/352099983.db2.gz QSSZDTURWWONSX-SCVCMEIPSA-N 2 0 243.351 -0.003 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)[C@H](C)[NH3+])CCCC[NH2+]1 ZINC000638256703 352099989 /nfs/dbraw/zinc/09/99/89/352099989.db2.gz QSSZDTURWWONSX-UMNHJUIQSA-N 2 0 243.351 -0.003 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638258417 352101880 /nfs/dbraw/zinc/10/18/80/352101880.db2.gz HABAXIHHTVDXNX-ATZCPNFKSA-N 2 0 229.324 -0.393 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638258418 352101696 /nfs/dbraw/zinc/10/16/96/352101696.db2.gz HABAXIHHTVDXNX-IQJOONFLSA-N 2 0 229.324 -0.393 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638258419 352101936 /nfs/dbraw/zinc/10/19/36/352101936.db2.gz HABAXIHHTVDXNX-NGZCFLSTSA-N 2 0 229.324 -0.393 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638258420 352101884 /nfs/dbraw/zinc/10/18/84/352101884.db2.gz HABAXIHHTVDXNX-QXEWZRGKSA-N 2 0 229.324 -0.393 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638258771 352102623 /nfs/dbraw/zinc/10/26/23/352102623.db2.gz JXNOAHOZLWKCAK-GXSJLCMTSA-N 2 0 229.324 -0.405 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638258772 352102348 /nfs/dbraw/zinc/10/23/48/352102348.db2.gz JXNOAHOZLWKCAK-KOLCDFICSA-N 2 0 229.324 -0.405 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638258773 352102469 /nfs/dbraw/zinc/10/24/69/352102469.db2.gz JXNOAHOZLWKCAK-MWLCHTKSSA-N 2 0 229.324 -0.405 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638258774 352102360 /nfs/dbraw/zinc/10/23/60/352102360.db2.gz JXNOAHOZLWKCAK-ONGXEEELSA-N 2 0 229.324 -0.405 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638259761 352103132 /nfs/dbraw/zinc/10/31/32/352103132.db2.gz SOGGQRRRYJQMPQ-CMPLNLGQSA-N 2 0 243.351 -0.001 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638259762 352102885 /nfs/dbraw/zinc/10/28/85/352102885.db2.gz SOGGQRRRYJQMPQ-JQWIXIFHSA-N 2 0 243.351 -0.001 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638259764 352103003 /nfs/dbraw/zinc/10/30/03/352103003.db2.gz SOGGQRRRYJQMPQ-PWSUYJOCSA-N 2 0 243.351 -0.001 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638259766 352102994 /nfs/dbraw/zinc/10/29/94/352102994.db2.gz SOGGQRRRYJQMPQ-ZYHUDNBSSA-N 2 0 243.351 -0.001 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638260064 352102509 /nfs/dbraw/zinc/10/25/09/352102509.db2.gz UQDBOFIJSHINNU-PSASIEDQSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638260065 352102364 /nfs/dbraw/zinc/10/23/64/352102364.db2.gz UQDBOFIJSHINNU-SCZZXKLOSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638260066 352102535 /nfs/dbraw/zinc/10/25/35/352102535.db2.gz UQDBOFIJSHINNU-WCBMZHEXSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638260067 352102378 /nfs/dbraw/zinc/10/23/78/352102378.db2.gz UQDBOFIJSHINNU-WPRPVWTQSA-N 2 0 215.297 -0.782 20 0 BBADRP CN(C(=O)CN1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000638261963 352104142 /nfs/dbraw/zinc/10/41/42/352104142.db2.gz JVEHWQYHBHOWRI-UHFFFAOYSA-N 2 0 240.351 -0.769 20 0 BBADRP C[C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000638263831 352105782 /nfs/dbraw/zinc/10/57/82/352105782.db2.gz DDUGIHFRTDTQNF-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000638263833 352105624 /nfs/dbraw/zinc/10/56/24/352105624.db2.gz DDUGIHFRTDTQNF-ZJUUUORDSA-N 2 0 229.324 -0.569 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000638264646 352104811 /nfs/dbraw/zinc/10/48/11/352104811.db2.gz GIKZQJMWZWCIED-AXFHLTTASA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000638264647 352104873 /nfs/dbraw/zinc/10/48/73/352104873.db2.gz GIKZQJMWZWCIED-MXWKQRLJSA-N 2 0 241.335 -0.249 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000638265593 352106185 /nfs/dbraw/zinc/10/61/85/352106185.db2.gz MJUFWLWIFMUFMN-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000638265594 352106127 /nfs/dbraw/zinc/10/61/27/352106127.db2.gz MJUFWLWIFMUFMN-UWVGGRQHSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000638265595 352106247 /nfs/dbraw/zinc/10/62/47/352106247.db2.gz MJUFWLWIFMUFMN-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000638265596 352106123 /nfs/dbraw/zinc/10/61/23/352106123.db2.gz MJUFWLWIFMUFMN-ZJUUUORDSA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638266594 352106036 /nfs/dbraw/zinc/10/60/36/352106036.db2.gz CFRTZXHWWSZRMP-CKYFFXLPSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638266595 352105987 /nfs/dbraw/zinc/10/59/87/352105987.db2.gz CFRTZXHWWSZRMP-HOSYDEDBSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638266596 352106081 /nfs/dbraw/zinc/10/60/81/352106081.db2.gz CFRTZXHWWSZRMP-JBLDHEPKSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638266597 352106087 /nfs/dbraw/zinc/10/60/87/352106087.db2.gz CFRTZXHWWSZRMP-JFGNBEQYSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638268145 352107869 /nfs/dbraw/zinc/10/78/69/352107869.db2.gz QTXJQQWITOLLNQ-LPEHRKFASA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638269827 352107178 /nfs/dbraw/zinc/10/71/78/352107178.db2.gz BJPMVRORYLDRAY-SECBINFHSA-N 2 0 249.318 -0.194 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638269828 352107528 /nfs/dbraw/zinc/10/75/28/352107528.db2.gz BJPMVRORYLDRAY-VIFPVBQESA-N 2 0 249.318 -0.194 20 0 BBADRP CC1(C)CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000638270333 352107137 /nfs/dbraw/zinc/10/71/37/352107137.db2.gz HJUGGISVXONSLJ-DTWKUNHWSA-N 2 0 227.308 -0.687 20 0 BBADRP CC1(C)CN(C(=O)CN2CC[NH2+]CC2)CC[NH2+]1 ZINC000638271040 352109157 /nfs/dbraw/zinc/10/91/57/352109157.db2.gz QZCJFNRGXLIBNW-UHFFFAOYSA-N 2 0 240.351 -0.898 20 0 BBADRP CC1(C)CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000638271136 352109540 /nfs/dbraw/zinc/10/95/40/352109540.db2.gz SUOJYXJOVHMUTA-GFCCVEGCSA-N 2 0 241.335 -0.425 20 0 BBADRP CC1(C)CN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[NH2+]1 ZINC000638271137 352109367 /nfs/dbraw/zinc/10/93/67/352109367.db2.gz SUOJYXJOVHMUTA-LBPRGKRZSA-N 2 0 241.335 -0.425 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638271683 352109255 /nfs/dbraw/zinc/10/92/55/352109255.db2.gz ZVRQLWUKAWUEOE-JTQLQIEISA-N 2 0 240.351 -0.852 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638271684 352110197 /nfs/dbraw/zinc/11/01/97/352110197.db2.gz ZVRQLWUKAWUEOE-SNVBAGLBSA-N 2 0 240.351 -0.852 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2c[nH]cn2)C1 ZINC000638281922 386109898 /nfs/dbraw/zinc/10/98/98/386109898.db2.gz QJDQUCVJLZQJBS-GXSJLCMTSA-N 2 0 238.291 -0.207 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2c[nH]cn2)C1 ZINC000638281923 386108536 /nfs/dbraw/zinc/10/85/36/386108536.db2.gz QJDQUCVJLZQJBS-KOLCDFICSA-N 2 0 238.291 -0.207 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2c[nH]cn2)C1 ZINC000638281924 386108496 /nfs/dbraw/zinc/10/84/96/386108496.db2.gz QJDQUCVJLZQJBS-MWLCHTKSSA-N 2 0 238.291 -0.207 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2c[nH]cn2)C1 ZINC000638281925 386109764 /nfs/dbraw/zinc/10/97/64/386109764.db2.gz QJDQUCVJLZQJBS-ONGXEEELSA-N 2 0 238.291 -0.207 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638291309 352126937 /nfs/dbraw/zinc/12/69/37/352126937.db2.gz OCZPQXDWMLTBHH-LLVKDONJSA-N 2 0 241.335 -0.272 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638291310 352127074 /nfs/dbraw/zinc/12/70/74/352127074.db2.gz OCZPQXDWMLTBHH-NSHDSACASA-N 2 0 241.335 -0.272 20 0 BBADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638291729 352127229 /nfs/dbraw/zinc/12/72/29/352127229.db2.gz AGWQAIAGWQNLRC-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC000638292069 352127919 /nfs/dbraw/zinc/12/79/19/352127919.db2.gz UFNGWDTYFBMWIN-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCCOCC[NH+](C)C ZINC000638292075 352128050 /nfs/dbraw/zinc/12/80/50/352128050.db2.gz UFNGWDTYFBMWIN-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP C[NH+](C)C(C)(C)CNCc1cnc(N)nc1N ZINC000638292251 352127681 /nfs/dbraw/zinc/12/76/81/352127681.db2.gz URVHQOKIADFTNL-UHFFFAOYSA-N 2 0 238.339 -0.268 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCCN1CCCOCC1 ZINC000638292519 352127641 /nfs/dbraw/zinc/12/76/41/352127641.db2.gz DEEMSVXPIWOAJY-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCCN1CCCOCC1 ZINC000638292520 352127766 /nfs/dbraw/zinc/12/77/66/352127766.db2.gz DEEMSVXPIWOAJY-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCOCCNC(=O)CCC1C[NH2+]C1 ZINC000638292668 352127822 /nfs/dbraw/zinc/12/78/22/352127822.db2.gz XRKSZKITEKHPSI-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000638295880 352129480 /nfs/dbraw/zinc/12/94/80/352129480.db2.gz XQZXRRCDTCIACG-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638304171 352132498 /nfs/dbraw/zinc/13/24/98/352132498.db2.gz MKUUBMZHGJJVIO-WDEREUQCSA-N 2 0 241.335 -0.345 20 0 BBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000638333198 352151906 /nfs/dbraw/zinc/15/19/06/352151906.db2.gz UTOMTTHRQNEVFF-LLVKDONJSA-N 2 0 240.351 -0.913 20 0 BBADRP CN(C(=O)CN1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000638333200 352151483 /nfs/dbraw/zinc/15/14/83/352151483.db2.gz UTOMTTHRQNEVFF-NSHDSACASA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638334681 352153044 /nfs/dbraw/zinc/15/30/44/352153044.db2.gz DVNJPMLPWUPZFD-ATZCPNFKSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638334683 352153213 /nfs/dbraw/zinc/15/32/13/352153213.db2.gz DVNJPMLPWUPZFD-QXEWZRGKSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638334696 352153047 /nfs/dbraw/zinc/15/30/47/352153047.db2.gz FHXUPFLXWMCBIO-HGNGGELXSA-N 2 0 209.293 -0.018 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638334961 352152474 /nfs/dbraw/zinc/15/24/74/352152474.db2.gz FHXUPFLXWMCBIO-SFGNSQDASA-N 2 0 209.293 -0.018 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638335252 352155864 /nfs/dbraw/zinc/15/58/64/352155864.db2.gz KHQZIZMZOSVCGO-JBLDHEPKSA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638335253 352156280 /nfs/dbraw/zinc/15/62/80/352156280.db2.gz KHQZIZMZOSVCGO-NHCYSSNCSA-N 2 0 241.335 -0.310 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000638335548 352154562 /nfs/dbraw/zinc/15/45/62/352154562.db2.gz OACUMAMRSAXDLV-MIZYBKAJSA-N 2 0 241.335 -0.299 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000638335549 352154452 /nfs/dbraw/zinc/15/44/52/352154452.db2.gz OACUMAMRSAXDLV-QFOLPQNPSA-N 2 0 241.335 -0.299 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000638335550 352154500 /nfs/dbraw/zinc/15/45/00/352154500.db2.gz OACUMAMRSAXDLV-WYFGTUCQSA-N 2 0 241.335 -0.299 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638336019 352154463 /nfs/dbraw/zinc/15/44/63/352154463.db2.gz PLEOIWZSUVDORX-JTQLQIEISA-N 2 0 242.367 -0.619 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638336020 352154309 /nfs/dbraw/zinc/15/43/09/352154309.db2.gz PLEOIWZSUVDORX-SNVBAGLBSA-N 2 0 242.367 -0.619 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@@]1(C)C[NH3+] ZINC000638336601 352155147 /nfs/dbraw/zinc/15/51/47/352155147.db2.gz CJPMPSQQNMVMNU-DTHBNOIPSA-N 2 0 241.335 -0.454 20 0 BBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000638336997 352155142 /nfs/dbraw/zinc/15/51/42/352155142.db2.gz ANXRAKKMVYKOEG-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000638336998 352154913 /nfs/dbraw/zinc/15/49/13/352154913.db2.gz ANXRAKKMVYKOEG-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000638337044 352155312 /nfs/dbraw/zinc/15/53/12/352155312.db2.gz BRNKTECEZUCZPJ-GHMZBOCLSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000638337045 352155410 /nfs/dbraw/zinc/15/54/10/352155410.db2.gz BRNKTECEZUCZPJ-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000638337046 352155238 /nfs/dbraw/zinc/15/52/38/352155238.db2.gz BRNKTECEZUCZPJ-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000638337047 352155091 /nfs/dbraw/zinc/15/50/91/352155091.db2.gz BRNKTECEZUCZPJ-WDEREUQCSA-N 2 0 241.335 -0.567 20 0 BBADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638337249 352156183 /nfs/dbraw/zinc/15/61/83/352156183.db2.gz DZFQWLXWTGRSGB-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638337250 352155902 /nfs/dbraw/zinc/15/59/02/352155902.db2.gz DZFQWLXWTGRSGB-MNOVXSKESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000638337251 352156093 /nfs/dbraw/zinc/15/60/93/352156093.db2.gz DZFQWLXWTGRSGB-QWRGUYRKSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000638337252 352156186 /nfs/dbraw/zinc/15/61/86/352156186.db2.gz DZFQWLXWTGRSGB-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP C[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000638337902 352157897 /nfs/dbraw/zinc/15/78/97/352157897.db2.gz MCJZWZYESUOWGT-BDAKNGLRSA-N 2 0 215.297 -0.959 20 0 BBADRP C[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000638337903 352157763 /nfs/dbraw/zinc/15/77/63/352157763.db2.gz MCJZWZYESUOWGT-RKDXNWHRSA-N 2 0 215.297 -0.959 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000638338033 352157806 /nfs/dbraw/zinc/15/78/06/352157806.db2.gz PQKPNIJBNWDGPE-BDAKNGLRSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638338034 352158030 /nfs/dbraw/zinc/15/80/30/352158030.db2.gz PQKPNIJBNWDGPE-DTWKUNHWSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000638338035 352158333 /nfs/dbraw/zinc/15/83/33/352158333.db2.gz PQKPNIJBNWDGPE-IUCAKERBSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638338036 352157889 /nfs/dbraw/zinc/15/78/89/352157889.db2.gz PQKPNIJBNWDGPE-RKDXNWHRSA-N 2 0 215.297 -0.911 20 0 BBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638338280 352159054 /nfs/dbraw/zinc/15/90/54/352159054.db2.gz VCEAQWVRELOLSA-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000638338281 352158837 /nfs/dbraw/zinc/15/88/37/352158837.db2.gz VCEAQWVRELOLSA-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CCCO1 ZINC000638341375 352160630 /nfs/dbraw/zinc/16/06/30/352160630.db2.gz BZEFAHYGDPMDLK-GHMZBOCLSA-N 2 0 239.319 -0.390 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CCCO1 ZINC000638341376 352160611 /nfs/dbraw/zinc/16/06/11/352160611.db2.gz BZEFAHYGDPMDLK-MNOVXSKESA-N 2 0 239.319 -0.390 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CCCO1 ZINC000638341377 352161113 /nfs/dbraw/zinc/16/11/13/352161113.db2.gz BZEFAHYGDPMDLK-QWRGUYRKSA-N 2 0 239.319 -0.390 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CCCO1 ZINC000638341378 352160743 /nfs/dbraw/zinc/16/07/43/352160743.db2.gz BZEFAHYGDPMDLK-WDEREUQCSA-N 2 0 239.319 -0.390 20 0 BBADRP CN(CC[NH3+])C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000638342480 352160036 /nfs/dbraw/zinc/16/00/36/352160036.db2.gz GWTYGBBPRZBOPH-UHFFFAOYSA-N 2 0 243.351 -0.238 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000638343155 352162561 /nfs/dbraw/zinc/16/25/61/352162561.db2.gz JPZNSUPBRZPICK-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000638343156 352162491 /nfs/dbraw/zinc/16/24/91/352162491.db2.gz JPZNSUPBRZPICK-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000638343157 352162387 /nfs/dbraw/zinc/16/23/87/352162387.db2.gz JPZNSUPBRZPICK-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000638343158 352162568 /nfs/dbraw/zinc/16/25/68/352162568.db2.gz JPZNSUPBRZPICK-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000638343518 352162253 /nfs/dbraw/zinc/16/22/53/352162253.db2.gz RNRJYNWZHIBYKB-CHWFTXMASA-N 2 0 241.335 -0.454 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@@H]1C[NH3+] ZINC000638343520 352162286 /nfs/dbraw/zinc/16/22/86/352162286.db2.gz RNRJYNWZHIBYKB-VPOLOUISSA-N 2 0 241.335 -0.454 20 0 BBADRP C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@@H]1C[NH3+] ZINC000638343522 352162474 /nfs/dbraw/zinc/16/24/74/352162474.db2.gz RNRJYNWZHIBYKB-XWLWVQCSSA-N 2 0 241.335 -0.454 20 0 BBADRP C[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000638343524 352162513 /nfs/dbraw/zinc/16/25/13/352162513.db2.gz RNRJYNWZHIBYKB-ZRUFSTJUSA-N 2 0 241.335 -0.454 20 0 BBADRP COC[C@@]1(C(=O)N(C)CC[NH3+])CCCC[NH2+]1 ZINC000638343875 352163124 /nfs/dbraw/zinc/16/31/24/352163124.db2.gz PTIQLDYPOVYBMN-LLVKDONJSA-N 2 0 229.324 -0.438 20 0 BBADRP COC[C@]1(C(=O)N(C)CC[NH3+])CCCC[NH2+]1 ZINC000638343876 352162916 /nfs/dbraw/zinc/16/29/16/352162916.db2.gz PTIQLDYPOVYBMN-NSHDSACASA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CC[NH3+])C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000638343963 352163015 /nfs/dbraw/zinc/16/30/15/352163015.db2.gz QBMCKJHCBCITQC-UHFFFAOYSA-N 2 0 239.323 -0.525 20 0 BBADRP CN(CC[NH3+])C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638344339 352163513 /nfs/dbraw/zinc/16/35/13/352163513.db2.gz RTUQWGRFZPKVDC-JTQLQIEISA-N 2 0 215.297 -0.841 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638344341 352163831 /nfs/dbraw/zinc/16/38/31/352163831.db2.gz RTUQWGRFZPKVDC-SNVBAGLBSA-N 2 0 215.297 -0.841 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638344349 352163822 /nfs/dbraw/zinc/16/38/22/352163822.db2.gz PKJRDRLJYPSXPR-GFCCVEGCSA-N 2 0 243.351 -0.190 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638344350 352163727 /nfs/dbraw/zinc/16/37/27/352163727.db2.gz PKJRDRLJYPSXPR-LBPRGKRZSA-N 2 0 243.351 -0.190 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)CC[NH3+])C1 ZINC000638344463 352163656 /nfs/dbraw/zinc/16/36/56/352163656.db2.gz UBWBTIYOOUJLQV-PSASIEDQSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)CC[NH3+])C1 ZINC000638344465 352163543 /nfs/dbraw/zinc/16/35/43/352163543.db2.gz UBWBTIYOOUJLQV-SCZZXKLOSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)CC[NH3+])C1 ZINC000638344467 352163580 /nfs/dbraw/zinc/16/35/80/352163580.db2.gz UBWBTIYOOUJLQV-WCBMZHEXSA-N 2 0 215.297 -0.830 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)CC[NH3+])C1 ZINC000638344469 352163753 /nfs/dbraw/zinc/16/37/53/352163753.db2.gz UBWBTIYOOUJLQV-WPRPVWTQSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000638345044 352161661 /nfs/dbraw/zinc/16/16/61/352161661.db2.gz WNSILDTZOWWTPR-NXEZZACHSA-N 2 0 229.324 -0.487 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638345834 352165166 /nfs/dbraw/zinc/16/51/66/352165166.db2.gz FJWCLZFXDCOYTG-CMPLNLGQSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638345835 352164886 /nfs/dbraw/zinc/16/48/86/352164886.db2.gz FJWCLZFXDCOYTG-JQWIXIFHSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638345836 352165044 /nfs/dbraw/zinc/16/50/44/352165044.db2.gz FJWCLZFXDCOYTG-PWSUYJOCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638345837 352165008 /nfs/dbraw/zinc/16/50/08/352165008.db2.gz FJWCLZFXDCOYTG-ZYHUDNBSSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638346830 352165167 /nfs/dbraw/zinc/16/51/67/352165167.db2.gz LEJKHZBVIWPCLB-LLVKDONJSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638346831 352165026 /nfs/dbraw/zinc/16/50/26/352165026.db2.gz LEJKHZBVIWPCLB-NSHDSACASA-N 2 0 229.324 -0.567 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638356124 352168532 /nfs/dbraw/zinc/16/85/32/352168532.db2.gz WPJWCZIJXAICJS-UHFFFAOYSA-N 2 0 228.340 -0.865 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638364828 352175485 /nfs/dbraw/zinc/17/54/85/352175485.db2.gz RXUOSBONYZRBRX-GHMZBOCLSA-N 2 0 240.351 -0.722 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638369698 352180412 /nfs/dbraw/zinc/18/04/12/352180412.db2.gz IPRJJKIERVGMAO-ATZCPNFKSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638369699 352180162 /nfs/dbraw/zinc/18/01/62/352180162.db2.gz IPRJJKIERVGMAO-IQJOONFLSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638369700 352180092 /nfs/dbraw/zinc/18/00/92/352180092.db2.gz IPRJJKIERVGMAO-NGZCFLSTSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638369701 352180213 /nfs/dbraw/zinc/18/02/13/352180213.db2.gz IPRJJKIERVGMAO-QXEWZRGKSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638370010 352181128 /nfs/dbraw/zinc/18/11/28/352181128.db2.gz KPUUWLGZCGXCNG-LURQLKTLSA-N 2 0 215.297 -0.655 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638370011 352180976 /nfs/dbraw/zinc/18/09/76/352180976.db2.gz KPUUWLGZCGXCNG-RYPBNFRJSA-N 2 0 215.297 -0.655 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638370012 352181143 /nfs/dbraw/zinc/18/11/43/352181143.db2.gz KPUUWLGZCGXCNG-UYXSQOIJSA-N 2 0 215.297 -0.655 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638370013 352181010 /nfs/dbraw/zinc/18/10/10/352181010.db2.gz KPUUWLGZCGXCNG-XSPKLOCKSA-N 2 0 215.297 -0.655 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638372109 352185028 /nfs/dbraw/zinc/18/50/28/352185028.db2.gz VATOTDUZEAGJOA-HOSYDEDBSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638372110 352185010 /nfs/dbraw/zinc/18/50/10/352185010.db2.gz VATOTDUZEAGJOA-JBLDHEPKSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638372112 352184860 /nfs/dbraw/zinc/18/48/60/352184860.db2.gz VATOTDUZEAGJOA-NHCYSSNCSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638372113 352185187 /nfs/dbraw/zinc/18/51/87/352185187.db2.gz VATOTDUZEAGJOA-UMNHJUIQSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638372237 352182482 /nfs/dbraw/zinc/18/24/82/352182482.db2.gz VWXAOPXPEMKTSX-NXEZZACHSA-N 2 0 228.340 -0.866 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638372238 352182501 /nfs/dbraw/zinc/18/25/01/352182501.db2.gz VWXAOPXPEMKTSX-UWVGGRQHSA-N 2 0 228.340 -0.866 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC000638372241 352182229 /nfs/dbraw/zinc/18/22/29/352182229.db2.gz VWXAOPXPEMKTSX-VHSXEESVSA-N 2 0 228.340 -0.866 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638372242 352182360 /nfs/dbraw/zinc/18/23/60/352182360.db2.gz VWXAOPXPEMKTSX-ZJUUUORDSA-N 2 0 228.340 -0.866 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000638372741 352183051 /nfs/dbraw/zinc/18/30/51/352183051.db2.gz YYITYRPUKRWAOZ-GMOBBJLQSA-N 2 0 243.351 -0.005 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000638372746 352182879 /nfs/dbraw/zinc/18/28/79/352182879.db2.gz YYITYRPUKRWAOZ-SVDPJWKOSA-N 2 0 243.351 -0.005 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000638372747 352183065 /nfs/dbraw/zinc/18/30/65/352183065.db2.gz YYITYRPUKRWAOZ-WDCWCFNPSA-N 2 0 243.351 -0.005 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000638372749 352182917 /nfs/dbraw/zinc/18/29/17/352182917.db2.gz YYITYRPUKRWAOZ-WYFGTUCQSA-N 2 0 243.351 -0.005 20 0 BBADRP O=C(CN1CC[NH2+]CC1)NCCC[NH2+]C1CC1 ZINC000638374028 352186616 /nfs/dbraw/zinc/18/66/16/352186616.db2.gz HMKKDWYFZCOZHR-UHFFFAOYSA-N 2 0 240.351 -0.850 20 0 BBADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000638374061 352187166 /nfs/dbraw/zinc/18/71/66/352187166.db2.gz IBJXIKOMDLDFJF-NWDGAFQWSA-N 2 0 249.314 -0.122 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638375407 352188030 /nfs/dbraw/zinc/18/80/30/352188030.db2.gz AFRPWWVUJWKVLW-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP [NH3+]CC1(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638387894 352197309 /nfs/dbraw/zinc/19/73/09/352197309.db2.gz KJTXJMCERFPXHY-UHFFFAOYSA-N 2 0 240.351 -0.863 20 0 BBADRP C[C@]1(C(=O)NCCC2(C[NH3+])CC2)C[NH2+]CCO1 ZINC000638387972 352197323 /nfs/dbraw/zinc/19/73/23/352197323.db2.gz MAIFRDXSAMPXPD-LLVKDONJSA-N 2 0 241.335 -0.390 20 0 BBADRP C[C@@]1(C(=O)NCCC2(C[NH3+])CC2)C[NH2+]CCO1 ZINC000638387974 352197081 /nfs/dbraw/zinc/19/70/81/352197081.db2.gz MAIFRDXSAMPXPD-NSHDSACASA-N 2 0 241.335 -0.390 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1C[NH3+] ZINC000638389015 352195835 /nfs/dbraw/zinc/19/58/35/352195835.db2.gz BCMBNYHFOAHSSZ-GMTAPVOTSA-N 2 0 243.351 -0.241 20 0 BBADRP CCO[C@@H]1CN(C(=O)C[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000638389101 352196620 /nfs/dbraw/zinc/19/66/20/352196620.db2.gz CBYBSQJHSAPOKQ-IVZWLZJFSA-N 2 0 229.324 -0.454 20 0 BBADRP [NH3+]CCC1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638390205 352198016 /nfs/dbraw/zinc/19/80/16/352198016.db2.gz HKMHWDLDBPAHHE-WDEREUQCSA-N 2 0 241.335 -0.310 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000638392502 352198126 /nfs/dbraw/zinc/19/81/26/352198126.db2.gz YCGSZSDMAXRCOT-GMTAPVOTSA-N 2 0 243.351 -0.193 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000638392503 352198140 /nfs/dbraw/zinc/19/81/40/352198140.db2.gz YCGSZSDMAXRCOT-HBNTYKKESA-N 2 0 243.351 -0.193 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000638394628 352200903 /nfs/dbraw/zinc/20/09/03/352200903.db2.gz XLCRULUJWBREKP-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638401871 490307710 /nfs/dbraw/zinc/30/77/10/490307710.db2.gz FIJZBQSWSAENCK-LLVKDONJSA-N 2 0 229.324 -0.439 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638401872 490307928 /nfs/dbraw/zinc/30/79/28/490307928.db2.gz FIJZBQSWSAENCK-NSHDSACASA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000638402354 352206063 /nfs/dbraw/zinc/20/60/63/352206063.db2.gz NULLKBIVMNRPDT-BXKDBHETSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000638402355 352207027 /nfs/dbraw/zinc/20/70/27/352207027.db2.gz NULLKBIVMNRPDT-CABZTGNLSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000638402356 352207109 /nfs/dbraw/zinc/20/71/09/352207109.db2.gz NULLKBIVMNRPDT-JOYOIKCWSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000638402357 352207232 /nfs/dbraw/zinc/20/72/32/352207232.db2.gz NULLKBIVMNRPDT-SKDRFNHKSA-N 2 0 243.351 -0.051 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC000638402567 352208924 /nfs/dbraw/zinc/20/89/24/352208924.db2.gz RAPPJQUIIZOALB-UHFFFAOYSA-N 2 0 228.340 -0.913 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638402780 352208740 /nfs/dbraw/zinc/20/87/40/352208740.db2.gz RVMZXQFHMZDVJY-JGVFFNPUSA-N 2 0 215.297 -0.702 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638402879 352209135 /nfs/dbraw/zinc/20/91/35/352209135.db2.gz VOXFRXMCWPXWCF-GFCCVEGCSA-N 2 0 243.351 -0.062 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638402880 352208961 /nfs/dbraw/zinc/20/89/61/352208961.db2.gz VOXFRXMCWPXWCF-LBPRGKRZSA-N 2 0 243.351 -0.062 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000638406161 352214986 /nfs/dbraw/zinc/21/49/86/352214986.db2.gz PPJHFFYVWYLDHK-IQJOONFLSA-N 2 0 227.308 -0.769 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000638406162 352214776 /nfs/dbraw/zinc/21/47/76/352214776.db2.gz PPJHFFYVWYLDHK-NGZCFLSTSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCCN(C)CCC[NH+](C)C ZINC000638407547 352213206 /nfs/dbraw/zinc/21/32/06/352213206.db2.gz BHKFICMGLQSYGM-NSHDSACASA-N 2 0 244.383 -0.277 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000638408479 352214869 /nfs/dbraw/zinc/21/48/69/352214869.db2.gz BTPIHTAWMQYABN-BDAKNGLRSA-N 2 0 227.308 -0.510 20 0 BBADRP [NH3+]C1(CNC(=O)CN2CC[NH2+]CC2)CCCC1 ZINC000638408523 352215562 /nfs/dbraw/zinc/21/55/62/352215562.db2.gz CINNHZGDLVXBIN-UHFFFAOYSA-N 2 0 240.351 -0.721 20 0 BBADRP C[C@]1(C(=O)NCC2([NH3+])CCCC2)C[NH2+]CCO1 ZINC000638409822 352216676 /nfs/dbraw/zinc/21/66/76/352216676.db2.gz QCBBIMJHGVZOKH-LLVKDONJSA-N 2 0 241.335 -0.247 20 0 BBADRP C[C@@]1(C(=O)NCC2([NH3+])CCCC2)C[NH2+]CCO1 ZINC000638409823 352216357 /nfs/dbraw/zinc/21/63/57/352216357.db2.gz QCBBIMJHGVZOKH-NSHDSACASA-N 2 0 241.335 -0.247 20 0 BBADRP C[C@@H](CCNC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+](C)C ZINC000638410133 352217858 /nfs/dbraw/zinc/21/78/58/352217858.db2.gz WFJYFXKFNUCVOY-CMPLNLGQSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CCNC(=O)[C@]1(C)C[NH2+]CCO1)[NH+](C)C ZINC000638410134 352217399 /nfs/dbraw/zinc/21/73/99/352217399.db2.gz WFJYFXKFNUCVOY-JQWIXIFHSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CCNC(=O)[C@]1(C)C[NH2+]CCO1)[NH+](C)C ZINC000638410135 352217760 /nfs/dbraw/zinc/21/77/60/352217760.db2.gz WFJYFXKFNUCVOY-PWSUYJOCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CCNC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+](C)C ZINC000638410136 352217917 /nfs/dbraw/zinc/21/79/17/352217917.db2.gz WFJYFXKFNUCVOY-ZYHUDNBSSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CCNC(=O)CN1CC[NH2+]CC1)[NH+](C)C ZINC000638410143 352217311 /nfs/dbraw/zinc/21/73/11/352217311.db2.gz WIIJCHPYPRLKEM-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP C[C@@H](CCNC(=O)CN1CC[NH2+]CC1)[NH+](C)C ZINC000638410144 352218018 /nfs/dbraw/zinc/21/80/18/352218018.db2.gz WIIJCHPYPRLKEM-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP C[C@H](CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+](C)C ZINC000638410316 352218051 /nfs/dbraw/zinc/21/80/51/352218051.db2.gz YYLYUVNERMHGEG-KXUCPTDWSA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@@H](CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+](C)C ZINC000638410317 352217781 /nfs/dbraw/zinc/21/77/81/352217781.db2.gz YYLYUVNERMHGEG-LPEHRKFASA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)C[NH2+]CCO1 ZINC000638417371 352226837 /nfs/dbraw/zinc/22/68/37/352226837.db2.gz FKFHIAKRJJELOP-CKBZRRDASA-N 2 0 239.319 -0.685 20 0 BBADRP C[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)C[NH2+]CCO1 ZINC000638417375 352226681 /nfs/dbraw/zinc/22/66/81/352226681.db2.gz FKFHIAKRJJELOP-ZYXZCXLHSA-N 2 0 239.319 -0.685 20 0 BBADRP C[C@H](C(=O)N1CC2CC1(C[NH3+])C2)[NH+](C)C ZINC000638417809 352227657 /nfs/dbraw/zinc/22/76/57/352227657.db2.gz KXACEDDPVRHUFK-FKTRJACZSA-N 2 0 211.309 -0.114 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638418199 352227335 /nfs/dbraw/zinc/22/73/35/352227335.db2.gz OCSAFXPODVBILI-BSTRBVHOSA-N 2 0 221.304 -0.016 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638418203 352227649 /nfs/dbraw/zinc/22/76/49/352227649.db2.gz OCSAFXPODVBILI-KRBLXSNTSA-N 2 0 221.304 -0.016 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638418639 352228362 /nfs/dbraw/zinc/22/83/62/352228362.db2.gz PCZGORFSHFRJNR-FKTRJACZSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638418640 352228413 /nfs/dbraw/zinc/22/84/13/352228413.db2.gz PCZGORFSHFRJNR-SILCLGDVSA-N 2 0 211.309 -0.066 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638424322 352232211 /nfs/dbraw/zinc/23/22/11/352232211.db2.gz HODLLRROAZLHPN-GARJFASQSA-N 2 0 241.335 -0.297 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638424323 352231979 /nfs/dbraw/zinc/23/19/79/352231979.db2.gz HODLLRROAZLHPN-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638426550 352234243 /nfs/dbraw/zinc/23/42/43/352234243.db2.gz DKCJDEHCXHRXIN-PWSUYJOCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638426551 352234013 /nfs/dbraw/zinc/23/40/13/352234013.db2.gz DKCJDEHCXHRXIN-ZYHUDNBSSA-N 2 0 243.351 -0.146 20 0 BBADRP O=C(CCC1C[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000638426714 352234855 /nfs/dbraw/zinc/23/48/55/352234855.db2.gz QVZITPOKGMOOCD-UHFFFAOYSA-N 2 0 223.320 -0.146 20 0 BBADRP C[C@]1(C(=O)NCC23CC(C2)C[NH2+]3)C[NH2+]CCO1 ZINC000638426792 352234678 /nfs/dbraw/zinc/23/46/78/352234678.db2.gz GENKXROLYKOMJL-CKBZRRDASA-N 2 0 239.319 -0.767 20 0 BBADRP C[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)C[NH2+]CCO1 ZINC000638426793 352234751 /nfs/dbraw/zinc/23/47/51/352234751.db2.gz GENKXROLYKOMJL-ZYXZCXLHSA-N 2 0 239.319 -0.767 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638427467 352235652 /nfs/dbraw/zinc/23/56/52/352235652.db2.gz KRZZVQLRKAMIAW-FKTRJACZSA-N 2 0 211.309 -0.147 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638427468 352235623 /nfs/dbraw/zinc/23/56/23/352235623.db2.gz KRZZVQLRKAMIAW-SILCLGDVSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H](C(=O)NCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC000638427580 352235550 /nfs/dbraw/zinc/23/55/50/352235550.db2.gz YCJPQELAHNBCCX-FKTRJACZSA-N 2 0 211.309 -0.195 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638427998 352236472 /nfs/dbraw/zinc/23/64/72/352236472.db2.gz OSXBHRYBIPPMDE-KXUCPTDWSA-N 2 0 229.324 -0.408 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638428404 352236562 /nfs/dbraw/zinc/23/65/62/352236562.db2.gz VQZYGVQECGFYQG-BSTRBVHOSA-N 2 0 221.304 -0.098 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638428405 352236444 /nfs/dbraw/zinc/23/64/44/352236444.db2.gz VQZYGVQECGFYQG-KRBLXSNTSA-N 2 0 221.304 -0.098 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)CN1CC[NH2+]CC1 ZINC000638429329 352238032 /nfs/dbraw/zinc/23/80/32/352238032.db2.gz GGSBVYCMQJILPJ-LLVKDONJSA-N 2 0 242.367 -0.619 20 0 BBADRP C[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000638430089 352237972 /nfs/dbraw/zinc/23/79/72/352237972.db2.gz HAROCPNJHOTPFF-IWSPIJDZSA-N 2 0 217.288 -0.166 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638430107 352237762 /nfs/dbraw/zinc/23/77/62/352237762.db2.gz HQYNMQWTQDCNAJ-BGZDPUMWSA-N 2 0 231.271 -1.000 20 0 BBADRP C[C@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000638430164 352237913 /nfs/dbraw/zinc/23/79/13/352237913.db2.gz KCRJCMKUSNWRNR-FXPVBKGRSA-N 2 0 245.298 -0.737 20 0 BBADRP C[C@@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000638430165 352237639 /nfs/dbraw/zinc/23/76/39/352237639.db2.gz KCRJCMKUSNWRNR-KKZNHRDASA-N 2 0 245.298 -0.737 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638430509 352238548 /nfs/dbraw/zinc/23/85/48/352238548.db2.gz LIFXCUDWRKVXHD-XLPZGREQSA-N 2 0 203.261 -0.379 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000638431011 352238788 /nfs/dbraw/zinc/23/87/88/352238788.db2.gz OQOTYCWDZOCOQF-IVZWLZJFSA-N 2 0 227.283 -0.068 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000638431019 352239355 /nfs/dbraw/zinc/23/93/55/352239355.db2.gz OQOTYCWDZOCOQF-OPRDCNLKSA-N 2 0 227.283 -0.068 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638432159 352240946 /nfs/dbraw/zinc/24/09/46/352240946.db2.gz WMHVECSXYCOXOS-DJLDLDEBSA-N 2 0 217.288 -0.118 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638432161 352240971 /nfs/dbraw/zinc/24/09/71/352240971.db2.gz WMHVECSXYCOXOS-IWSPIJDZSA-N 2 0 217.288 -0.118 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638432492 352240578 /nfs/dbraw/zinc/24/05/78/352240578.db2.gz KBIFDCLWYLCENH-PSASIEDQSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638432493 352240863 /nfs/dbraw/zinc/24/08/63/352240863.db2.gz KBIFDCLWYLCENH-SCZZXKLOSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638432494 352240743 /nfs/dbraw/zinc/24/07/43/352240743.db2.gz KBIFDCLWYLCENH-WCBMZHEXSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638432495 352240837 /nfs/dbraw/zinc/24/08/37/352240837.db2.gz KBIFDCLWYLCENH-WPRPVWTQSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638432821 352241577 /nfs/dbraw/zinc/24/15/77/352241577.db2.gz NJMBDJSRCRLOGI-CMPLNLGQSA-N 2 0 243.351 -0.131 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638432823 352241314 /nfs/dbraw/zinc/24/13/14/352241314.db2.gz NJMBDJSRCRLOGI-JQWIXIFHSA-N 2 0 243.351 -0.131 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638432825 352241477 /nfs/dbraw/zinc/24/14/77/352241477.db2.gz NJMBDJSRCRLOGI-PWSUYJOCSA-N 2 0 243.351 -0.131 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638432827 352241705 /nfs/dbraw/zinc/24/17/05/352241705.db2.gz NJMBDJSRCRLOGI-ZYHUDNBSSA-N 2 0 243.351 -0.131 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638433345 352242084 /nfs/dbraw/zinc/24/20/84/352242084.db2.gz YSYJPZOQLOOCAV-ATZCPNFKSA-N 2 0 229.324 -0.523 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638433346 352242164 /nfs/dbraw/zinc/24/21/64/352242164.db2.gz YSYJPZOQLOOCAV-IQJOONFLSA-N 2 0 229.324 -0.523 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638433347 352242188 /nfs/dbraw/zinc/24/21/88/352242188.db2.gz YSYJPZOQLOOCAV-NGZCFLSTSA-N 2 0 229.324 -0.523 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638433348 352242081 /nfs/dbraw/zinc/24/20/81/352242081.db2.gz YSYJPZOQLOOCAV-QXEWZRGKSA-N 2 0 229.324 -0.523 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638433433 352242344 /nfs/dbraw/zinc/24/23/44/352242344.db2.gz UFEWPDNOUOKPSE-GXSJLCMTSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638433434 352242208 /nfs/dbraw/zinc/24/22/08/352242208.db2.gz UFEWPDNOUOKPSE-KOLCDFICSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638433435 352242492 /nfs/dbraw/zinc/24/24/92/352242492.db2.gz UFEWPDNOUOKPSE-MWLCHTKSSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638433436 352242321 /nfs/dbraw/zinc/24/23/21/352242321.db2.gz UFEWPDNOUOKPSE-ONGXEEELSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638436866 352244681 /nfs/dbraw/zinc/24/46/81/352244681.db2.gz GVQFWPKRZAWNPK-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638436867 352244729 /nfs/dbraw/zinc/24/47/29/352244729.db2.gz GVQFWPKRZAWNPK-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@]1(NC(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000638437851 352244948 /nfs/dbraw/zinc/24/49/48/352244948.db2.gz VHKNZYDSECZHNR-GXSJLCMTSA-N 2 0 209.293 -0.098 20 0 BBADRP C[C@]1(NC(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000638437852 352245153 /nfs/dbraw/zinc/24/51/53/352245153.db2.gz VHKNZYDSECZHNR-KOLCDFICSA-N 2 0 209.293 -0.098 20 0 BBADRP C[C@@]1(NC(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000638437853 352245339 /nfs/dbraw/zinc/24/53/39/352245339.db2.gz VHKNZYDSECZHNR-MWLCHTKSSA-N 2 0 209.293 -0.098 20 0 BBADRP C[C@]1(NC(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000638437855 352245280 /nfs/dbraw/zinc/24/52/80/352245280.db2.gz VHKNZYDSECZHNR-ONGXEEELSA-N 2 0 209.293 -0.098 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638438437 352246142 /nfs/dbraw/zinc/24/61/42/352246142.db2.gz WHBGFIMNCDAEEK-JTQLQIEISA-N 2 0 237.303 -0.765 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638438441 352245768 /nfs/dbraw/zinc/24/57/68/352245768.db2.gz WHBGFIMNCDAEEK-SNVBAGLBSA-N 2 0 237.303 -0.765 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000638440031 352249717 /nfs/dbraw/zinc/24/97/17/352249717.db2.gz JEYWMRGDDDXHQE-IQJOONFLSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000638440033 352249882 /nfs/dbraw/zinc/24/98/82/352249882.db2.gz JEYWMRGDDDXHQE-NGZCFLSTSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000638440727 352246767 /nfs/dbraw/zinc/24/67/67/352246767.db2.gz VHGWZRMBVYAYLA-SECBINFHSA-N 2 0 227.308 -0.863 20 0 BBADRP C[C@@]1(NC(=O)CCC2C[NH2+]C2)CC[NH2+]C1 ZINC000638441693 352247854 /nfs/dbraw/zinc/24/78/54/352247854.db2.gz ZIPRGQPIVWREJP-LLVKDONJSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(NC(=O)CCC2C[NH2+]C2)CC[NH2+]C1 ZINC000638441694 352247221 /nfs/dbraw/zinc/24/72/21/352247221.db2.gz ZIPRGQPIVWREJP-NSHDSACASA-N 2 0 211.309 -0.146 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000638442179 352251345 /nfs/dbraw/zinc/25/13/45/352251345.db2.gz PKVKCUAISONRIY-MIZYBKAJSA-N 2 0 239.319 -0.558 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000638442180 352251575 /nfs/dbraw/zinc/25/15/75/352251575.db2.gz PKVKCUAISONRIY-MWGHHZFTSA-N 2 0 239.319 -0.558 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000638442181 352251428 /nfs/dbraw/zinc/25/14/28/352251428.db2.gz PKVKCUAISONRIY-SVDPJWKOSA-N 2 0 239.319 -0.558 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000638442182 352251598 /nfs/dbraw/zinc/25/15/98/352251598.db2.gz PKVKCUAISONRIY-WYFGTUCQSA-N 2 0 239.319 -0.558 20 0 BBADRP C[NH+](C)CCCC[NH2+]Cc1cnc(N)nc1N ZINC000638451773 352262350 /nfs/dbraw/zinc/26/23/50/352262350.db2.gz QKGKOWXQBBYSTJ-UHFFFAOYSA-N 2 0 238.339 -0.267 20 0 BBADRP CC(C)[N@H+](C)CCNCc1cnc(N)nc1N ZINC000638477578 386570196 /nfs/dbraw/zinc/57/01/96/386570196.db2.gz MTTXODRMWUVFDG-UHFFFAOYSA-N 2 0 238.339 -0.268 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC000638482697 352291515 /nfs/dbraw/zinc/29/15/15/352291515.db2.gz FCVSKNKOYNSPIC-JTQLQIEISA-N 2 0 229.324 -0.582 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC000638482698 352291451 /nfs/dbraw/zinc/29/14/51/352291451.db2.gz FCVSKNKOYNSPIC-SNVBAGLBSA-N 2 0 229.324 -0.582 20 0 BBADRP COCCN(C)CC[NH2+]C[C@]1(OC)CCOC1 ZINC000638483687 352293447 /nfs/dbraw/zinc/29/34/47/352293447.db2.gz PFSJZWXLVAEDLS-GFCCVEGCSA-N 2 0 246.351 -0.040 20 0 BBADRP COCCN(C)CC[NH2+]C[C@@]1(OC)CCOC1 ZINC000638483688 352293259 /nfs/dbraw/zinc/29/32/59/352293259.db2.gz PFSJZWXLVAEDLS-LBPRGKRZSA-N 2 0 246.351 -0.040 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638488017 352299364 /nfs/dbraw/zinc/29/93/64/352299364.db2.gz DNICFMGYAFUYCM-UWVGGRQHSA-N 2 0 229.324 -0.584 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638488018 352299099 /nfs/dbraw/zinc/29/90/99/352299099.db2.gz DNICFMGYAFUYCM-VHSXEESVSA-N 2 0 229.324 -0.584 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638490192 352299124 /nfs/dbraw/zinc/29/91/24/352299124.db2.gz UXGQBGWIMXBTNF-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638490193 352299211 /nfs/dbraw/zinc/29/92/11/352299211.db2.gz UXGQBGWIMXBTNF-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638490194 352299066 /nfs/dbraw/zinc/29/90/66/352299066.db2.gz UXGQBGWIMXBTNF-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638490195 352299202 /nfs/dbraw/zinc/29/92/02/352299202.db2.gz UXGQBGWIMXBTNF-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000638490342 352299146 /nfs/dbraw/zinc/29/91/46/352299146.db2.gz WIGPIOUSPRFISX-NXEZZACHSA-N 2 0 211.309 -0.195 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000638490343 352299264 /nfs/dbraw/zinc/29/92/64/352299264.db2.gz WIGPIOUSPRFISX-ZJUUUORDSA-N 2 0 211.309 -0.195 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638490527 411468604 /nfs/dbraw/zinc/46/86/04/411468604.db2.gz YAPSUTBXHSBCKA-KXNHARMFSA-N 2 0 237.347 -0.092 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638490528 411468867 /nfs/dbraw/zinc/46/88/67/411468867.db2.gz YAPSUTBXHSBCKA-WHOHXGKFSA-N 2 0 237.347 -0.092 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[NH2+]CCO1 ZINC000638496304 352313209 /nfs/dbraw/zinc/31/32/09/352313209.db2.gz CKTLPKPRXWUXAF-NXEZZACHSA-N 2 0 239.319 -0.624 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000638496312 352313327 /nfs/dbraw/zinc/31/33/27/352313327.db2.gz CKTLPKPRXWUXAF-UWVGGRQHSA-N 2 0 239.319 -0.624 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000638496315 352313530 /nfs/dbraw/zinc/31/35/30/352313530.db2.gz CKTLPKPRXWUXAF-VHSXEESVSA-N 2 0 239.319 -0.624 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1C[NH2+]CCO1 ZINC000638496318 352313172 /nfs/dbraw/zinc/31/31/72/352313172.db2.gz CKTLPKPRXWUXAF-ZJUUUORDSA-N 2 0 239.319 -0.624 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638496370 352313575 /nfs/dbraw/zinc/31/35/75/352313575.db2.gz CQRVHTWGDBEIQN-JTQLQIEISA-N 2 0 241.335 -0.377 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638496371 352313638 /nfs/dbraw/zinc/31/36/38/352313638.db2.gz CQRVHTWGDBEIQN-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000638498884 352320998 /nfs/dbraw/zinc/32/09/98/352320998.db2.gz MJAKWTNXTHHDCZ-MRVPVSSYSA-N 2 0 209.293 -0.122 20 0 BBADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000638498892 352321096 /nfs/dbraw/zinc/32/10/96/352321096.db2.gz MJAKWTNXTHHDCZ-QMMMGPOBSA-N 2 0 209.293 -0.122 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499322 352319299 /nfs/dbraw/zinc/31/92/99/352319299.db2.gz OYMKSRGSCPWYMU-SECBINFHSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499324 352319266 /nfs/dbraw/zinc/31/92/66/352319266.db2.gz OYMKSRGSCPWYMU-VIFPVBQESA-N 2 0 227.308 -0.638 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[NH2+]1 ZINC000638505778 352327926 /nfs/dbraw/zinc/32/79/26/352327926.db2.gz OCQWPWXHVPNZSV-BDAKNGLRSA-N 2 0 209.293 -0.251 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[NH2+]1 ZINC000638505779 352327421 /nfs/dbraw/zinc/32/74/21/352327421.db2.gz OCQWPWXHVPNZSV-RKDXNWHRSA-N 2 0 209.293 -0.251 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507326 352328290 /nfs/dbraw/zinc/32/82/90/352328290.db2.gz HAXCUVFXIBYHEA-DTWKUNHWSA-N 2 0 211.309 -0.005 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507327 352328653 /nfs/dbraw/zinc/32/86/53/352328653.db2.gz HAXCUVFXIBYHEA-IUCAKERBSA-N 2 0 211.309 -0.005 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638507899 411470807 /nfs/dbraw/zinc/47/08/07/411470807.db2.gz JCYMEPYTVYVISP-YTWAJWBKSA-N 2 0 235.331 -0.147 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638507900 411470666 /nfs/dbraw/zinc/47/06/66/411470666.db2.gz JCYMEPYTVYVISP-ZRUFSTJUSA-N 2 0 235.331 -0.147 20 0 BBADRP C[NH2+]CCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638508190 352330128 /nfs/dbraw/zinc/33/01/28/352330128.db2.gz LKMBVLBMSKKGLH-SECBINFHSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638508191 352329988 /nfs/dbraw/zinc/32/99/88/352329988.db2.gz LKMBVLBMSKKGLH-VIFPVBQESA-N 2 0 211.309 -0.003 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509073 386742679 /nfs/dbraw/zinc/74/26/79/386742679.db2.gz QZSUWNLPUWEZPU-NXEZZACHSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509075 386742548 /nfs/dbraw/zinc/74/25/48/386742548.db2.gz QZSUWNLPUWEZPU-UWVGGRQHSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509077 386741135 /nfs/dbraw/zinc/74/11/35/386741135.db2.gz QZSUWNLPUWEZPU-VHSXEESVSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509079 352331979 /nfs/dbraw/zinc/33/19/79/352331979.db2.gz QZSUWNLPUWEZPU-ZJUUUORDSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509387 352332393 /nfs/dbraw/zinc/33/23/93/352332393.db2.gz SANXVAMNLHWFHC-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509389 352332009 /nfs/dbraw/zinc/33/20/09/352332009.db2.gz SANXVAMNLHWFHC-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509390 352332286 /nfs/dbraw/zinc/33/22/86/352332286.db2.gz SANXVAMNLHWFHC-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509392 352332055 /nfs/dbraw/zinc/33/20/55/352332055.db2.gz SANXVAMNLHWFHC-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638509848 386747922 /nfs/dbraw/zinc/74/79/22/386747922.db2.gz XGEYUOKMCXOUJR-PSASIEDQSA-N 2 0 224.308 -0.648 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638509851 386749437 /nfs/dbraw/zinc/74/94/37/386749437.db2.gz XGEYUOKMCXOUJR-SCZZXKLOSA-N 2 0 224.308 -0.648 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638509852 386749833 /nfs/dbraw/zinc/74/98/33/386749833.db2.gz XGEYUOKMCXOUJR-WCBMZHEXSA-N 2 0 224.308 -0.648 20 0 BBADRP O=C(NC1C[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638509853 386748361 /nfs/dbraw/zinc/74/83/61/386748361.db2.gz XGEYUOKMCXOUJR-WPRPVWTQSA-N 2 0 224.308 -0.648 20 0 BBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC1C[NH2+]C1 ZINC000638509854 386747586 /nfs/dbraw/zinc/74/75/86/386747586.db2.gz XPFNDUIMQMOLQT-REMFIFCHSA-N 2 0 238.335 -0.227 20 0 BBADRP CC1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[NH2+]C1 ZINC000638510629 386758191 /nfs/dbraw/zinc/75/81/91/386758191.db2.gz KELFHYZCFALIKW-SECBINFHSA-N 2 0 223.320 -0.003 20 0 BBADRP CC1(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[NH2+]C1 ZINC000638510631 386758296 /nfs/dbraw/zinc/75/82/96/386758296.db2.gz KELFHYZCFALIKW-VIFPVBQESA-N 2 0 223.320 -0.003 20 0 BBADRP C[NH+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638510993 352335606 /nfs/dbraw/zinc/33/56/06/352335606.db2.gz YVFJZRMXWPWPCL-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+](C)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638510994 352335749 /nfs/dbraw/zinc/33/57/49/352335749.db2.gz YVFJZRMXWPWPCL-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638512701 352338343 /nfs/dbraw/zinc/33/83/43/352338343.db2.gz JJKBULLSYWJNNV-JTQLQIEISA-N 2 0 215.297 -0.828 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638512702 352338285 /nfs/dbraw/zinc/33/82/85/352338285.db2.gz JJKBULLSYWJNNV-SNVBAGLBSA-N 2 0 215.297 -0.828 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638513197 352337112 /nfs/dbraw/zinc/33/71/12/352337112.db2.gz OGCHNLMBOWOYDN-LLVKDONJSA-N 2 0 229.324 -0.451 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638513198 352336894 /nfs/dbraw/zinc/33/68/94/352336894.db2.gz OGCHNLMBOWOYDN-NSHDSACASA-N 2 0 229.324 -0.451 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])COC(C)C ZINC000638513233 352337163 /nfs/dbraw/zinc/33/71/63/352337163.db2.gz OTAOSLGOJVZOLG-VIFPVBQESA-N 2 0 217.313 -0.454 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638513277 352336912 /nfs/dbraw/zinc/33/69/12/352336912.db2.gz PMHJULZCNDJKDM-GFCCVEGCSA-N 2 0 243.351 -0.048 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638513279 352336886 /nfs/dbraw/zinc/33/68/86/352336886.db2.gz PMHJULZCNDJKDM-LBPRGKRZSA-N 2 0 243.351 -0.048 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638513759 352337719 /nfs/dbraw/zinc/33/77/19/352337719.db2.gz VIEZPFCMGUVIBR-GXSJLCMTSA-N 2 0 229.324 -0.439 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638513762 352337691 /nfs/dbraw/zinc/33/76/91/352337691.db2.gz VIEZPFCMGUVIBR-KOLCDFICSA-N 2 0 229.324 -0.439 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638513763 352337708 /nfs/dbraw/zinc/33/77/08/352337708.db2.gz VIEZPFCMGUVIBR-MWLCHTKSSA-N 2 0 229.324 -0.439 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638513765 352337686 /nfs/dbraw/zinc/33/76/86/352337686.db2.gz VIEZPFCMGUVIBR-ONGXEEELSA-N 2 0 229.324 -0.439 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638513874 352339665 /nfs/dbraw/zinc/33/96/65/352339665.db2.gz OMBXMZVCLSAUGW-BBBLOLIVSA-N 2 0 239.319 -0.497 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638513875 352339755 /nfs/dbraw/zinc/33/97/55/352339755.db2.gz OMBXMZVCLSAUGW-UTLUCORTSA-N 2 0 239.319 -0.497 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638514026 386779297 /nfs/dbraw/zinc/77/92/97/386779297.db2.gz ZYUPUJFJMRJTGH-BDAKNGLRSA-N 2 0 215.297 -0.843 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638514027 386779619 /nfs/dbraw/zinc/77/96/19/386779619.db2.gz ZYUPUJFJMRJTGH-DTWKUNHWSA-N 2 0 215.297 -0.843 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638514028 386780390 /nfs/dbraw/zinc/78/03/90/386780390.db2.gz ZYUPUJFJMRJTGH-IUCAKERBSA-N 2 0 215.297 -0.843 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638514029 386779028 /nfs/dbraw/zinc/77/90/28/386779028.db2.gz ZYUPUJFJMRJTGH-RKDXNWHRSA-N 2 0 215.297 -0.843 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638516092 352343796 /nfs/dbraw/zinc/34/37/96/352343796.db2.gz NLOQWFHGNJDJSH-ONGXEEELSA-N 2 0 227.308 -0.970 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])CC(F)F ZINC000638516365 352347060 /nfs/dbraw/zinc/34/70/60/352347060.db2.gz AOXJCTHOYQDTIG-LURJTMIESA-N 2 0 209.240 -0.224 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])CC(F)F ZINC000638516367 352347045 /nfs/dbraw/zinc/34/70/45/352347045.db2.gz AOXJCTHOYQDTIG-ZCFIWIBFSA-N 2 0 209.240 -0.224 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000638516385 352344057 /nfs/dbraw/zinc/34/40/57/352344057.db2.gz RNASTHOAZVXZIJ-LLVKDONJSA-N 2 0 229.324 -0.580 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000638516387 352343934 /nfs/dbraw/zinc/34/39/34/352343934.db2.gz RNASTHOAZVXZIJ-NSHDSACASA-N 2 0 229.324 -0.580 20 0 BBADRP CCN(CC[NH3+])C(=O)C[C@H](C[NH3+])OC ZINC000638516483 352344842 /nfs/dbraw/zinc/34/48/42/352344842.db2.gz CGYOCOZKOOAIMA-MRVPVSSYSA-N 2 0 203.286 -0.843 20 0 BBADRP CCN(CC[NH3+])C(=O)C[C@@H](C[NH3+])OC ZINC000638516494 352344501 /nfs/dbraw/zinc/34/45/01/352344501.db2.gz CGYOCOZKOOAIMA-QMMMGPOBSA-N 2 0 203.286 -0.843 20 0 BBADRP CCN(CC[NH3+])C(=O)COC1(C)C[NH2+]C1 ZINC000638516545 352345044 /nfs/dbraw/zinc/34/50/44/352345044.db2.gz DLOUARHKWLDGHR-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP CCN(CC[NH3+])C(=O)c1c[nH+]ccc1N ZINC000638516746 352345807 /nfs/dbraw/zinc/34/58/07/352345807.db2.gz HEHQKWTXVDPSBT-UHFFFAOYSA-N 2 0 208.265 -0.085 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638517030 352346069 /nfs/dbraw/zinc/34/60/69/352346069.db2.gz KZYKYKOKOJTZCC-GXSJLCMTSA-N 2 0 211.309 -0.207 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638517035 352346394 /nfs/dbraw/zinc/34/63/94/352346394.db2.gz KZYKYKOKOJTZCC-KOLCDFICSA-N 2 0 211.309 -0.207 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638517036 352346106 /nfs/dbraw/zinc/34/61/06/352346106.db2.gz KZYKYKOKOJTZCC-MWLCHTKSSA-N 2 0 211.309 -0.207 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638517037 352346118 /nfs/dbraw/zinc/34/61/18/352346118.db2.gz KZYKYKOKOJTZCC-ONGXEEELSA-N 2 0 211.309 -0.207 20 0 BBADRP CCN(CC[NH3+])C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638517162 352345766 /nfs/dbraw/zinc/34/57/66/352345766.db2.gz NNYAWTALXSSMPX-SECBINFHSA-N 2 0 231.365 -0.111 20 0 BBADRP CCN(CC[NH3+])C(=O)C[C@H]1CSCC[NH2+]1 ZINC000638517163 352345755 /nfs/dbraw/zinc/34/57/55/352345755.db2.gz NNYAWTALXSSMPX-VIFPVBQESA-N 2 0 231.365 -0.111 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000638517202 352345659 /nfs/dbraw/zinc/34/56/59/352345659.db2.gz OMBQXQAOEYRTKN-LLVKDONJSA-N 2 0 242.367 -0.571 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H](C)N1CCN(C)CC1 ZINC000638517203 352345799 /nfs/dbraw/zinc/34/57/99/352345799.db2.gz OMBQXQAOEYRTKN-NSHDSACASA-N 2 0 242.367 -0.571 20 0 BBADRP CCN(CC[NH3+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638517292 386807907 /nfs/dbraw/zinc/80/79/07/386807907.db2.gz QWNBSMICUUEMHW-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP CCN(CC[NH3+])C(=O)C[C@H]1COCC[NH2+]1 ZINC000638517293 386805995 /nfs/dbraw/zinc/80/59/95/386805995.db2.gz QWNBSMICUUEMHW-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP CCN(CC[NH3+])C(=O)CN1CC[NH+](CC)CC1 ZINC000638517549 352348122 /nfs/dbraw/zinc/34/81/22/352348122.db2.gz VPUYDABCWJMDEI-UHFFFAOYSA-N 2 0 242.367 -0.569 20 0 BBADRP CCN(CC[NH3+])C(=O)C1(COC)CC[NH2+]CC1 ZINC000638517550 352348032 /nfs/dbraw/zinc/34/80/32/352348032.db2.gz VSCMZDMRJIBEDD-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CCN(CC[NH3+])C(=O)COC1CC[NH2+]CC1 ZINC000638517578 352348151 /nfs/dbraw/zinc/34/81/51/352348151.db2.gz ANSHTFQPXBAJHC-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP CCN(CC[NH3+])C(=O)CCOC1C[NH2+]C1 ZINC000638517609 352348231 /nfs/dbraw/zinc/34/82/31/352348231.db2.gz XFVXEIYQBONFCW-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP CCN(CC[NH3+])C(=O)C[NH2+]CCOC ZINC000638522627 352355383 /nfs/dbraw/zinc/35/53/83/352355383.db2.gz LTUUJDZBKRIKDP-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP CCN(CC[NH3+])C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638522965 352357417 /nfs/dbraw/zinc/35/74/17/352357417.db2.gz WVUGKHIYLPGWTJ-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP CCN(CC[NH3+])C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638522966 352357176 /nfs/dbraw/zinc/35/71/76/352357176.db2.gz WVUGKHIYLPGWTJ-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP CCN(CC[NH3+])C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638522973 352357146 /nfs/dbraw/zinc/35/71/46/352357146.db2.gz XLQCISBQJWSJFB-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CCN(CC[NH3+])C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638522974 352357058 /nfs/dbraw/zinc/35/70/58/352357058.db2.gz XLQCISBQJWSJFB-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CCN(CC[NH3+])C(=O)C1(OC)CC[NH2+]CC1 ZINC000638522984 352357587 /nfs/dbraw/zinc/35/75/87/352357587.db2.gz XZUBZNYUAYPPLQ-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528261 352362861 /nfs/dbraw/zinc/36/28/61/352362861.db2.gz BVZZPYAMXFXIDQ-GHMZBOCLSA-N 2 0 242.367 -0.524 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528262 352362681 /nfs/dbraw/zinc/36/26/81/352362681.db2.gz BVZZPYAMXFXIDQ-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638528498 352362044 /nfs/dbraw/zinc/36/20/44/352362044.db2.gz JRBJXFKDAQSNED-DBIOUOCHSA-N 2 0 223.320 -0.053 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638529056 352361624 /nfs/dbraw/zinc/36/16/24/352361624.db2.gz XKJANUPWFOWMNK-ZNSHCXBVSA-N 2 0 223.320 -0.338 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC000638534409 385789492 /nfs/dbraw/zinc/78/94/92/385789492.db2.gz AOMVVNJGEQAJMY-UWVGGRQHSA-N 2 0 243.351 -0.016 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC000638534411 385790485 /nfs/dbraw/zinc/79/04/85/385790485.db2.gz AOMVVNJGEQAJMY-ZJUUUORDSA-N 2 0 243.351 -0.016 20 0 BBADRP [NH3+]C1(CNC(=O)C[NH2+]CC2CC2)CCOCC1 ZINC000638534451 385789169 /nfs/dbraw/zinc/78/91/69/385789169.db2.gz CETLGRJGGXRFPZ-UHFFFAOYSA-N 2 0 241.335 -0.390 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC000638534462 352365772 /nfs/dbraw/zinc/36/57/72/352365772.db2.gz CQZKRUQGUJIDOM-SECBINFHSA-N 2 0 229.324 -0.406 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC000638534463 352366135 /nfs/dbraw/zinc/36/61/35/352366135.db2.gz CQZKRUQGUJIDOM-VIFPVBQESA-N 2 0 229.324 -0.406 20 0 BBADRP [NH3+]C1(C(=O)NCC2([NH3+])CCOCC2)CCCC1 ZINC000638534673 352365925 /nfs/dbraw/zinc/36/59/25/352365925.db2.gz GABLBMHKQVFSSF-UHFFFAOYSA-N 2 0 241.335 -0.118 20 0 BBADRP CC(C)[NH2+]CCC(=O)NCC1([NH3+])CCOCC1 ZINC000638534920 352366548 /nfs/dbraw/zinc/36/65/48/352366548.db2.gz IJUYQXXKLSWMST-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC000638535471 352367329 /nfs/dbraw/zinc/36/73/29/352367329.db2.gz NXFDTFWCGPOULK-JTQLQIEISA-N 2 0 243.351 -0.016 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638535761 352367374 /nfs/dbraw/zinc/36/73/74/352367374.db2.gz FHGONDKZKCZIDW-MNOVXSKESA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC000638535910 352367014 /nfs/dbraw/zinc/36/70/14/352367014.db2.gz TTWBNJDHBQSHME-SECBINFHSA-N 2 0 243.351 -0.016 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000638535989 352367246 /nfs/dbraw/zinc/36/72/46/352367246.db2.gz UPCXULIHFWJEIA-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(CNC(=O)[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000638535990 352366870 /nfs/dbraw/zinc/36/68/70/352366870.db2.gz UPCXULIHFWJEIA-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638537306 398120326 /nfs/dbraw/zinc/12/03/26/398120326.db2.gz YOFVHGXHZUERNP-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638537309 398120282 /nfs/dbraw/zinc/12/02/82/398120282.db2.gz YOFVHGXHZUERNP-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638537310 398120552 /nfs/dbraw/zinc/12/05/52/398120552.db2.gz YOFVHGXHZUERNP-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638537312 398120772 /nfs/dbraw/zinc/12/07/72/398120772.db2.gz YOFVHGXHZUERNP-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH3+])CCOCC1 ZINC000638539535 385816767 /nfs/dbraw/zinc/81/67/67/385816767.db2.gz BLVWJQRYUMPYOQ-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCOCC1)C1CCC1 ZINC000638539834 398124433 /nfs/dbraw/zinc/12/44/33/398124433.db2.gz JGHCASNIKDJCFX-JTQLQIEISA-N 2 0 241.335 -0.262 20 0 BBADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCOCC1)C1CCC1 ZINC000638539835 398124512 /nfs/dbraw/zinc/12/45/12/398124512.db2.gz JGHCASNIKDJCFX-SNVBAGLBSA-N 2 0 241.335 -0.262 20 0 BBADRP CC[NH+](CC)CC(=O)NCC1([NH3+])CCOCC1 ZINC000638539898 385818084 /nfs/dbraw/zinc/81/80/84/385818084.db2.gz IUCIWSKEKLKQPB-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@]1(C(=O)NCC2([NH3+])CCOCC2)CCC[NH2+]1 ZINC000638540258 385819692 /nfs/dbraw/zinc/81/96/92/385819692.db2.gz LJNQSOLAFRGXRA-LLVKDONJSA-N 2 0 241.335 -0.247 20 0 BBADRP C[C@@]1(C(=O)NCC2([NH3+])CCOCC2)CCC[NH2+]1 ZINC000638540259 385820328 /nfs/dbraw/zinc/82/03/28/385820328.db2.gz LJNQSOLAFRGXRA-NSHDSACASA-N 2 0 241.335 -0.247 20 0 BBADRP CC1(C(=O)NCC2([NH3+])CCOCC2)C[NH2+]C1 ZINC000638540367 385820084 /nfs/dbraw/zinc/82/00/84/385820084.db2.gz PVGFUYXEENISGK-UHFFFAOYSA-N 2 0 227.308 -0.780 20 0 BBADRP CCC[N@H+](C)CC(=O)NCC1([NH3+])CCOCC1 ZINC000638540627 352371118 /nfs/dbraw/zinc/37/11/18/352371118.db2.gz PUDRXWKIPJPNOB-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CC[C@@H](C(=O)NCC1([NH3+])CCOCC1)[NH+](C)C ZINC000638540886 398123621 /nfs/dbraw/zinc/12/36/21/398123621.db2.gz MYTVFMXBXFQYRT-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@H](C(=O)NCC1([NH3+])CCOCC1)[NH+](C)C ZINC000638540887 385814868 /nfs/dbraw/zinc/81/48/68/385814868.db2.gz MYTVFMXBXFQYRT-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638541749 352372212 /nfs/dbraw/zinc/37/22/12/352372212.db2.gz WBWZGLKDRQEJRL-SECBINFHSA-N 2 0 241.335 -0.392 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC000638541750 352372087 /nfs/dbraw/zinc/37/20/87/352372087.db2.gz WBWZGLKDRQEJRL-VIFPVBQESA-N 2 0 241.335 -0.392 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCOCC1 ZINC000638542121 352371973 /nfs/dbraw/zinc/37/19/73/352371973.db2.gz ZPPOLLRHOXCHQN-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NCC1([NH3+])CCOCC1 ZINC000638542122 352372119 /nfs/dbraw/zinc/37/21/19/352372119.db2.gz ZPPOLLRHOXCHQN-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](C(=O)NCC1([NH3+])CCOCC1)[NH+](C)C ZINC000638542272 352372630 /nfs/dbraw/zinc/37/26/30/352372630.db2.gz RLBJHRXUWKHMHU-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000638567062 352394058 /nfs/dbraw/zinc/39/40/58/352394058.db2.gz IQDHDKRKBRAHAL-AEJSXWLSSA-N 2 0 211.309 -0.005 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000638567063 352393821 /nfs/dbraw/zinc/39/38/21/352393821.db2.gz IQDHDKRKBRAHAL-IVZWLZJFSA-N 2 0 211.309 -0.005 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH2+]CCOC ZINC000638567500 352391939 /nfs/dbraw/zinc/39/19/39/352391939.db2.gz NGROWJDHHDVAPV-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)COCC[NH3+] ZINC000638567929 352395650 /nfs/dbraw/zinc/39/56/50/352395650.db2.gz SWLZBDDFRCDXEJ-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000638567991 352395735 /nfs/dbraw/zinc/39/57/35/352395735.db2.gz USHVILUEQIMUGR-GARJFASQSA-N 2 0 241.335 -0.378 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638567992 352395591 /nfs/dbraw/zinc/39/55/91/352395591.db2.gz USHVILUEQIMUGR-OUAUKWLOSA-N 2 0 241.335 -0.378 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000638568170 385958020 /nfs/dbraw/zinc/95/80/20/385958020.db2.gz VZWQSRXQECZTBM-AEJSXWLSSA-N 2 0 227.308 -0.769 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000638568171 385957627 /nfs/dbraw/zinc/95/76/27/385957627.db2.gz VZWQSRXQECZTBM-IVZWLZJFSA-N 2 0 227.308 -0.769 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H](C[NH3+])OC ZINC000638571834 566388516 /nfs/dbraw/zinc/38/85/16/566388516.db2.gz ADXDETOSRJXOSM-KXUCPTDWSA-N 2 0 229.324 -0.393 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H](C[NH3+])OC ZINC000638571836 566389067 /nfs/dbraw/zinc/38/90/67/566389067.db2.gz ADXDETOSRJXOSM-LPEHRKFASA-N 2 0 229.324 -0.393 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638572018 352400390 /nfs/dbraw/zinc/40/03/90/352400390.db2.gz DGNPJSBEUKWTAB-QGKZMRNZSA-N 2 0 223.320 -0.007 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000638572030 352400421 /nfs/dbraw/zinc/40/04/21/352400421.db2.gz DYHHEQNVIWKWBL-VHSXEESVSA-N 2 0 241.335 -0.378 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000638572596 352401343 /nfs/dbraw/zinc/40/13/43/352401343.db2.gz QEQNAPQQTFABCU-GARJFASQSA-N 2 0 241.335 -0.378 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000638572597 352401400 /nfs/dbraw/zinc/40/14/00/352401400.db2.gz QEQNAPQQTFABCU-OUAUKWLOSA-N 2 0 241.335 -0.378 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000638572646 352401177 /nfs/dbraw/zinc/40/11/77/352401177.db2.gz SFOWFUUXOCQUHW-WDEREUQCSA-N 2 0 241.335 -0.378 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000638572728 352401187 /nfs/dbraw/zinc/40/11/87/352401187.db2.gz WMDVAIUREIVWRP-VHSXEESVSA-N 2 0 211.309 -0.005 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638572776 352401274 /nfs/dbraw/zinc/40/12/74/352401274.db2.gz YANMBDJCDLKSEA-OGBGREFGSA-N 2 0 223.320 -0.292 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000638573393 352399658 /nfs/dbraw/zinc/39/96/58/352399658.db2.gz CQLFYEBUCVDVEX-GARJFASQSA-N 2 0 242.367 -0.478 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000638573394 352399555 /nfs/dbraw/zinc/39/95/55/352399555.db2.gz CQLFYEBUCVDVEX-OUAUKWLOSA-N 2 0 242.367 -0.478 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638573405 352399578 /nfs/dbraw/zinc/39/95/78/352399578.db2.gz DYFCEQRZZFJVJL-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H](C)[NH+](C)C ZINC000638573573 352399604 /nfs/dbraw/zinc/39/96/04/352399604.db2.gz HIAHFVYYZBTKOK-SECBINFHSA-N 2 0 217.313 -0.711 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H](C)[NH+](C)C ZINC000638573574 352399584 /nfs/dbraw/zinc/39/95/84/352399584.db2.gz HIAHFVYYZBTKOK-VIFPVBQESA-N 2 0 217.313 -0.711 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638573876 352404116 /nfs/dbraw/zinc/40/41/16/352404116.db2.gz LCZAKZURNNFFRU-QCLAVDOMSA-N 2 0 211.309 -0.020 20 0 BBADRP CC[C@@H](C(=O)NCCOCC[NH2+]C)[NH+](C)C ZINC000638574409 352404585 /nfs/dbraw/zinc/40/45/85/352404585.db2.gz DWNXGXBQOIPPMY-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CC[C@H](C(=O)NCCOCC[NH2+]C)[NH+](C)C ZINC000638574411 352404451 /nfs/dbraw/zinc/40/44/51/352404451.db2.gz DWNXGXBQOIPPMY-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP C[NH2+]CCOCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000638574445 352404415 /nfs/dbraw/zinc/40/44/15/352404415.db2.gz SPRKHDOQMGBTCQ-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000638574843 352405256 /nfs/dbraw/zinc/40/52/56/352405256.db2.gz VRDVERZVFQCRKH-DTWKUNHWSA-N 2 0 211.309 -0.147 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCCOCC[NH2+]C ZINC000638575118 352402208 /nfs/dbraw/zinc/40/22/08/352402208.db2.gz KXTPDLYLCMGPAB-SECBINFHSA-N 2 0 217.313 -0.663 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCCOCC[NH2+]C ZINC000638575119 352402337 /nfs/dbraw/zinc/40/23/37/352402337.db2.gz KXTPDLYLCMGPAB-VIFPVBQESA-N 2 0 217.313 -0.663 20 0 BBADRP C[NH2+]CCOCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638575166 352402283 /nfs/dbraw/zinc/40/22/83/352402283.db2.gz MDCUYFZSIJRVCN-JTQLQIEISA-N 2 0 227.308 -0.614 20 0 BBADRP C[NH2+]CCOCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638575167 352401954 /nfs/dbraw/zinc/40/19/54/352401954.db2.gz MDCUYFZSIJRVCN-SNVBAGLBSA-N 2 0 227.308 -0.614 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000638575249 352402173 /nfs/dbraw/zinc/40/21/73/352402173.db2.gz NWFQNHMVPVXRRB-JTQLQIEISA-N 2 0 247.339 -0.909 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638575266 352402355 /nfs/dbraw/zinc/40/23/55/352402355.db2.gz DYKRDOMHBSRBSV-LMLFDSFASA-N 2 0 241.335 -0.393 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638575268 352402155 /nfs/dbraw/zinc/40/21/55/352402155.db2.gz DYKRDOMHBSRBSV-MMWGEVLESA-N 2 0 241.335 -0.393 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638575270 352402409 /nfs/dbraw/zinc/40/24/09/352402409.db2.gz DYKRDOMHBSRBSV-UKKRHICBSA-N 2 0 241.335 -0.393 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638575271 352402080 /nfs/dbraw/zinc/40/20/80/352402080.db2.gz DYKRDOMHBSRBSV-YTWAJWBKSA-N 2 0 241.335 -0.393 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NCCOCC[NH2+]C ZINC000638575274 352401981 /nfs/dbraw/zinc/40/19/81/352401981.db2.gz AGZQHAKFYRSROA-SECBINFHSA-N 2 0 217.313 -0.663 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NCCOCC[NH2+]C ZINC000638575275 352402150 /nfs/dbraw/zinc/40/21/50/352402150.db2.gz AGZQHAKFYRSROA-VIFPVBQESA-N 2 0 217.313 -0.663 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000638575341 352402001 /nfs/dbraw/zinc/40/20/01/352402001.db2.gz GPZBZSYAIQYMLN-GARJFASQSA-N 2 0 243.351 -0.005 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638575551 352402325 /nfs/dbraw/zinc/40/23/25/352402325.db2.gz JEPPLKCIJWTZHW-VHSXEESVSA-N 2 0 249.318 -0.194 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[C@H](C)[NH3+] ZINC000638575610 352403275 /nfs/dbraw/zinc/40/32/75/352403275.db2.gz QCEARGZQCVMPIV-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[NH2+]C(C)C ZINC000638575628 352403014 /nfs/dbraw/zinc/40/30/14/352403014.db2.gz GYODNKAHXUYSKM-UHFFFAOYSA-N 2 0 217.313 -0.663 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638575976 352402864 /nfs/dbraw/zinc/40/28/64/352402864.db2.gz VBEHUXYFJZAWIL-KYZUINATSA-N 2 0 215.297 -0.924 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC1([NH3+])CC1 ZINC000638575982 352402860 /nfs/dbraw/zinc/40/28/60/352402860.db2.gz VCSRTPWEKSAMHW-UHFFFAOYSA-N 2 0 215.297 -0.780 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638575988 352403054 /nfs/dbraw/zinc/40/30/54/352403054.db2.gz LCZAKZURNNFFRU-AATLWQCWSA-N 2 0 211.309 -0.020 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638576005 352404131 /nfs/dbraw/zinc/40/41/31/352404131.db2.gz LPJLXOUIYCZSGJ-JTQLQIEISA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638576006 352404061 /nfs/dbraw/zinc/40/40/61/352404061.db2.gz LPJLXOUIYCZSGJ-SNVBAGLBSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC[NH2+]C1CC1 ZINC000638576080 385998813 /nfs/dbraw/zinc/99/88/13/385998813.db2.gz MLMVVNMHYWNCPF-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638576208 352406925 /nfs/dbraw/zinc/40/69/25/352406925.db2.gz OFMPBHHWESHMQT-HOSYDEDBSA-N 2 0 241.335 -0.378 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638576209 352406911 /nfs/dbraw/zinc/40/69/11/352406911.db2.gz OFMPBHHWESHMQT-UMNHJUIQSA-N 2 0 241.335 -0.378 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638576507 352407673 /nfs/dbraw/zinc/40/76/73/352407673.db2.gz NZDCHIIKEVVUEB-LLVKDONJSA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638576508 352407712 /nfs/dbraw/zinc/40/77/12/352407712.db2.gz NZDCHIIKEVVUEB-NSHDSACASA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC1(C[NH3+])CC1 ZINC000638576666 352407466 /nfs/dbraw/zinc/40/74/66/352407466.db2.gz PTJPGWJTHOMWBS-UHFFFAOYSA-N 2 0 229.324 -0.532 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000638576756 352407507 /nfs/dbraw/zinc/40/75/07/352407507.db2.gz IAISULRXDWALOT-GHMZBOCLSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000638576757 352407629 /nfs/dbraw/zinc/40/76/29/352407629.db2.gz IAISULRXDWALOT-MNOVXSKESA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000638576758 352407517 /nfs/dbraw/zinc/40/75/17/352407517.db2.gz IAISULRXDWALOT-QWRGUYRKSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000638576759 352407573 /nfs/dbraw/zinc/40/75/73/352407573.db2.gz IAISULRXDWALOT-WDEREUQCSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000638576880 352407745 /nfs/dbraw/zinc/40/77/45/352407745.db2.gz ROBBEONYGCQBRZ-GHMZBOCLSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000638577110 352408451 /nfs/dbraw/zinc/40/84/51/352408451.db2.gz MAKDKPFOJGQONU-JTQLQIEISA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000638577111 352408143 /nfs/dbraw/zinc/40/81/43/352408143.db2.gz MAKDKPFOJGQONU-SNVBAGLBSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638577151 352408210 /nfs/dbraw/zinc/40/82/10/352408210.db2.gz VBEHUXYFJZAWIL-DTORHVGOSA-N 2 0 215.297 -0.924 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638577157 352408093 /nfs/dbraw/zinc/40/80/93/352408093.db2.gz VECFPSSMLZFKKJ-ZJUUUORDSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638577427 352405830 /nfs/dbraw/zinc/40/58/30/352405830.db2.gz ZKEMXIGHPKUQJD-WDEREUQCSA-N 2 0 240.351 -0.852 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000638577479 352405880 /nfs/dbraw/zinc/40/58/80/352405880.db2.gz ZLSXYPALKBTLQL-GHMZBOCLSA-N 2 0 245.367 -0.042 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000638577480 352406007 /nfs/dbraw/zinc/40/60/07/352406007.db2.gz ZLSXYPALKBTLQL-MNOVXSKESA-N 2 0 245.367 -0.042 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000638577481 352405836 /nfs/dbraw/zinc/40/58/36/352405836.db2.gz ZLSXYPALKBTLQL-QWRGUYRKSA-N 2 0 245.367 -0.042 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000638577482 352405957 /nfs/dbraw/zinc/40/59/57/352405957.db2.gz ZLSXYPALKBTLQL-WDEREUQCSA-N 2 0 245.367 -0.042 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638577507 352405886 /nfs/dbraw/zinc/40/58/86/352405886.db2.gz ZZJQCXJYIOKLKX-WDEREUQCSA-N 2 0 243.351 -0.144 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000638577913 352405814 /nfs/dbraw/zinc/40/58/14/352405814.db2.gz DYFCEQRZZFJVJL-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NCCOCC[NH2+]C ZINC000638578107 352406875 /nfs/dbraw/zinc/40/68/75/352406875.db2.gz AMISXRYNRNMBQW-JTQLQIEISA-N 2 0 231.340 -0.273 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NCCOCC[NH2+]C ZINC000638578108 352406745 /nfs/dbraw/zinc/40/67/45/352406745.db2.gz AMISXRYNRNMBQW-SNVBAGLBSA-N 2 0 231.340 -0.273 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCOCC[NH2+]C ZINC000638578144 352407048 /nfs/dbraw/zinc/40/70/48/352407048.db2.gz BVQJNNSEIAHYML-GHMZBOCLSA-N 2 0 243.351 -0.273 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCOCC[NH2+]C ZINC000638578145 352406792 /nfs/dbraw/zinc/40/67/92/352406792.db2.gz BVQJNNSEIAHYML-MNOVXSKESA-N 2 0 243.351 -0.273 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCOCC[NH2+]C ZINC000638578146 352406812 /nfs/dbraw/zinc/40/68/12/352406812.db2.gz BVQJNNSEIAHYML-QWRGUYRKSA-N 2 0 243.351 -0.273 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCOCC[NH2+]C ZINC000638578147 352406659 /nfs/dbraw/zinc/40/66/59/352406659.db2.gz BVQJNNSEIAHYML-WDEREUQCSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638578177 352406679 /nfs/dbraw/zinc/40/66/79/352406679.db2.gz COVKZSBENSCWIS-CMPLNLGQSA-N 2 0 241.335 -0.662 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638578178 352406717 /nfs/dbraw/zinc/40/67/17/352406717.db2.gz COVKZSBENSCWIS-JQWIXIFHSA-N 2 0 241.335 -0.662 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638578179 352407087 /nfs/dbraw/zinc/40/70/87/352407087.db2.gz COVKZSBENSCWIS-PWSUYJOCSA-N 2 0 241.335 -0.662 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638578180 352406818 /nfs/dbraw/zinc/40/68/18/352406818.db2.gz COVKZSBENSCWIS-ZYHUDNBSSA-N 2 0 241.335 -0.662 20 0 BBADRP CCC[N@H+](C)CC(=O)NCCOCC[NH2+]C ZINC000638578271 352407702 /nfs/dbraw/zinc/40/77/02/352407702.db2.gz MRZWKAWWCCQRER-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000638578351 352406140 /nfs/dbraw/zinc/40/61/40/352406140.db2.gz DVZKHKXYFSMONF-NXEZZACHSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638578352 352406146 /nfs/dbraw/zinc/40/61/46/352406146.db2.gz DVZKHKXYFSMONF-UWVGGRQHSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000638578353 352405855 /nfs/dbraw/zinc/40/58/55/352405855.db2.gz DVZKHKXYFSMONF-VHSXEESVSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000638578354 352406280 /nfs/dbraw/zinc/40/62/80/352406280.db2.gz DVZKHKXYFSMONF-ZJUUUORDSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000638578467 352407697 /nfs/dbraw/zinc/40/76/97/352407697.db2.gz GEKWUIMRBAHVST-SNVBAGLBSA-N 2 0 229.324 -0.662 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC[C@@H](C)[NH3+] ZINC000638578529 352407612 /nfs/dbraw/zinc/40/76/12/352407612.db2.gz HJGREANJRRTADP-SECBINFHSA-N 2 0 217.313 -0.534 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC[C@H](C)[NH3+] ZINC000638578530 352407470 /nfs/dbraw/zinc/40/74/70/352407470.db2.gz HJGREANJRRTADP-VIFPVBQESA-N 2 0 217.313 -0.534 20 0 BBADRP CC[NH+](CC)CC(=O)NCCOCC[NH2+]C ZINC000638578547 352408290 /nfs/dbraw/zinc/40/82/90/352408290.db2.gz NSVBKZPDGRUXND-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[N@H+](C)C(C)C ZINC000638578594 352409020 /nfs/dbraw/zinc/40/90/20/352409020.db2.gz PMIVBVNZPRVUSL-UHFFFAOYSA-N 2 0 231.340 -0.321 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000638578709 352408140 /nfs/dbraw/zinc/40/81/40/352408140.db2.gz HWPSJNFLUQMOEO-BDAKNGLRSA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000638578717 352408458 /nfs/dbraw/zinc/40/84/58/352408458.db2.gz HWPSJNFLUQMOEO-DTWKUNHWSA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000638578718 352408412 /nfs/dbraw/zinc/40/84/12/352408412.db2.gz HWPSJNFLUQMOEO-IUCAKERBSA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000638578719 352408132 /nfs/dbraw/zinc/40/81/32/352408132.db2.gz HWPSJNFLUQMOEO-RKDXNWHRSA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000638578724 352408107 /nfs/dbraw/zinc/40/81/07/352408107.db2.gz HZZLGEKPHMROKV-SECBINFHSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638578726 352408277 /nfs/dbraw/zinc/40/82/77/352408277.db2.gz HZZLGEKPHMROKV-VIFPVBQESA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638578826 352408777 /nfs/dbraw/zinc/40/87/77/352408777.db2.gz JPWMPTPRKYRAOT-BBBLOLIVSA-N 2 0 227.308 -0.911 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638578827 352409095 /nfs/dbraw/zinc/40/90/95/352409095.db2.gz JQABYDKXVVKMKY-LLVKDONJSA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000638578828 352408960 /nfs/dbraw/zinc/40/89/60/352408960.db2.gz JQABYDKXVVKMKY-NSHDSACASA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000638578845 352408773 /nfs/dbraw/zinc/40/87/73/352408773.db2.gz RVRBOIVDBXVBMX-LLVKDONJSA-N 2 0 245.367 -0.075 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000638578846 352408931 /nfs/dbraw/zinc/40/89/31/352408931.db2.gz RVRBOIVDBXVBMX-NSHDSACASA-N 2 0 245.367 -0.075 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638579058 352409644 /nfs/dbraw/zinc/40/96/44/352409644.db2.gz LWRJXQXFLPCLIS-GFCCVEGCSA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638579060 352409787 /nfs/dbraw/zinc/40/97/87/352409787.db2.gz LWRJXQXFLPCLIS-LBPRGKRZSA-N 2 0 243.351 -0.272 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638579099 352409680 /nfs/dbraw/zinc/40/96/80/352409680.db2.gz MCIYJBMPDVQPOK-NSHDSACASA-N 2 0 229.324 -0.519 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCOCC[NH2+]C ZINC000638579264 352409675 /nfs/dbraw/zinc/40/96/75/352409675.db2.gz NZGKITYJDOWYBH-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638579291 352409604 /nfs/dbraw/zinc/40/96/04/352409604.db2.gz ONYYDAIQSJPDTO-QWRGUYRKSA-N 2 0 243.351 -0.273 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCOCC[NH2+]C ZINC000638579309 352409818 /nfs/dbraw/zinc/40/98/18/352409818.db2.gz OQYDDERWNNOXQG-UWVGGRQHSA-N 2 0 231.340 -0.288 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCOCC[NH2+]C ZINC000638579312 352409726 /nfs/dbraw/zinc/40/97/26/352409726.db2.gz OQYDDERWNNOXQG-ZJUUUORDSA-N 2 0 231.340 -0.288 20 0 BBADRP C[NH2+]CCOCCNC(=O)c1c[nH+]ccc1N ZINC000638579336 352409971 /nfs/dbraw/zinc/40/99/71/352409971.db2.gz OXBKDOXNVOZPDU-UHFFFAOYSA-N 2 0 238.291 -0.540 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[NH2+]C1CC1 ZINC000638579364 352409941 /nfs/dbraw/zinc/40/99/41/352409941.db2.gz PISYXSCWSSMWTH-UHFFFAOYSA-N 2 0 215.297 -0.909 20 0 BBADRP CC[C@]1(C(=O)NCCOCC[NH2+]C)CCC[NH2+]1 ZINC000638579382 352409708 /nfs/dbraw/zinc/40/97/08/352409708.db2.gz PZZOMZNPDWMJKE-GFCCVEGCSA-N 2 0 243.351 -0.129 20 0 BBADRP CC[C@@]1(C(=O)NCCOCC[NH2+]C)CCC[NH2+]1 ZINC000638579383 352409672 /nfs/dbraw/zinc/40/96/72/352409672.db2.gz PZZOMZNPDWMJKE-LBPRGKRZSA-N 2 0 243.351 -0.129 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]([NH3+])C(C)C ZINC000638579593 352409740 /nfs/dbraw/zinc/40/97/40/352409740.db2.gz STUGUODQYLHJHZ-SECBINFHSA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]CCOCCNC(=O)C1([NH3+])CCC1 ZINC000638579655 352410729 /nfs/dbraw/zinc/41/07/29/352410729.db2.gz UIQZAIKJEGIMPM-UHFFFAOYSA-N 2 0 215.297 -0.780 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638579939 352408871 /nfs/dbraw/zinc/40/88/71/352408871.db2.gz ZVCFQJGXFYNXBM-NSHDSACASA-N 2 0 243.351 -0.129 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC(C)(C)[NH3+] ZINC000638583120 352414573 /nfs/dbraw/zinc/41/45/73/352414573.db2.gz AEAZDCWJQDGUOL-UHFFFAOYSA-N 2 0 217.313 -0.534 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NCCOCC[NH2+]C ZINC000638583218 352414418 /nfs/dbraw/zinc/41/44/18/352414418.db2.gz BXTAJPUJCBUARQ-LLVKDONJSA-N 2 0 231.340 -0.144 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NCCOCC[NH2+]C ZINC000638583220 352414235 /nfs/dbraw/zinc/41/42/35/352414235.db2.gz BXTAJPUJCBUARQ-NSHDSACASA-N 2 0 231.340 -0.144 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[NH2+]CC1CC1 ZINC000638583222 352414229 /nfs/dbraw/zinc/41/42/29/352414229.db2.gz BYZKXTMVEZUKAB-UHFFFAOYSA-N 2 0 229.324 -0.662 20 0 BBADRP C[NH2+]CCOCCNC(=O)C1(C[NH3+])CCCC1 ZINC000638583229 352414161 /nfs/dbraw/zinc/41/41/61/352414161.db2.gz CDWXYOGVKTUNSX-UHFFFAOYSA-N 2 0 243.351 -0.142 20 0 BBADRP C[NH2+]CCCC(=O)NCCOCC[NH2+]C ZINC000638583268 352414355 /nfs/dbraw/zinc/41/43/55/352414355.db2.gz CXAAUZDVOBUDGP-UHFFFAOYSA-N 2 0 217.313 -0.662 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000638583485 352414578 /nfs/dbraw/zinc/41/45/78/352414578.db2.gz DSBOHEKMGGGPOL-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000638583487 352414117 /nfs/dbraw/zinc/41/41/17/352414117.db2.gz DSBOHEKMGGGPOL-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCOCCNC(=O)C(C)(C)C[NH3+] ZINC000638583491 352414340 /nfs/dbraw/zinc/41/43/40/352414340.db2.gz FAXNCZUDRYPBET-UHFFFAOYSA-N 2 0 217.313 -0.677 20 0 BBADRP C[NH2+]CCOCCNC(=O)CCC[NH3+] ZINC000638583528 352414325 /nfs/dbraw/zinc/41/43/25/352414325.db2.gz FPQFESPMIQUOAQ-UHFFFAOYSA-N 2 0 203.286 -0.923 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638584043 352415170 /nfs/dbraw/zinc/41/51/70/352415170.db2.gz MLABIVWTCNKKMS-SECBINFHSA-N 2 0 231.340 -0.288 20 0 BBADRP C[NH2+]CCOCCNC(=O)C1([NH3+])CCCC1 ZINC000638584060 352415219 /nfs/dbraw/zinc/41/52/19/352415219.db2.gz MQVPHRZOUUQODJ-UHFFFAOYSA-N 2 0 229.324 -0.390 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC1CC[NH2+]CC1 ZINC000638584064 352415011 /nfs/dbraw/zinc/41/50/11/352415011.db2.gz MUZHBSCMQQJKEI-UHFFFAOYSA-N 2 0 243.351 -0.272 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCOCC[NH2+]C ZINC000638584144 352415085 /nfs/dbraw/zinc/41/50/85/352415085.db2.gz NZGKITYJDOWYBH-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC[NH2+]C(C)C ZINC000638584173 352415226 /nfs/dbraw/zinc/41/52/26/352415226.db2.gz OMBVLQMAGUTOQD-UHFFFAOYSA-N 2 0 231.340 -0.273 20 0 BBADRP C[NH2+]CCOCCNC(=O)C(C)(C)[NH3+] ZINC000638584864 398135426 /nfs/dbraw/zinc/13/54/26/398135426.db2.gz PCWULWMTWWIHEM-UHFFFAOYSA-N 2 0 203.286 -0.924 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[C@@H](C)[NH3+] ZINC000638584896 398135183 /nfs/dbraw/zinc/13/51/83/398135183.db2.gz QCEARGZQCVMPIV-MRVPVSSYSA-N 2 0 203.286 -0.924 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638584919 386049534 /nfs/dbraw/zinc/04/95/34/386049534.db2.gz RICRABRRINJWSK-GHMZBOCLSA-N 2 0 243.351 -0.144 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000638585084 352417075 /nfs/dbraw/zinc/41/70/75/352417075.db2.gz SHMFJPXZIWXQSF-JTQLQIEISA-N 2 0 231.340 -0.288 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000638585112 352417223 /nfs/dbraw/zinc/41/72/23/352417223.db2.gz STUGUODQYLHJHZ-VIFPVBQESA-N 2 0 217.313 -0.678 20 0 BBADRP C[NH2+]CCOCCNC(=O)CCC(C)(C)[NH3+] ZINC000638585130 352417392 /nfs/dbraw/zinc/41/73/92/352417392.db2.gz TYFXVNASYQZYGF-UHFFFAOYSA-N 2 0 231.340 -0.144 20 0 BBADRP C[NH2+]CCOCCNC(=O)CC1([NH3+])CCC1 ZINC000638585139 352417309 /nfs/dbraw/zinc/41/73/09/352417309.db2.gz UHLSPIDZGYFZOV-UHFFFAOYSA-N 2 0 229.324 -0.390 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638585196 352417046 /nfs/dbraw/zinc/41/70/46/352417046.db2.gz VNSYMLYSYAXFLA-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638585197 352417388 /nfs/dbraw/zinc/41/73/88/352417388.db2.gz VNSYMLYSYAXFLA-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000638585320 352417166 /nfs/dbraw/zinc/41/71/66/352417166.db2.gz XTIMQSJPZMILCE-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000638585321 352417137 /nfs/dbraw/zinc/41/71/37/352417137.db2.gz XTIMQSJPZMILCE-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000638585327 352417434 /nfs/dbraw/zinc/41/74/34/352417434.db2.gz XYEMXVVANLSIRR-LLVKDONJSA-N 2 0 229.324 -0.662 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638585328 352417063 /nfs/dbraw/zinc/41/70/63/352417063.db2.gz XYEMXVVANLSIRR-NSHDSACASA-N 2 0 229.324 -0.662 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H](C)C[NH2+]C ZINC000638585342 352417264 /nfs/dbraw/zinc/41/72/64/352417264.db2.gz YGWQNNNEQNLWPJ-SECBINFHSA-N 2 0 217.313 -0.806 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H](C)C[NH2+]C ZINC000638585343 352417095 /nfs/dbraw/zinc/41/70/95/352417095.db2.gz YGWQNNNEQNLWPJ-VIFPVBQESA-N 2 0 217.313 -0.806 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000638585896 352415862 /nfs/dbraw/zinc/41/58/62/352415862.db2.gz BJMXIAWGRCRYMU-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCCC(=O)N(C)CCOCC[NH2+]C ZINC000638585977 352415886 /nfs/dbraw/zinc/41/58/86/352415886.db2.gz DTJYORKFLJLUAU-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CC(C)(C)[NH3+] ZINC000638585989 352416005 /nfs/dbraw/zinc/41/60/05/352416005.db2.gz FPFRUOZCQBBTFX-UHFFFAOYSA-N 2 0 231.340 -0.192 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H](C)[NH3+] ZINC000638586063 352415865 /nfs/dbraw/zinc/41/58/65/352415865.db2.gz GWERPEDOSIDFDF-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@H](C)[NH3+] ZINC000638586066 352415891 /nfs/dbraw/zinc/41/58/91/352415891.db2.gz GWERPEDOSIDFDF-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000638586067 352415948 /nfs/dbraw/zinc/41/59/48/352415948.db2.gz GWMKQPKGZZALPP-GFCCVEGCSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638586068 352415877 /nfs/dbraw/zinc/41/58/77/352415877.db2.gz GWMKQPKGZZALPP-LBPRGKRZSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[NH2+]CC1CC1 ZINC000638586078 352415914 /nfs/dbraw/zinc/41/59/14/352415914.db2.gz HATOIBHNTAHCRY-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CC[NH3+] ZINC000638586080 352415958 /nfs/dbraw/zinc/41/59/58/352415958.db2.gz HAZLLTPODFEWBK-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C1([NH3+])CC1 ZINC000638586248 411478633 /nfs/dbraw/zinc/47/86/33/411478633.db2.gz MOTRXRSDFGKFMD-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C1CC[NH2+]CC1 ZINC000638586249 411478652 /nfs/dbraw/zinc/47/86/52/411478652.db2.gz MOUHGYLWNCYPRY-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C(C)(C)[NH3+] ZINC000638586259 411478715 /nfs/dbraw/zinc/47/87/15/411478715.db2.gz NETVTVSPNIGGGV-UHFFFAOYSA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000638586272 398134477 /nfs/dbraw/zinc/13/44/77/398134477.db2.gz NPLNJERVBRQGCQ-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000638586273 398134520 /nfs/dbraw/zinc/13/45/20/398134520.db2.gz NPLNJERVBRQGCQ-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP CC[C@H]([NH3+])C(=O)N(C)CCOCC[NH2+]C ZINC000638586463 352417151 /nfs/dbraw/zinc/41/71/51/352417151.db2.gz QWWGGCMWNVTVCH-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000638586576 352415970 /nfs/dbraw/zinc/41/59/70/352415970.db2.gz UECRQGMANZUPBY-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000638586577 352415935 /nfs/dbraw/zinc/41/59/35/352415935.db2.gz UECRQGMANZUPBY-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000638586581 352415821 /nfs/dbraw/zinc/41/58/21/352415821.db2.gz UKVWUNLZWKTUSC-JTQLQIEISA-N 2 0 231.340 -0.336 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])C(C)C ZINC000638586582 352415827 /nfs/dbraw/zinc/41/58/27/352415827.db2.gz UKVWUNLZWKTUSC-SNVBAGLBSA-N 2 0 231.340 -0.336 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CCC[NH3+] ZINC000638586607 352416532 /nfs/dbraw/zinc/41/65/32/352416532.db2.gz UZTMMWCVKISJNV-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CC1([NH3+])CCC1 ZINC000638586608 352416683 /nfs/dbraw/zinc/41/66/83/352416683.db2.gz VAJSKDSHXUSZGC-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)C[NH2+]C ZINC000638586728 352418633 /nfs/dbraw/zinc/41/86/33/352418633.db2.gz VPQNNDDPJJMMDI-JTQLQIEISA-N 2 0 231.340 -0.464 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)C[NH2+]C ZINC000638586729 352418623 /nfs/dbraw/zinc/41/86/23/352418623.db2.gz VPQNNDDPJJMMDI-SNVBAGLBSA-N 2 0 231.340 -0.464 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C(C)(C)C[NH3+] ZINC000638586761 352418635 /nfs/dbraw/zinc/41/86/35/352418635.db2.gz XAFBAJPXGRTCJD-UHFFFAOYSA-N 2 0 231.340 -0.334 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000638586802 352418553 /nfs/dbraw/zinc/41/85/53/352418553.db2.gz YXPFXNXSFBOMTD-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000638586803 352418582 /nfs/dbraw/zinc/41/85/82/352418582.db2.gz YXPFXNXSFBOMTD-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)[NH3+] ZINC000638586806 352418630 /nfs/dbraw/zinc/41/86/30/352418630.db2.gz YZONLWROONZESZ-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)[NH3+] ZINC000638586808 352418546 /nfs/dbraw/zinc/41/85/46/352418546.db2.gz YZONLWROONZESZ-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C1([NH3+])CCCC1 ZINC000638586851 352418559 /nfs/dbraw/zinc/41/85/59/352418559.db2.gz ZWHOASUZUCOZQE-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638591029 352421925 /nfs/dbraw/zinc/42/19/25/352421925.db2.gz ADIJULWJVPGSJC-JTQLQIEISA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000638591030 352422479 /nfs/dbraw/zinc/42/24/79/352422479.db2.gz ADIJULWJVPGSJC-SNVBAGLBSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H](C[NH3+])OC ZINC000638591085 352422208 /nfs/dbraw/zinc/42/22/08/352422208.db2.gz CETJSIDHTCGSJA-JTQLQIEISA-N 2 0 247.339 -0.955 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@H](C[NH3+])OC ZINC000638591086 352422483 /nfs/dbraw/zinc/42/24/83/352422483.db2.gz CETJSIDHTCGSJA-SNVBAGLBSA-N 2 0 247.339 -0.955 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638591228 352422212 /nfs/dbraw/zinc/42/22/12/352422212.db2.gz DVYIYKDJUGZRQI-MXWKQRLJSA-N 2 0 241.335 -0.569 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CC[NH2+]C ZINC000638591260 352422343 /nfs/dbraw/zinc/42/23/43/352422343.db2.gz FZHYTNDIPWWYNC-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[NH2+]C1CC1 ZINC000638591272 352422526 /nfs/dbraw/zinc/42/25/26/352422526.db2.gz GIUZECJPDYVSAC-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CC[NH2+]1 ZINC000638591329 352422534 /nfs/dbraw/zinc/42/25/34/352422534.db2.gz HNTNFTMGTGRKGJ-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CCCC[NH3+] ZINC000638591352 352421901 /nfs/dbraw/zinc/42/19/01/352421901.db2.gz HYSSPFYSPPDSDP-UHFFFAOYSA-N 2 0 231.340 -0.190 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000638591526 352421919 /nfs/dbraw/zinc/42/19/19/352421919.db2.gz IMEZRUKNJWNABS-LLVKDONJSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000638591527 352421993 /nfs/dbraw/zinc/42/19/93/352421993.db2.gz IMEZRUKNJWNABS-NSHDSACASA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C1([NH3+])CCC1 ZINC000638591681 352421402 /nfs/dbraw/zinc/42/14/02/352421402.db2.gz LQSYDKJLAKMYNG-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000638591820 352421411 /nfs/dbraw/zinc/42/14/11/352421411.db2.gz MJYKHUGXRSLUAE-LBPRGKRZSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000638591822 352421452 /nfs/dbraw/zinc/42/14/52/352421452.db2.gz MLTQMCQEGBBKLG-GHMZBOCLSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000638591823 352421384 /nfs/dbraw/zinc/42/13/84/352421384.db2.gz MLTQMCQEGBBKLG-MNOVXSKESA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638591824 352421546 /nfs/dbraw/zinc/42/15/46/352421546.db2.gz MLTQMCQEGBBKLG-QWRGUYRKSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000638591825 352421486 /nfs/dbraw/zinc/42/14/86/352421486.db2.gz MLTQMCQEGBBKLG-WDEREUQCSA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638591827 352421521 /nfs/dbraw/zinc/42/15/21/352421521.db2.gz MQIVHTOXHAXARL-URLYPYJESA-N 2 0 241.335 -0.854 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)C[NH3+] ZINC000638591879 352422511 /nfs/dbraw/zinc/42/25/11/352422511.db2.gz NXSFPQCFJHPVTC-SECBINFHSA-N 2 0 217.313 -0.724 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)C[NH3+] ZINC000638591880 352422355 /nfs/dbraw/zinc/42/23/55/352422355.db2.gz NXSFPQCFJHPVTC-VIFPVBQESA-N 2 0 217.313 -0.724 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N(C)CCOCC[NH2+]C ZINC000638592454 352424842 /nfs/dbraw/zinc/42/48/42/352424842.db2.gz CWUGPOPBWZEVEO-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N(C)CCOCC[NH2+]C ZINC000638592455 352424690 /nfs/dbraw/zinc/42/46/90/352424690.db2.gz CWUGPOPBWZEVEO-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C1(C)C[NH2+]C1 ZINC000638592526 352424800 /nfs/dbraw/zinc/42/48/00/352424800.db2.gz FZRIQCPIXUKCCQ-UHFFFAOYSA-N 2 0 229.324 -0.710 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CC[C@H](C)[NH3+] ZINC000638592774 352423304 /nfs/dbraw/zinc/42/33/04/352423304.db2.gz PRVLTXRTKOBARU-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000638592775 352423159 /nfs/dbraw/zinc/42/31/59/352423159.db2.gz PRVLTXRTKOBARU-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000638592857 352423361 /nfs/dbraw/zinc/42/33/61/352423361.db2.gz SWOPIIZVQQDYQI-NXEZZACHSA-N 2 0 231.340 -0.336 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000638592858 352422951 /nfs/dbraw/zinc/42/29/51/352422951.db2.gz SWOPIIZVQQDYQI-UWVGGRQHSA-N 2 0 231.340 -0.336 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000638592859 352423186 /nfs/dbraw/zinc/42/31/86/352423186.db2.gz SWOPIIZVQQDYQI-VHSXEESVSA-N 2 0 231.340 -0.336 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000638592860 352423264 /nfs/dbraw/zinc/42/32/64/352423264.db2.gz SWOPIIZVQQDYQI-ZJUUUORDSA-N 2 0 231.340 -0.336 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)[NH+](C)C ZINC000638592974 352422910 /nfs/dbraw/zinc/42/29/10/352422910.db2.gz XCUWCBKTZDJFRM-JTQLQIEISA-N 2 0 231.340 -0.369 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[NH+](C)C ZINC000638592979 352423092 /nfs/dbraw/zinc/42/30/92/352423092.db2.gz XOUCORWJDNSYAI-UHFFFAOYSA-N 2 0 217.313 -0.758 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CC1(C[NH3+])CC1 ZINC000638593084 352423320 /nfs/dbraw/zinc/42/33/20/352423320.db2.gz GYKLCEKKFHXDSF-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])C1CCC1 ZINC000638593143 352423000 /nfs/dbraw/zinc/42/30/00/352423000.db2.gz JDCJNXNJIUZZDF-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000638593144 352422853 /nfs/dbraw/zinc/42/28/53/352422853.db2.gz JDCJNXNJIUZZDF-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CC[NH2+]C1CC1 ZINC000638593321 352423833 /nfs/dbraw/zinc/42/38/33/352423833.db2.gz PGNPBLSKDAEJBR-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)[NH2+]C ZINC000638593458 352423904 /nfs/dbraw/zinc/42/39/04/352423904.db2.gz QQMKEORFXGFESS-VIFPVBQESA-N 2 0 217.313 -0.711 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[NH2+]C(C)C ZINC000638593471 352424166 /nfs/dbraw/zinc/42/41/66/352424166.db2.gz CZVBOAZZUXLAPC-UHFFFAOYSA-N 2 0 231.340 -0.321 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638593496 352424118 /nfs/dbraw/zinc/42/41/18/352424118.db2.gz DPAAMPKVWJSNBS-LLVKDONJSA-N 2 0 241.335 -0.272 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638593497 352423977 /nfs/dbraw/zinc/42/39/77/352423977.db2.gz DPAAMPKVWJSNBS-NSHDSACASA-N 2 0 241.335 -0.272 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638593866 352424100 /nfs/dbraw/zinc/42/41/00/352424100.db2.gz YEDJAOSXMIIOBG-AOOOYVTPSA-N 2 0 229.324 -0.582 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N(C)CCOCC[NH2+]C ZINC000638594189 352424738 /nfs/dbraw/zinc/42/47/38/352424738.db2.gz LKRXXKPPPKLGDR-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N(C)CCOCC[NH2+]C ZINC000638594190 352424909 /nfs/dbraw/zinc/42/49/09/352424909.db2.gz LKRXXKPPPKLGDR-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CC1([NH3+])CC1 ZINC000638594270 352424443 /nfs/dbraw/zinc/42/44/43/352424443.db2.gz MDFDCXVFODMUHS-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638594409 352425247 /nfs/dbraw/zinc/42/52/47/352425247.db2.gz OZZHXORANJSAME-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638595145 352425065 /nfs/dbraw/zinc/42/50/65/352425065.db2.gz YEDJAOSXMIIOBG-MGCOHNPYSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)CCC1C[NH2+]C1 ZINC000638595152 352425293 /nfs/dbraw/zinc/42/52/93/352425293.db2.gz PKIRCQSJUQNABC-UHFFFAOYSA-N 2 0 243.351 -0.320 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)[NH+](C)C ZINC000638595895 352427102 /nfs/dbraw/zinc/42/71/02/352427102.db2.gz XCUWCBKTZDJFRM-SNVBAGLBSA-N 2 0 231.340 -0.369 20 0 BBADRP C[C@H](C[NH3+])C(=O)NC[C@H]1COCCN1C ZINC000638608515 352447739 /nfs/dbraw/zinc/44/77/39/352447739.db2.gz BMEOAIGTPSMEPT-BDAKNGLRSA-N 2 0 215.297 -0.972 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000638608516 352447681 /nfs/dbraw/zinc/44/76/81/352447681.db2.gz BMEOAIGTPSMEPT-DTWKUNHWSA-N 2 0 215.297 -0.972 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1COCCN1C ZINC000638608518 352447876 /nfs/dbraw/zinc/44/78/76/352447876.db2.gz BMEOAIGTPSMEPT-IUCAKERBSA-N 2 0 215.297 -0.972 20 0 BBADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000638608521 352447810 /nfs/dbraw/zinc/44/78/10/352447810.db2.gz BMEOAIGTPSMEPT-RKDXNWHRSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@H]1COCCN1C ZINC000638609078 352447244 /nfs/dbraw/zinc/44/72/44/352447244.db2.gz DPXWDIVGTBPEFL-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@@H]1COCCN1C ZINC000638609080 352446967 /nfs/dbraw/zinc/44/69/67/352446967.db2.gz DPXWDIVGTBPEFL-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1COCCN1C ZINC000638609619 352447004 /nfs/dbraw/zinc/44/70/04/352447004.db2.gz FZOSSBORFVKZAO-JQWIXIFHSA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000638609620 352447056 /nfs/dbraw/zinc/44/70/56/352447056.db2.gz FZOSSBORFVKZAO-PWSUYJOCSA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000638609621 352446827 /nfs/dbraw/zinc/44/68/27/352446827.db2.gz FZOSSBORFVKZAO-ZYHUDNBSSA-N 2 0 243.351 -0.049 20 0 BBADRP CN1CCOC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000638609767 352450176 /nfs/dbraw/zinc/45/01/76/352450176.db2.gz GYWRYXKPCXWWQA-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP CN1CCOC[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000638610336 352448198 /nfs/dbraw/zinc/44/81/98/352448198.db2.gz KHCHVRVMLBJILG-JTQLQIEISA-N 2 0 241.335 -0.295 20 0 BBADRP CN1CCOC[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000638610340 352448214 /nfs/dbraw/zinc/44/82/14/352448214.db2.gz KHCHVRVMLBJILG-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP CN1CCOC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000638610756 352449293 /nfs/dbraw/zinc/44/92/93/352449293.db2.gz KKEHGWHVCXBNLE-SECBINFHSA-N 2 0 229.324 -0.582 20 0 BBADRP CN1CCOC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000638610758 352449689 /nfs/dbraw/zinc/44/96/89/352449689.db2.gz KKEHGWHVCXBNLE-VIFPVBQESA-N 2 0 229.324 -0.582 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@H]1COCCN1C ZINC000638610793 352449529 /nfs/dbraw/zinc/44/95/29/352449529.db2.gz KVBGFHBTQPYMEC-JTQLQIEISA-N 2 0 229.324 -0.569 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1COCCN1C ZINC000638610794 352449452 /nfs/dbraw/zinc/44/94/52/352449452.db2.gz KVBGFHBTQPYMEC-SNVBAGLBSA-N 2 0 229.324 -0.569 20 0 BBADRP CN1CCOC[C@H]1CNC(=O)CCC[NH3+] ZINC000638610894 352449309 /nfs/dbraw/zinc/44/93/09/352449309.db2.gz LTPODRNEHSFVFT-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP CN1CCOC[C@@H]1CNC(=O)CCC[NH3+] ZINC000638610903 352449402 /nfs/dbraw/zinc/44/94/02/352449402.db2.gz LTPODRNEHSFVFT-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP CN1CCOC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000638610950 352449354 /nfs/dbraw/zinc/44/93/54/352449354.db2.gz MGHIAEDVYFPVJG-SECBINFHSA-N 2 0 227.308 -0.685 20 0 BBADRP CN1CCOC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000638610951 352449345 /nfs/dbraw/zinc/44/93/45/352449345.db2.gz MGHIAEDVYFPVJG-VIFPVBQESA-N 2 0 227.308 -0.685 20 0 BBADRP CN1CCOC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000638611361 352449647 /nfs/dbraw/zinc/44/96/47/352449647.db2.gz OJVHOPOHCZRYIZ-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP CN1CCOC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000638611362 352449444 /nfs/dbraw/zinc/44/94/44/352449444.db2.gz OJVHOPOHCZRYIZ-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638611543 352450251 /nfs/dbraw/zinc/45/02/51/352450251.db2.gz HTWKMHRLSAEYPZ-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638611544 352449944 /nfs/dbraw/zinc/44/99/44/352449944.db2.gz HTWKMHRLSAEYPZ-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H](C(=O)NC[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000638612127 352451465 /nfs/dbraw/zinc/45/14/65/352451465.db2.gz MEWIAMJYCOMDDL-BDAKNGLRSA-N 2 0 215.297 -0.959 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000638612128 352451282 /nfs/dbraw/zinc/45/12/82/352451282.db2.gz MEWIAMJYCOMDDL-DTWKUNHWSA-N 2 0 215.297 -0.959 20 0 BBADRP C[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000638612129 352450998 /nfs/dbraw/zinc/45/09/98/352450998.db2.gz MEWIAMJYCOMDDL-IUCAKERBSA-N 2 0 215.297 -0.959 20 0 BBADRP C[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000638612130 352450953 /nfs/dbraw/zinc/45/09/53/352450953.db2.gz MEWIAMJYCOMDDL-RKDXNWHRSA-N 2 0 215.297 -0.959 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638612191 352452200 /nfs/dbraw/zinc/45/22/00/352452200.db2.gz NIFVLEDJNYTWBL-BDAKNGLRSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638612193 352451808 /nfs/dbraw/zinc/45/18/08/352451808.db2.gz NIFVLEDJNYTWBL-DTWKUNHWSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638612194 352452006 /nfs/dbraw/zinc/45/20/06/352452006.db2.gz NIFVLEDJNYTWBL-IUCAKERBSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638612196 352452049 /nfs/dbraw/zinc/45/20/49/352452049.db2.gz NIFVLEDJNYTWBL-RKDXNWHRSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000638612336 352452294 /nfs/dbraw/zinc/45/22/94/352452294.db2.gz UQMLCYZSAQFMAD-MXWKQRLJSA-N 2 0 243.351 -0.193 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1COCCN1C ZINC000638612337 352451932 /nfs/dbraw/zinc/45/19/32/352451932.db2.gz UQMLCYZSAQFMAD-VWYCJHECSA-N 2 0 243.351 -0.193 20 0 BBADRP CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638612341 352452038 /nfs/dbraw/zinc/45/20/38/352452038.db2.gz UTSAXFHUBYFAEI-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP CN1CCOC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638612342 352452210 /nfs/dbraw/zinc/45/22/10/352452210.db2.gz UTSAXFHUBYFAEI-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP CN1CCOC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000638612399 352452231 /nfs/dbraw/zinc/45/22/31/352452231.db2.gz VNMPOYKIFMBNCO-SECBINFHSA-N 2 0 227.308 -0.685 20 0 BBADRP CN1CCOC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000638612400 352451919 /nfs/dbraw/zinc/45/19/19/352451919.db2.gz VNMPOYKIFMBNCO-VIFPVBQESA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1COCCN1C ZINC000638612403 352451702 /nfs/dbraw/zinc/45/17/02/352451702.db2.gz VQBRVLNTMLPSLT-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1COCCN1C ZINC000638612404 352451960 /nfs/dbraw/zinc/45/19/60/352451960.db2.gz VQBRVLNTMLPSLT-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638612796 352453543 /nfs/dbraw/zinc/45/35/43/352453543.db2.gz FEJJWVSJVKLFCV-GARJFASQSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638612797 352453530 /nfs/dbraw/zinc/45/35/30/352453530.db2.gz FEJJWVSJVKLFCV-HBNTYKKESA-N 2 0 241.335 -0.392 20 0 BBADRP C[NH+](C)CC1(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000638612817 352450898 /nfs/dbraw/zinc/45/08/98/352450898.db2.gz RTAOMTTZUPVRRT-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000638612818 352451253 /nfs/dbraw/zinc/45/12/53/352451253.db2.gz RTAOMTTZUPVRRT-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000638613132 538025330 /nfs/dbraw/zinc/02/53/30/538025330.db2.gz GZYNHCOBVMFIPA-SECBINFHSA-N 2 0 227.308 -0.780 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000638613133 538025497 /nfs/dbraw/zinc/02/54/97/538025497.db2.gz GZYNHCOBVMFIPA-VIFPVBQESA-N 2 0 227.308 -0.780 20 0 BBADRP CC[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000638613209 491116022 /nfs/dbraw/zinc/11/60/22/491116022.db2.gz UCQFOOUPFNJPDQ-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP CC[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000638613210 491116009 /nfs/dbraw/zinc/11/60/09/491116009.db2.gz UCQFOOUPFNJPDQ-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP CC[C@H](C(=O)NC[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000638613211 352452559 /nfs/dbraw/zinc/45/25/59/352452559.db2.gz UCQFOOUPFNJPDQ-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP CC[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000638613212 352452573 /nfs/dbraw/zinc/45/25/73/352452573.db2.gz UCQFOOUPFNJPDQ-ZJUUUORDSA-N 2 0 229.324 -0.569 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638613639 398139782 /nfs/dbraw/zinc/13/97/82/398139782.db2.gz ZHIXDOZQXPRASX-GHMZBOCLSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638613640 398140163 /nfs/dbraw/zinc/14/01/63/398140163.db2.gz ZHIXDOZQXPRASX-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638613642 398140391 /nfs/dbraw/zinc/14/03/91/398140391.db2.gz ZHIXDOZQXPRASX-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638613643 398140236 /nfs/dbraw/zinc/14/02/36/398140236.db2.gz ZHIXDOZQXPRASX-WDEREUQCSA-N 2 0 241.335 -0.567 20 0 BBADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638613657 398139932 /nfs/dbraw/zinc/13/99/32/398139932.db2.gz ZNHCQLPPXZSCIO-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638613659 398140335 /nfs/dbraw/zinc/14/03/35/398140335.db2.gz ZNHCQLPPXZSCIO-MNOVXSKESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638613660 398140132 /nfs/dbraw/zinc/14/01/32/398140132.db2.gz ZNHCQLPPXZSCIO-QWRGUYRKSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638613662 398140377 /nfs/dbraw/zinc/14/03/77/398140377.db2.gz ZNHCQLPPXZSCIO-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638613689 398139778 /nfs/dbraw/zinc/13/97/78/398139778.db2.gz KBPGJGPTRGHGMO-SECBINFHSA-N 2 0 215.297 -0.911 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638613690 398139848 /nfs/dbraw/zinc/13/98/48/398139848.db2.gz KBPGJGPTRGHGMO-VIFPVBQESA-N 2 0 215.297 -0.911 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000638613962 352453317 /nfs/dbraw/zinc/45/33/17/352453317.db2.gz NINVSKBMIDTYTJ-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000638613964 352453466 /nfs/dbraw/zinc/45/34/66/352453466.db2.gz NINVSKBMIDTYTJ-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000638613965 352453364 /nfs/dbraw/zinc/45/33/64/352453364.db2.gz NINVSKBMIDTYTJ-QWRGUYRKSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000638613966 352453397 /nfs/dbraw/zinc/45/33/97/352453397.db2.gz NINVSKBMIDTYTJ-WDEREUQCSA-N 2 0 241.335 -0.519 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)[C@H](C)[NH3+] ZINC000638614050 352453555 /nfs/dbraw/zinc/45/35/55/352453555.db2.gz OSUSGYQLANQCND-AXFHLTTASA-N 2 0 243.351 -0.290 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@H]1COCC[NH2+]1)[C@H](C)[NH3+] ZINC000638614051 352453236 /nfs/dbraw/zinc/45/32/36/352453236.db2.gz OSUSGYQLANQCND-DCAQKATOSA-N 2 0 243.351 -0.290 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H](C)[NH3+] ZINC000638614052 352453223 /nfs/dbraw/zinc/45/32/23/352453223.db2.gz OSUSGYQLANQCND-MXWKQRLJSA-N 2 0 243.351 -0.290 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@H]1COCC[NH2+]1)[C@@H](C)[NH3+] ZINC000638614053 352453028 /nfs/dbraw/zinc/45/30/28/352453028.db2.gz OSUSGYQLANQCND-VWYCJHECSA-N 2 0 243.351 -0.290 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638614384 352453271 /nfs/dbraw/zinc/45/32/71/352453271.db2.gz SJNFTVJLERBSBM-NXEZZACHSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638614385 352453444 /nfs/dbraw/zinc/45/34/44/352453444.db2.gz SJNFTVJLERBSBM-UWVGGRQHSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638614386 352453163 /nfs/dbraw/zinc/45/31/63/352453163.db2.gz SJNFTVJLERBSBM-VHSXEESVSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638614387 352453098 /nfs/dbraw/zinc/45/30/98/352453098.db2.gz SJNFTVJLERBSBM-ZJUUUORDSA-N 2 0 241.335 -0.521 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638614545 352454352 /nfs/dbraw/zinc/45/43/52/352454352.db2.gz UKYKQYPGLAJSQW-BDAKNGLRSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638614546 352454293 /nfs/dbraw/zinc/45/42/93/352454293.db2.gz UKYKQYPGLAJSQW-DTWKUNHWSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638614548 352453961 /nfs/dbraw/zinc/45/39/61/352453961.db2.gz UKYKQYPGLAJSQW-IUCAKERBSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638614550 352454309 /nfs/dbraw/zinc/45/43/09/352454309.db2.gz UKYKQYPGLAJSQW-RKDXNWHRSA-N 2 0 215.297 -0.911 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638614654 352454256 /nfs/dbraw/zinc/45/42/56/352454256.db2.gz WNHZTLQOWKSUIR-KXUCPTDWSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638614655 352454267 /nfs/dbraw/zinc/45/42/67/352454267.db2.gz WNHZTLQOWKSUIR-LPEHRKFASA-N 2 0 227.308 -0.782 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC[C@H]1COCC[NH2+]1 ZINC000638614861 352454086 /nfs/dbraw/zinc/45/40/86/352454086.db2.gz YZDWXWZHLVFZEK-JTQLQIEISA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC[C@@H]1COCC[NH2+]1 ZINC000638614862 352454272 /nfs/dbraw/zinc/45/42/72/352454272.db2.gz YZDWXWZHLVFZEK-SNVBAGLBSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000638614881 352454250 /nfs/dbraw/zinc/45/42/50/352454250.db2.gz ZQUSKECEPKKTNO-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000638614882 352454154 /nfs/dbraw/zinc/45/41/54/352454154.db2.gz ZQUSKECEPKKTNO-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000638614883 352454312 /nfs/dbraw/zinc/45/43/12/352454312.db2.gz ZQUSKECEPKKTNO-QWRGUYRKSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000638614884 352454342 /nfs/dbraw/zinc/45/43/42/352454342.db2.gz ZQUSKECEPKKTNO-WDEREUQCSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000638615321 386194504 /nfs/dbraw/zinc/19/45/04/386194504.db2.gz BMTAILIYYBKTGF-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000638615322 386193837 /nfs/dbraw/zinc/19/38/37/386193837.db2.gz BMTAILIYYBKTGF-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000638615323 386193820 /nfs/dbraw/zinc/19/38/20/386193820.db2.gz BMTAILIYYBKTGF-QWRGUYRKSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000638615324 386193918 /nfs/dbraw/zinc/19/39/18/386193918.db2.gz BMTAILIYYBKTGF-WDEREUQCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615329 386194578 /nfs/dbraw/zinc/19/45/78/386194578.db2.gz BQCODNDGRLLUCQ-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615330 386193417 /nfs/dbraw/zinc/19/34/17/386193417.db2.gz BQCODNDGRLLUCQ-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615331 386193792 /nfs/dbraw/zinc/19/37/92/386193792.db2.gz BQCODNDGRLLUCQ-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615332 386194876 /nfs/dbraw/zinc/19/48/76/386194876.db2.gz BQCODNDGRLLUCQ-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615452 386195078 /nfs/dbraw/zinc/19/50/78/386195078.db2.gz CNHAIEADPUSKMJ-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP CC[NH+](CC)CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615454 386194987 /nfs/dbraw/zinc/19/49/87/386194987.db2.gz CNHAIEADPUSKMJ-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615468 352455627 /nfs/dbraw/zinc/45/56/27/352455627.db2.gz COQCFEIFRRRTJE-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615470 352455217 /nfs/dbraw/zinc/45/52/17/352455217.db2.gz COQCFEIFRRRTJE-UWVGGRQHSA-N 2 0 229.324 -0.521 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615472 352455639 /nfs/dbraw/zinc/45/56/39/352455639.db2.gz COQCFEIFRRRTJE-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615473 352455259 /nfs/dbraw/zinc/45/52/59/352455259.db2.gz COQCFEIFRRRTJE-ZJUUUORDSA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615503 352455609 /nfs/dbraw/zinc/45/56/09/352455609.db2.gz CYKJSZAPBVANNF-AEJSXWLSSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615504 352455502 /nfs/dbraw/zinc/45/55/02/352455502.db2.gz CYKJSZAPBVANNF-GUBZILKMSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615505 352455350 /nfs/dbraw/zinc/45/53/50/352455350.db2.gz CYKJSZAPBVANNF-IVZWLZJFSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615506 352455066 /nfs/dbraw/zinc/45/50/66/352455066.db2.gz CYKJSZAPBVANNF-LPEHRKFASA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638615667 352454223 /nfs/dbraw/zinc/45/42/23/352454223.db2.gz GACYXPNNSZFONZ-GXSJLCMTSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638615668 352454244 /nfs/dbraw/zinc/45/42/44/352454244.db2.gz GACYXPNNSZFONZ-KOLCDFICSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638615669 352454262 /nfs/dbraw/zinc/45/42/62/352454262.db2.gz GACYXPNNSZFONZ-MWLCHTKSSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638615670 352453882 /nfs/dbraw/zinc/45/38/82/352453882.db2.gz GACYXPNNSZFONZ-ONGXEEELSA-N 2 0 227.308 -0.767 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615827 352455113 /nfs/dbraw/zinc/45/51/13/352455113.db2.gz IJNWIBXHQQWBBP-DTWKUNHWSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615831 352455077 /nfs/dbraw/zinc/45/50/77/352455077.db2.gz IJNWIBXHQQWBBP-RKDXNWHRSA-N 2 0 215.297 -0.926 20 0 BBADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000638615877 352455657 /nfs/dbraw/zinc/45/56/57/352455657.db2.gz IZZXBAJVPRDXIV-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000638615880 352455069 /nfs/dbraw/zinc/45/50/69/352455069.db2.gz IZZXBAJVPRDXIV-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638615975 352455183 /nfs/dbraw/zinc/45/51/83/352455183.db2.gz KTMGGHDHVCZAPG-CMPLNLGQSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638615977 352455223 /nfs/dbraw/zinc/45/52/23/352455223.db2.gz KTMGGHDHVCZAPG-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638615979 352455342 /nfs/dbraw/zinc/45/53/42/352455342.db2.gz KTMGGHDHVCZAPG-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638615981 352455085 /nfs/dbraw/zinc/45/50/85/352455085.db2.gz KTMGGHDHVCZAPG-ZYHUDNBSSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616018 352455563 /nfs/dbraw/zinc/45/55/63/352455563.db2.gz LGIOLNOFMNNEDX-AXFHLTTASA-N 2 0 241.335 -0.521 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616019 352455056 /nfs/dbraw/zinc/45/50/56/352455056.db2.gz LGIOLNOFMNNEDX-DCAQKATOSA-N 2 0 241.335 -0.521 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616020 352455099 /nfs/dbraw/zinc/45/50/99/352455099.db2.gz LGIOLNOFMNNEDX-MXWKQRLJSA-N 2 0 241.335 -0.521 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616021 352455101 /nfs/dbraw/zinc/45/51/01/352455101.db2.gz LGIOLNOFMNNEDX-VWYCJHECSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000638616223 352456639 /nfs/dbraw/zinc/45/66/39/352456639.db2.gz OTDVXQXYMXFMNS-CMPLNLGQSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000638616224 352456754 /nfs/dbraw/zinc/45/67/54/352456754.db2.gz OTDVXQXYMXFMNS-JQWIXIFHSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000638616225 352456605 /nfs/dbraw/zinc/45/66/05/352456605.db2.gz OTDVXQXYMXFMNS-PWSUYJOCSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]C1 ZINC000638616226 352456171 /nfs/dbraw/zinc/45/61/71/352456171.db2.gz OTDVXQXYMXFMNS-ZYHUDNBSSA-N 2 0 241.335 -0.519 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616427 352456123 /nfs/dbraw/zinc/45/61/23/352456123.db2.gz RBEBEGOVVQICIS-AEJSXWLSSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616428 352456150 /nfs/dbraw/zinc/45/61/50/352456150.db2.gz RBEBEGOVVQICIS-BBBLOLIVSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616429 352456191 /nfs/dbraw/zinc/45/61/91/352456191.db2.gz RBEBEGOVVQICIS-GUBZILKMSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616430 352456085 /nfs/dbraw/zinc/45/60/85/352456085.db2.gz RBEBEGOVVQICIS-UTLUCORTSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000638616457 352456099 /nfs/dbraw/zinc/45/60/99/352456099.db2.gz RJADFTWXYQWBMV-GHMZBOCLSA-N 2 0 243.351 -0.323 20 0 BBADRP CC(C)[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000638616464 352456615 /nfs/dbraw/zinc/45/66/15/352456615.db2.gz RJADFTWXYQWBMV-MNOVXSKESA-N 2 0 243.351 -0.323 20 0 BBADRP CC(C)[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000638616466 352456819 /nfs/dbraw/zinc/45/68/19/352456819.db2.gz RJADFTWXYQWBMV-QWRGUYRKSA-N 2 0 243.351 -0.323 20 0 BBADRP CC(C)[C@H](C(=O)NC[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000638616469 352456130 /nfs/dbraw/zinc/45/61/30/352456130.db2.gz RJADFTWXYQWBMV-WDEREUQCSA-N 2 0 243.351 -0.323 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638616582 352456563 /nfs/dbraw/zinc/45/65/63/352456563.db2.gz NYPCTBNUIVWRPW-GMTAPVOTSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638616583 352456335 /nfs/dbraw/zinc/45/63/35/352456335.db2.gz NYPCTBNUIVWRPW-MXWKQRLJSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638616584 352456361 /nfs/dbraw/zinc/45/63/61/352456361.db2.gz NYPCTBNUIVWRPW-OUAUKWLOSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638616585 352456656 /nfs/dbraw/zinc/45/66/56/352456656.db2.gz NYPCTBNUIVWRPW-VWYCJHECSA-N 2 0 241.335 -0.521 20 0 BBADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616591 352456248 /nfs/dbraw/zinc/45/62/48/352456248.db2.gz RNVUOUICABUTPP-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616592 352456485 /nfs/dbraw/zinc/45/64/85/352456485.db2.gz RNVUOUICABUTPP-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000638616707 352456743 /nfs/dbraw/zinc/45/67/43/352456743.db2.gz TZSFVCODMRAQJC-NEPJUHHUSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000638616708 352456233 /nfs/dbraw/zinc/45/62/33/352456233.db2.gz TZSFVCODMRAQJC-NWDGAFQWSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000638616713 352456874 /nfs/dbraw/zinc/45/68/74/352456874.db2.gz TZSFVCODMRAQJC-RYUDHWBXSA-N 2 0 249.314 -0.209 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000638616715 352456521 /nfs/dbraw/zinc/45/65/21/352456521.db2.gz TZSFVCODMRAQJC-VXGBXAGGSA-N 2 0 249.314 -0.209 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616899 352457379 /nfs/dbraw/zinc/45/73/79/352457379.db2.gz ULZRWNHCJAZVEX-BDAKNGLRSA-N 2 0 227.308 -0.911 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616900 352457579 /nfs/dbraw/zinc/45/75/79/352457579.db2.gz ULZRWNHCJAZVEX-DTWKUNHWSA-N 2 0 227.308 -0.911 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616901 352457249 /nfs/dbraw/zinc/45/72/49/352457249.db2.gz ULZRWNHCJAZVEX-IUCAKERBSA-N 2 0 227.308 -0.911 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616902 352457650 /nfs/dbraw/zinc/45/76/50/352457650.db2.gz ULZRWNHCJAZVEX-RKDXNWHRSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638617001 352455436 /nfs/dbraw/zinc/45/54/36/352455436.db2.gz VHEBSEOWDJPGBV-CIUDSAMLSA-N 2 0 215.297 -0.926 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)[C@H](C)[NH3+] ZINC000638617002 352455252 /nfs/dbraw/zinc/45/52/52/352455252.db2.gz VHEBSEOWDJPGBV-HRDYMLBCSA-N 2 0 215.297 -0.926 20 0 BBADRP C[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)[C@H](C)[NH3+] ZINC000638617004 352455235 /nfs/dbraw/zinc/45/52/35/352455235.db2.gz VHEBSEOWDJPGBV-VGMNWLOBSA-N 2 0 215.297 -0.926 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638617006 352455052 /nfs/dbraw/zinc/45/50/52/352455052.db2.gz VHEBSEOWDJPGBV-XHNCKOQMSA-N 2 0 215.297 -0.926 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638617041 352455461 /nfs/dbraw/zinc/45/54/61/352455461.db2.gz VXQRQNTUDITGKQ-CKYFFXLPSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638617044 352455551 /nfs/dbraw/zinc/45/55/51/352455551.db2.gz VXQRQNTUDITGKQ-FOGDFJRCSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638617045 352455364 /nfs/dbraw/zinc/45/53/64/352455364.db2.gz VXQRQNTUDITGKQ-JFGNBEQYSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638617047 352455119 /nfs/dbraw/zinc/45/51/19/352455119.db2.gz VXQRQNTUDITGKQ-SCVCMEIPSA-N 2 0 239.319 -0.909 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638617280 352459255 /nfs/dbraw/zinc/45/92/55/352459255.db2.gz YATWWXAYOLIFQG-MRVPVSSYSA-N 2 0 236.275 -0.788 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638617281 352459046 /nfs/dbraw/zinc/45/90/46/352459046.db2.gz YATWWXAYOLIFQG-QMMMGPOBSA-N 2 0 236.275 -0.788 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000638617421 352457371 /nfs/dbraw/zinc/45/73/71/352457371.db2.gz ZIQWMUDWPBADBS-NXEZZACHSA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000638617422 352457610 /nfs/dbraw/zinc/45/76/10/352457610.db2.gz ZIQWMUDWPBADBS-ZJUUUORDSA-N 2 0 227.308 -0.909 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638617477 352457348 /nfs/dbraw/zinc/45/73/48/352457348.db2.gz HSEISVHMLDWATJ-JTQLQIEISA-N 2 0 229.324 -0.569 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638617478 352457751 /nfs/dbraw/zinc/45/77/51/352457751.db2.gz HSEISVHMLDWATJ-SNVBAGLBSA-N 2 0 229.324 -0.569 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638617481 352457692 /nfs/dbraw/zinc/45/76/92/352457692.db2.gz HTWKMHRLSAEYPZ-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638617482 352457737 /nfs/dbraw/zinc/45/77/37/352457737.db2.gz HTWKMHRLSAEYPZ-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638618094 352458215 /nfs/dbraw/zinc/45/82/15/352458215.db2.gz ZOKOWEGHEHSABG-AXFHLTTASA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638618095 352458291 /nfs/dbraw/zinc/45/82/91/352458291.db2.gz ZOKOWEGHEHSABG-DCAQKATOSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638618098 352458114 /nfs/dbraw/zinc/45/81/14/352458114.db2.gz ZOKOWEGHEHSABG-GARJFASQSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638618101 352458233 /nfs/dbraw/zinc/45/82/33/352458233.db2.gz ZOKOWEGHEHSABG-HBNTYKKESA-N 2 0 241.335 -0.521 20 0 BBADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000638623246 352461169 /nfs/dbraw/zinc/46/11/69/352461169.db2.gz AXKOAFRGDSLDDH-LLVKDONJSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC000638623247 352461204 /nfs/dbraw/zinc/46/12/04/352461204.db2.gz AXKOAFRGDSLDDH-NSHDSACASA-N 2 0 241.335 -0.519 20 0 BBADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638623281 352461124 /nfs/dbraw/zinc/46/11/24/352461124.db2.gz CCRMDDRGWUYCPM-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)([NH3+])CCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638623282 352460666 /nfs/dbraw/zinc/46/06/66/352460666.db2.gz CCRMDDRGWUYCPM-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000638623283 352461194 /nfs/dbraw/zinc/46/11/94/352461194.db2.gz CFZGGCNQBROBSP-GXSJLCMTSA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000638623284 352460716 /nfs/dbraw/zinc/46/07/16/352460716.db2.gz CFZGGCNQBROBSP-KOLCDFICSA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000638623285 352460663 /nfs/dbraw/zinc/46/06/63/352460663.db2.gz CFZGGCNQBROBSP-MWLCHTKSSA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000638623286 352460857 /nfs/dbraw/zinc/46/08/57/352460857.db2.gz CFZGGCNQBROBSP-ONGXEEELSA-N 2 0 227.308 -0.909 20 0 BBADRP CC(C)[NH2+]CCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638623458 352460873 /nfs/dbraw/zinc/46/08/73/352460873.db2.gz FKBZLCNGRDRCNW-JTQLQIEISA-N 2 0 229.324 -0.521 20 0 BBADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638623459 352461072 /nfs/dbraw/zinc/46/10/72/352461072.db2.gz FKBZLCNGRDRCNW-SNVBAGLBSA-N 2 0 229.324 -0.521 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638623643 352461725 /nfs/dbraw/zinc/46/17/25/352461725.db2.gz HJHDPRNDDNCEDQ-GXSJLCMTSA-N 2 0 229.324 -0.392 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638623644 352461669 /nfs/dbraw/zinc/46/16/69/352461669.db2.gz HJHDPRNDDNCEDQ-KOLCDFICSA-N 2 0 229.324 -0.392 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638623645 352461977 /nfs/dbraw/zinc/46/19/77/352461977.db2.gz HJHDPRNDDNCEDQ-MWLCHTKSSA-N 2 0 229.324 -0.392 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638623646 352461986 /nfs/dbraw/zinc/46/19/86/352461986.db2.gz HJHDPRNDDNCEDQ-ONGXEEELSA-N 2 0 229.324 -0.392 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638623659 352461845 /nfs/dbraw/zinc/46/18/45/352461845.db2.gz HWYHQDXEXKXRFY-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP C[NH2+]CCCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638623660 352462054 /nfs/dbraw/zinc/46/20/54/352462054.db2.gz HWYHQDXEXKXRFY-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638623673 352461769 /nfs/dbraw/zinc/46/17/69/352461769.db2.gz IJNWIBXHQQWBBP-BDAKNGLRSA-N 2 0 215.297 -0.926 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638623674 352461757 /nfs/dbraw/zinc/46/17/57/352461757.db2.gz IJNWIBXHQQWBBP-IUCAKERBSA-N 2 0 215.297 -0.926 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC[C@H]1COCC[NH2+]1 ZINC000638623684 352462119 /nfs/dbraw/zinc/46/21/19/352462119.db2.gz IVTMSNMLRCTRKY-JTQLQIEISA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1COCC[NH2+]1 ZINC000638623685 352461738 /nfs/dbraw/zinc/46/17/38/352461738.db2.gz IVTMSNMLRCTRKY-SNVBAGLBSA-N 2 0 227.308 -0.909 20 0 BBADRP CC(C)([NH3+])CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638623893 352461677 /nfs/dbraw/zinc/46/16/77/352461677.db2.gz LSOZBLUEOPVQTR-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)([NH3+])CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638623894 352461599 /nfs/dbraw/zinc/46/15/99/352461599.db2.gz LSOZBLUEOPVQTR-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638624238 352461952 /nfs/dbraw/zinc/46/19/52/352461952.db2.gz PRMBRSQOTDHAQY-UWVGGRQHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638624240 352462063 /nfs/dbraw/zinc/46/20/63/352462063.db2.gz PRMBRSQOTDHAQY-ZJUUUORDSA-N 2 0 229.324 -0.536 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000638624304 352463492 /nfs/dbraw/zinc/46/34/92/352463492.db2.gz RNYUYICQWOSVTB-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000638624305 352463689 /nfs/dbraw/zinc/46/36/89/352463689.db2.gz RNYUYICQWOSVTB-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000638624306 352463790 /nfs/dbraw/zinc/46/37/90/352463790.db2.gz RNYUYICQWOSVTB-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000638624307 352463953 /nfs/dbraw/zinc/46/39/53/352463953.db2.gz RNYUYICQWOSVTB-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638624513 352462881 /nfs/dbraw/zinc/46/28/81/352462881.db2.gz SXQOKFGWSHQDLA-DTWKUNHWSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638624514 352462781 /nfs/dbraw/zinc/46/27/81/352462781.db2.gz SXQOKFGWSHQDLA-RKDXNWHRSA-N 2 0 229.324 -0.536 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000638624524 352462836 /nfs/dbraw/zinc/46/28/36/352462836.db2.gz UBVGHEGLUWDBPE-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000638624525 352463010 /nfs/dbraw/zinc/46/30/10/352463010.db2.gz UBVGHEGLUWDBPE-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000638624526 352462659 /nfs/dbraw/zinc/46/26/59/352462659.db2.gz UBVGHEGLUWDBPE-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000638624527 352462734 /nfs/dbraw/zinc/46/27/34/352462734.db2.gz UBVGHEGLUWDBPE-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP [NH3+]C1(C(=O)NC[C@H]2COCC[NH2+]2)CCCCC1 ZINC000638624545 352462697 /nfs/dbraw/zinc/46/26/97/352462697.db2.gz UTTBFMZXGVKKLC-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000638624546 352462670 /nfs/dbraw/zinc/46/26/70/352462670.db2.gz UTTBFMZXGVKKLC-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2COCC[NH2+]2)CCCC1 ZINC000638624578 352462595 /nfs/dbraw/zinc/46/25/95/352462595.db2.gz VUSAZCVFRCLXPW-SECBINFHSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]C1(C(=O)NC[C@H]2COCC[NH2+]2)CCCC1 ZINC000638624579 352462716 /nfs/dbraw/zinc/46/27/16/352462716.db2.gz VUSAZCVFRCLXPW-VIFPVBQESA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638624718 352462866 /nfs/dbraw/zinc/46/28/66/352462866.db2.gz WNGNMUUDWICLEF-GMTAPVOTSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638624720 352463071 /nfs/dbraw/zinc/46/30/71/352463071.db2.gz WNGNMUUDWICLEF-MXWKQRLJSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000638624902 352462797 /nfs/dbraw/zinc/46/27/97/352462797.db2.gz YSSDTARRPZZBBV-GFCCVEGCSA-N 2 0 249.314 -0.137 20 0 BBADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000638624903 352462850 /nfs/dbraw/zinc/46/28/50/352462850.db2.gz YSSDTARRPZZBBV-LBPRGKRZSA-N 2 0 249.314 -0.137 20 0 BBADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638625047 352462709 /nfs/dbraw/zinc/46/27/09/352462709.db2.gz MMSZJMHYFAXOPY-MRVPVSSYSA-N 2 0 215.297 -0.924 20 0 BBADRP CC(C)(C[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638625148 352463486 /nfs/dbraw/zinc/46/34/86/352463486.db2.gz MMSZJMHYFAXOPY-QMMMGPOBSA-N 2 0 215.297 -0.924 20 0 BBADRP [NH3+]CC1(C(=O)NC[C@H]2COCC[NH2+]2)CCCC1 ZINC000638625572 352463765 /nfs/dbraw/zinc/46/37/65/352463765.db2.gz QTSPDXCMCDNJBS-JTQLQIEISA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]CC1(C(=O)NC[C@@H]2COCC[NH2+]2)CCCC1 ZINC000638625574 352463477 /nfs/dbraw/zinc/46/34/77/352463477.db2.gz QTSPDXCMCDNJBS-SNVBAGLBSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]C1(CC(=O)NC[C@@H]2COCC[NH2+]2)CCC1 ZINC000638625932 352463520 /nfs/dbraw/zinc/46/35/20/352463520.db2.gz VNTBFQIYRBDVBY-SECBINFHSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]C1(CC(=O)NC[C@H]2COCC[NH2+]2)CCC1 ZINC000638625933 352463742 /nfs/dbraw/zinc/46/37/42/352463742.db2.gz VNTBFQIYRBDVBY-VIFPVBQESA-N 2 0 227.308 -0.638 20 0 BBADRP CC[C@@H](C(=O)NC1(C[NH3+])CCOCC1)[NH+](C)C ZINC000638631084 352473656 /nfs/dbraw/zinc/47/36/56/352473656.db2.gz GIYSAPJIPXMKRH-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@H](C(=O)NC1(C[NH3+])CCOCC1)[NH+](C)C ZINC000638631087 352473807 /nfs/dbraw/zinc/47/38/07/352473807.db2.gz GIYSAPJIPXMKRH-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H](C(=O)NC1(C[NH3+])CCOCC1)[NH+](C)C ZINC000638632752 352474832 /nfs/dbraw/zinc/47/48/32/352474832.db2.gz SQNAQRBHHBSIFY-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H](C(=O)NC1(C[NH3+])CCOCC1)[NH+](C)C ZINC000638632754 352474521 /nfs/dbraw/zinc/47/45/21/352474521.db2.gz SQNAQRBHHBSIFY-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP CCC[N@H+](C)CC(=O)NC1(C[NH3+])CCOCC1 ZINC000638633986 386248164 /nfs/dbraw/zinc/24/81/64/386248164.db2.gz KNSGYQWUMXTHIQ-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH3+])CCOCC1 ZINC000638634318 352477422 /nfs/dbraw/zinc/47/74/22/352477422.db2.gz OBDLYPDYKMLQHJ-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[NH+](CC)CC(=O)NC1(C[NH3+])CCOCC1 ZINC000638634642 352476099 /nfs/dbraw/zinc/47/60/99/352476099.db2.gz SLPJHOGBDPURPB-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NC1(C[NH3+])CCOCC1 ZINC000638634954 352476164 /nfs/dbraw/zinc/47/61/64/352476164.db2.gz WFIQPBPTYPCIGJ-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NC1(C[NH3+])CCOCC1 ZINC000638634955 352475972 /nfs/dbraw/zinc/47/59/72/352475972.db2.gz WFIQPBPTYPCIGJ-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638634996 352476200 /nfs/dbraw/zinc/47/62/00/352476200.db2.gz XFUUFHPPBPYXIW-SECBINFHSA-N 2 0 241.335 -0.392 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC000638634997 352476267 /nfs/dbraw/zinc/47/62/67/352476267.db2.gz XFUUFHPPBPYXIW-VIFPVBQESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]CC1(NC(=O)C[NH2+]CC2CC2)CCOCC1 ZINC000638637245 352478339 /nfs/dbraw/zinc/47/83/39/352478339.db2.gz PPKBRVGSUKDQGQ-UHFFFAOYSA-N 2 0 241.335 -0.390 20 0 BBADRP CC(C)[NH2+]CCC(=O)NC1(C[NH3+])CCOCC1 ZINC000638637859 352479320 /nfs/dbraw/zinc/47/93/20/352479320.db2.gz XGRLEEKIHGXMQP-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)c2cnc(C[NH3+])nc2)C[NH2+]1 ZINC000638638023 352479578 /nfs/dbraw/zinc/47/95/78/352479578.db2.gz BHBSEIIHCBCYNU-PSASIEDQSA-N 2 0 249.318 -0.194 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)C[NH2+]1 ZINC000638638024 352480116 /nfs/dbraw/zinc/48/01/16/352480116.db2.gz BHBSEIIHCBCYNU-SCZZXKLOSA-N 2 0 249.318 -0.194 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)c2cnc(C[NH3+])nc2)C[NH2+]1 ZINC000638638025 352480209 /nfs/dbraw/zinc/48/02/09/352480209.db2.gz BHBSEIIHCBCYNU-WCBMZHEXSA-N 2 0 249.318 -0.194 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)C[NH2+]1 ZINC000638638026 352480121 /nfs/dbraw/zinc/48/01/21/352480121.db2.gz BHBSEIIHCBCYNU-WPRPVWTQSA-N 2 0 249.318 -0.194 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[NH2+]1 ZINC000638638425 352479940 /nfs/dbraw/zinc/47/99/40/352479940.db2.gz CZLSHHKGQPQGEV-AATLWQCWSA-N 2 0 227.308 -0.641 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[NH2+]1 ZINC000638638427 352480041 /nfs/dbraw/zinc/48/00/41/352480041.db2.gz CZLSHHKGQPQGEV-DOLQZWNJSA-N 2 0 227.308 -0.641 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[NH2+]1 ZINC000638638429 352480181 /nfs/dbraw/zinc/48/01/81/352480181.db2.gz CZLSHHKGQPQGEV-QCLAVDOMSA-N 2 0 227.308 -0.641 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[NH2+]1 ZINC000638638430 352479964 /nfs/dbraw/zinc/47/99/64/352479964.db2.gz CZLSHHKGQPQGEV-XFWSIPNHSA-N 2 0 227.308 -0.641 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638638772 352481094 /nfs/dbraw/zinc/48/10/94/352481094.db2.gz FWTPTCSBWJCFPL-AXFHLTTASA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638638773 352480885 /nfs/dbraw/zinc/48/08/85/352480885.db2.gz FWTPTCSBWJCFPL-DCAQKATOSA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638638774 352480973 /nfs/dbraw/zinc/48/09/73/352480973.db2.gz FWTPTCSBWJCFPL-MXWKQRLJSA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638638775 352480909 /nfs/dbraw/zinc/48/09/09/352480909.db2.gz FWTPTCSBWJCFPL-VWYCJHECSA-N 2 0 243.351 -0.005 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C[NH2+]1 ZINC000638640249 352484105 /nfs/dbraw/zinc/48/41/05/352484105.db2.gz QLBBBHWFZJSNTD-CKYFFXLPSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C[NH2+]1 ZINC000638640250 352484059 /nfs/dbraw/zinc/48/40/59/352484059.db2.gz QLBBBHWFZJSNTD-FOGDFJRCSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C[NH2+]1 ZINC000638640251 352484180 /nfs/dbraw/zinc/48/41/80/352484180.db2.gz QLBBBHWFZJSNTD-JFGNBEQYSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)C[NH2+]1 ZINC000638640253 352484118 /nfs/dbraw/zinc/48/41/18/352484118.db2.gz QLBBBHWFZJSNTD-SCVCMEIPSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C[NH2+]1 ZINC000638640294 352484030 /nfs/dbraw/zinc/48/40/30/352484030.db2.gz AUUWCDGUNCWECW-GMTAPVOTSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C[NH2+]1 ZINC000638640296 352484090 /nfs/dbraw/zinc/48/40/90/352484090.db2.gz AUUWCDGUNCWECW-MXWKQRLJSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)C[NH2+]1 ZINC000638640298 352484049 /nfs/dbraw/zinc/48/40/49/352484049.db2.gz AUUWCDGUNCWECW-OUAUKWLOSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)C[NH2+]1 ZINC000638640301 352483999 /nfs/dbraw/zinc/48/39/99/352483999.db2.gz AUUWCDGUNCWECW-VWYCJHECSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC000638640791 352482549 /nfs/dbraw/zinc/48/25/49/352482549.db2.gz BWALXIIRXIQUQO-APLZJWDSSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC000638640792 352482317 /nfs/dbraw/zinc/48/23/17/352482317.db2.gz BWALXIIRXIQUQO-LADJIXMOSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC000638640795 352482538 /nfs/dbraw/zinc/48/25/38/352482538.db2.gz BWALXIIRXIQUQO-OGBGREFGSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC000638640798 352482355 /nfs/dbraw/zinc/48/23/55/352482355.db2.gz BWALXIIRXIQUQO-XXFSISAASA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C[NH2+]1 ZINC000638641545 352484724 /nfs/dbraw/zinc/48/47/24/352484724.db2.gz DITXQCURUVICRZ-GMTAPVOTSA-N 2 0 242.367 -0.478 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C[NH2+]1 ZINC000638641546 352484958 /nfs/dbraw/zinc/48/49/58/352484958.db2.gz DITXQCURUVICRZ-MXWKQRLJSA-N 2 0 242.367 -0.478 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C[NH2+]1 ZINC000638641547 352484685 /nfs/dbraw/zinc/48/46/85/352484685.db2.gz DITXQCURUVICRZ-OUAUKWLOSA-N 2 0 242.367 -0.478 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C[NH2+]1 ZINC000638641548 352484838 /nfs/dbraw/zinc/48/48/38/352484838.db2.gz DITXQCURUVICRZ-VWYCJHECSA-N 2 0 242.367 -0.478 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[NH2+]1 ZINC000638642396 352484126 /nfs/dbraw/zinc/48/41/26/352484126.db2.gz JCCPPPDQSJBEGV-HWUMTFDVSA-N 2 0 223.320 -0.007 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[NH2+]1 ZINC000638642402 352484056 /nfs/dbraw/zinc/48/40/56/352484056.db2.gz JCCPPPDQSJBEGV-ILAIQSSSSA-N 2 0 223.320 -0.007 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[NH2+]1 ZINC000638642405 352484028 /nfs/dbraw/zinc/48/40/28/352484028.db2.gz JCCPPPDQSJBEGV-LXUNUROVSA-N 2 0 223.320 -0.007 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[NH2+]1 ZINC000638642406 352484054 /nfs/dbraw/zinc/48/40/54/352484054.db2.gz JCCPPPDQSJBEGV-NZFPMDFQSA-N 2 0 223.320 -0.007 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638642576 352484994 /nfs/dbraw/zinc/48/49/94/352484994.db2.gz JOTPPVSUBJAOJE-CIUDSAMLSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C[NH2+]1 ZINC000638642971 352486586 /nfs/dbraw/zinc/48/65/86/352486586.db2.gz XXIZILSCZBYZRM-AATLWQCWSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C[NH2+]1 ZINC000638642972 352487051 /nfs/dbraw/zinc/48/70/51/352487051.db2.gz XXIZILSCZBYZRM-KYXWUPHJSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C[NH2+]1 ZINC000638642974 352486780 /nfs/dbraw/zinc/48/67/80/352486780.db2.gz XXIZILSCZBYZRM-XKNYDFJKSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C[NH2+]1 ZINC000638642976 352486574 /nfs/dbraw/zinc/48/65/74/352486574.db2.gz XXIZILSCZBYZRM-ZYUZMQFOSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[NH2+]1 ZINC000638643026 352487055 /nfs/dbraw/zinc/48/70/55/352487055.db2.gz YPZUXFPQRZFFRG-LMLFDSFASA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C[NH2+]1 ZINC000638643027 352486695 /nfs/dbraw/zinc/48/66/95/352486695.db2.gz YPZUXFPQRZFFRG-RCWTZXSCSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C[NH2+]1 ZINC000638643028 352486987 /nfs/dbraw/zinc/48/69/87/352486987.db2.gz YPZUXFPQRZFFRG-VPOLOUISSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])C[NH2+]1 ZINC000638643029 352486962 /nfs/dbraw/zinc/48/69/62/352486962.db2.gz YPZUXFPQRZFFRG-YTWAJWBKSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638643109 398146756 /nfs/dbraw/zinc/14/67/56/398146756.db2.gz KQZUASAEGYBQRB-IVZWLZJFSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638643110 398146878 /nfs/dbraw/zinc/14/68/78/398146878.db2.gz KQZUASAEGYBQRB-KXUCPTDWSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638643111 398147028 /nfs/dbraw/zinc/14/70/28/398147028.db2.gz KQZUASAEGYBQRB-LPEHRKFASA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638643112 398146563 /nfs/dbraw/zinc/14/65/63/398146563.db2.gz KQZUASAEGYBQRB-OPRDCNLKSA-N 2 0 227.308 -0.769 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638644150 352486754 /nfs/dbraw/zinc/48/67/54/352486754.db2.gz OFCYYSMQVFLOOC-AEJSXWLSSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638644151 352487066 /nfs/dbraw/zinc/48/70/66/352487066.db2.gz OFCYYSMQVFLOOC-BBBLOLIVSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638644152 352486793 /nfs/dbraw/zinc/48/67/93/352486793.db2.gz OFCYYSMQVFLOOC-GUBZILKMSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638644153 352486876 /nfs/dbraw/zinc/48/68/76/352486876.db2.gz OFCYYSMQVFLOOC-UTLUCORTSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C[NH2+]1 ZINC000638646136 352489934 /nfs/dbraw/zinc/48/99/34/352489934.db2.gz YKLUJYSRVLOMNR-NXEZZACHSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C[NH2+]1 ZINC000638646137 352489566 /nfs/dbraw/zinc/48/95/66/352489566.db2.gz YKLUJYSRVLOMNR-UWVGGRQHSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)C[NH2+]1 ZINC000638646138 352489679 /nfs/dbraw/zinc/48/96/79/352489679.db2.gz YKLUJYSRVLOMNR-VHSXEESVSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)C[NH2+]1 ZINC000638646139 352489532 /nfs/dbraw/zinc/48/95/32/352489532.db2.gz YKLUJYSRVLOMNR-ZJUUUORDSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C[NH2+]1 ZINC000638646256 352489249 /nfs/dbraw/zinc/48/92/49/352489249.db2.gz YOUAQLRMOZIURK-NXEZZACHSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)C[NH2+]1 ZINC000638646257 352489200 /nfs/dbraw/zinc/48/92/00/352489200.db2.gz YOUAQLRMOZIURK-UWVGGRQHSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)C[NH2+]1 ZINC000638646258 352488890 /nfs/dbraw/zinc/48/88/90/352488890.db2.gz YOUAQLRMOZIURK-VHSXEESVSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)C[NH2+]1 ZINC000638646260 352489022 /nfs/dbraw/zinc/48/90/22/352489022.db2.gz YOUAQLRMOZIURK-ZJUUUORDSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638652797 352494171 /nfs/dbraw/zinc/49/41/71/352494171.db2.gz AAZUGNKCLDTPED-GMTAPVOTSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638652798 352494016 /nfs/dbraw/zinc/49/40/16/352494016.db2.gz AAZUGNKCLDTPED-MXWKQRLJSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638652799 352493936 /nfs/dbraw/zinc/49/39/36/352493936.db2.gz AAZUGNKCLDTPED-OUAUKWLOSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638652800 352493894 /nfs/dbraw/zinc/49/38/94/352493894.db2.gz AAZUGNKCLDTPED-VWYCJHECSA-N 2 0 241.335 -0.378 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653168 352494632 /nfs/dbraw/zinc/49/46/32/352494632.db2.gz DHGPXUOQERBGQN-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638653169 352494764 /nfs/dbraw/zinc/49/47/64/352494764.db2.gz DHGPXUOQERBGQN-UWVGGRQHSA-N 2 0 229.324 -0.521 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638653170 352494445 /nfs/dbraw/zinc/49/44/45/352494445.db2.gz DHGPXUOQERBGQN-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653171 352494870 /nfs/dbraw/zinc/49/48/70/352494870.db2.gz DHGPXUOQERBGQN-ZJUUUORDSA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C[NH2+]1 ZINC000638653384 352494623 /nfs/dbraw/zinc/49/46/23/352494623.db2.gz XXIZILSCZBYZRM-AXTSPUMRSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C[NH2+]1 ZINC000638653385 352494910 /nfs/dbraw/zinc/49/49/10/352494910.db2.gz XXIZILSCZBYZRM-DOLQZWNJSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C[NH2+]1 ZINC000638653386 352495023 /nfs/dbraw/zinc/49/50/23/352495023.db2.gz XXIZILSCZBYZRM-IMSYWVGJSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C[NH2+]1 ZINC000638653387 352494790 /nfs/dbraw/zinc/49/47/90/352494790.db2.gz XXIZILSCZBYZRM-QEYWKRMJSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C[NH2+]1 ZINC000638653596 352494501 /nfs/dbraw/zinc/49/45/01/352494501.db2.gz YGYNKHYMMWAGRQ-BDAKNGLRSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C[NH2+]1 ZINC000638653598 352494826 /nfs/dbraw/zinc/49/48/26/352494826.db2.gz YGYNKHYMMWAGRQ-DTWKUNHWSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C[NH2+]1 ZINC000638653600 352495021 /nfs/dbraw/zinc/49/50/21/352495021.db2.gz YGYNKHYMMWAGRQ-IUCAKERBSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C[NH2+]1 ZINC000638653602 352494933 /nfs/dbraw/zinc/49/49/33/352494933.db2.gz YGYNKHYMMWAGRQ-RKDXNWHRSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638653775 352495610 /nfs/dbraw/zinc/49/56/10/352495610.db2.gz HFNGSFHPTXKUCK-AEJSXWLSSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638653776 352495178 /nfs/dbraw/zinc/49/51/78/352495178.db2.gz HFNGSFHPTXKUCK-BBBLOLIVSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638653777 352495379 /nfs/dbraw/zinc/49/53/79/352495379.db2.gz HFNGSFHPTXKUCK-GUBZILKMSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638653778 352495588 /nfs/dbraw/zinc/49/55/88/352495588.db2.gz HFNGSFHPTXKUCK-IVZWLZJFSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638653779 352495624 /nfs/dbraw/zinc/49/56/24/352495624.db2.gz HFNGSFHPTXKUCK-KXUCPTDWSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638653780 352495451 /nfs/dbraw/zinc/49/54/51/352495451.db2.gz HFNGSFHPTXKUCK-LPEHRKFASA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638653781 352495420 /nfs/dbraw/zinc/49/54/20/352495420.db2.gz HFNGSFHPTXKUCK-OPRDCNLKSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638653782 352495474 /nfs/dbraw/zinc/49/54/74/352495474.db2.gz HFNGSFHPTXKUCK-UTLUCORTSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)COCC[NH3+])C[NH2+]1 ZINC000638654185 352496923 /nfs/dbraw/zinc/49/69/23/352496923.db2.gz KFLGZBIHVBGWED-BDAKNGLRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)COCC[NH3+])C[NH2+]1 ZINC000638654186 352497043 /nfs/dbraw/zinc/49/70/43/352497043.db2.gz KFLGZBIHVBGWED-DTWKUNHWSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)COCC[NH3+])C[NH2+]1 ZINC000638654187 352496587 /nfs/dbraw/zinc/49/65/87/352496587.db2.gz KFLGZBIHVBGWED-IUCAKERBSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)COCC[NH3+])C[NH2+]1 ZINC000638654188 352496559 /nfs/dbraw/zinc/49/65/59/352496559.db2.gz KFLGZBIHVBGWED-RKDXNWHRSA-N 2 0 215.297 -0.782 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638654210 352496934 /nfs/dbraw/zinc/49/69/34/352496934.db2.gz KQZUASAEGYBQRB-BBBLOLIVSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC000638654211 352496915 /nfs/dbraw/zinc/49/69/15/352496915.db2.gz KQZUASAEGYBQRB-UTLUCORTSA-N 2 0 227.308 -0.769 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638655464 352496689 /nfs/dbraw/zinc/49/66/89/352496689.db2.gz AJUUKUBWGMNJLN-GHMZBOCLSA-N 2 0 243.351 -0.015 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638655466 352496834 /nfs/dbraw/zinc/49/68/34/352496834.db2.gz AJUUKUBWGMNJLN-MNOVXSKESA-N 2 0 243.351 -0.015 20 0 BBADRP CC(C)([NH3+])CCC(=O)NCCOCCC[NH3+] ZINC000638655700 352498341 /nfs/dbraw/zinc/49/83/41/352498341.db2.gz CJNARRKTLMMQAM-UHFFFAOYSA-N 2 0 231.340 -0.015 20 0 BBADRP [NH3+]CCCOCCNC(=O)CC1([NH3+])CCC1 ZINC000638656168 352498438 /nfs/dbraw/zinc/49/84/38/352498438.db2.gz DTGMPRWTEGGPJY-UHFFFAOYSA-N 2 0 229.324 -0.261 20 0 BBADRP [NH3+]CCCOCCNC(=O)CCC[NH3+] ZINC000638656336 352498778 /nfs/dbraw/zinc/49/87/78/352498778.db2.gz GKAXPWGEULOECS-UHFFFAOYSA-N 2 0 203.286 -0.793 20 0 BBADRP C[NH2+]CCCC(=O)NCCOCCC[NH3+] ZINC000638656356 352498376 /nfs/dbraw/zinc/49/83/76/352498376.db2.gz GULSFNHRZKSNGB-UHFFFAOYSA-N 2 0 217.313 -0.532 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NCCOCCC[NH3+] ZINC000638656392 352499147 /nfs/dbraw/zinc/49/91/47/352499147.db2.gz HLDSOWVLNSRUHP-MRVPVSSYSA-N 2 0 203.286 -0.795 20 0 BBADRP C[C@H]([NH3+])CC(=O)NCCOCCC[NH3+] ZINC000638656393 352499203 /nfs/dbraw/zinc/49/92/03/352499203.db2.gz HLDSOWVLNSRUHP-QMMMGPOBSA-N 2 0 203.286 -0.795 20 0 BBADRP CC(C)([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638656550 352497286 /nfs/dbraw/zinc/49/72/86/352497286.db2.gz INNGMJBNFWTFNX-UHFFFAOYSA-N 2 0 203.286 -0.795 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638656873 352497578 /nfs/dbraw/zinc/49/75/78/352497578.db2.gz KQXXXKYVFIIKPL-SECBINFHSA-N 2 0 231.340 -0.159 20 0 BBADRP [NH3+]CCCOCCNC(=O)C[NH2+]CC1CC1 ZINC000638656874 352497430 /nfs/dbraw/zinc/49/74/30/352497430.db2.gz KQYVNUNTXWFCPO-UHFFFAOYSA-N 2 0 229.324 -0.532 20 0 BBADRP CC(C)[NH2+]CCC(=O)NCCOCCC[NH3+] ZINC000638656882 352497227 /nfs/dbraw/zinc/49/72/27/352497227.db2.gz KUSXYMZXHKUTDD-UHFFFAOYSA-N 2 0 231.340 -0.144 20 0 BBADRP [NH3+]CCCOCCNC(=O)C1(C[NH3+])CCCC1 ZINC000638657411 352497995 /nfs/dbraw/zinc/49/79/95/352497995.db2.gz NZJOVHSDDFOLGO-UHFFFAOYSA-N 2 0 243.351 -0.013 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638657420 352497905 /nfs/dbraw/zinc/49/79/05/352497905.db2.gz ONSIFADFWJBKDE-SECBINFHSA-N 2 0 215.297 -0.780 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638657421 352497930 /nfs/dbraw/zinc/49/79/30/352497930.db2.gz ONSIFADFWJBKDE-VIFPVBQESA-N 2 0 215.297 -0.780 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000638657425 352497860 /nfs/dbraw/zinc/49/78/60/352497860.db2.gz OQXVRRIMFVBTGF-JTQLQIEISA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000638657426 352497875 /nfs/dbraw/zinc/49/78/75/352497875.db2.gz OQXVRRIMFVBTGF-SNVBAGLBSA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+]CCCOCCNC(=O)CC1CC[NH2+]CC1 ZINC000638657432 352497869 /nfs/dbraw/zinc/49/78/69/352497869.db2.gz OWARAKXMYUXYKT-UHFFFAOYSA-N 2 0 243.351 -0.142 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638657979 352499117 /nfs/dbraw/zinc/49/91/17/352499117.db2.gz REABQBHTCJPMJR-JTQLQIEISA-N 2 0 231.340 -0.159 20 0 BBADRP [NH3+]CCCOCCNC(=O)C1([NH3+])CCCC1 ZINC000638657990 352499195 /nfs/dbraw/zinc/49/91/95/352499195.db2.gz RMPVXHODPXJCJW-UHFFFAOYSA-N 2 0 229.324 -0.261 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638658162 352499436 /nfs/dbraw/zinc/49/94/36/352499436.db2.gz TYEWFLAIPWJJAH-QMMMGPOBSA-N 2 0 203.286 -0.795 20 0 BBADRP [NH3+]CCCOCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000638658186 352499464 /nfs/dbraw/zinc/49/94/64/352499464.db2.gz UIDMDIXDUWMTQP-JTQLQIEISA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+]CCCOCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000638658187 352499082 /nfs/dbraw/zinc/49/90/82/352499082.db2.gz UIDMDIXDUWMTQP-SNVBAGLBSA-N 2 0 229.324 -0.390 20 0 BBADRP CC(C)(C[NH3+])C(=O)NCCOCCC[NH3+] ZINC000638658196 352499126 /nfs/dbraw/zinc/49/91/26/352499126.db2.gz USTUCHDYAQFVRI-UHFFFAOYSA-N 2 0 217.313 -0.547 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638658222 352499318 /nfs/dbraw/zinc/49/93/18/352499318.db2.gz UWURQPJSJZBTAN-UWVGGRQHSA-N 2 0 231.340 -0.159 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638658226 352499071 /nfs/dbraw/zinc/49/90/71/352499071.db2.gz UWURQPJSJZBTAN-ZJUUUORDSA-N 2 0 231.340 -0.159 20 0 BBADRP CC(C)([NH3+])CC(=O)NCCOCCC[NH3+] ZINC000638658518 352498984 /nfs/dbraw/zinc/49/89/84/352498984.db2.gz VOYSEKBXJMGFNK-UHFFFAOYSA-N 2 0 217.313 -0.405 20 0 BBADRP C[C@@]1(C(=O)NCCOCCC[NH3+])CC[NH2+]C1 ZINC000638658529 352499064 /nfs/dbraw/zinc/49/90/64/352499064.db2.gz WIBHDGHSIDWEJC-LLVKDONJSA-N 2 0 229.324 -0.532 20 0 BBADRP C[C@]1(C(=O)NCCOCCC[NH3+])CC[NH2+]C1 ZINC000638658530 352499068 /nfs/dbraw/zinc/49/90/68/352499068.db2.gz WIBHDGHSIDWEJC-NSHDSACASA-N 2 0 229.324 -0.532 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000638658547 352499004 /nfs/dbraw/zinc/49/90/04/352499004.db2.gz WXITZCUTJUSMGG-SNVBAGLBSA-N 2 0 229.324 -0.532 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638658631 352499884 /nfs/dbraw/zinc/49/98/84/352499884.db2.gz ZEWCFTCELVMSFB-LLVKDONJSA-N 2 0 231.340 -0.015 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638658636 352500348 /nfs/dbraw/zinc/50/03/48/352500348.db2.gz ZEWCFTCELVMSFB-NSHDSACASA-N 2 0 231.340 -0.015 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCCOCCC[NH3+] ZINC000638658646 352499853 /nfs/dbraw/zinc/49/98/53/352499853.db2.gz ZIUFUJBQRAMOTL-SECBINFHSA-N 2 0 217.313 -0.677 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCCOCCC[NH3+] ZINC000638658647 352500086 /nfs/dbraw/zinc/50/00/86/352500086.db2.gz ZIUFUJBQRAMOTL-VIFPVBQESA-N 2 0 217.313 -0.677 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638658684 352500114 /nfs/dbraw/zinc/50/01/14/352500114.db2.gz ZUBIZMXTOLEERL-SECBINFHSA-N 2 0 217.313 -0.549 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638658685 352499968 /nfs/dbraw/zinc/49/99/68/352499968.db2.gz ZUBIZMXTOLEERL-VIFPVBQESA-N 2 0 217.313 -0.549 20 0 BBADRP CCC[N@H+](C)CC(=O)NCCOCCC[NH3+] ZINC000638660237 352501380 /nfs/dbraw/zinc/50/13/80/352501380.db2.gz BBVAADBWIVZUFR-UHFFFAOYSA-N 2 0 231.340 -0.190 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000638660290 352501889 /nfs/dbraw/zinc/50/18/89/352501889.db2.gz CVMQSKYQLIXZIK-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCOCCC[NH3+] ZINC000638660291 352501473 /nfs/dbraw/zinc/50/14/73/352501473.db2.gz CVMQSKYQLIXZIK-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP [NH3+]CCCOCCNC(=O)C[NH2+]C1CC1 ZINC000638661032 386339312 /nfs/dbraw/zinc/33/93/12/386339312.db2.gz JPFXXZSXYKMYMZ-UHFFFAOYSA-N 2 0 215.297 -0.780 20 0 BBADRP C[NH+]1CCC(C(=O)NCCOCCC[NH3+])CC1 ZINC000638661366 352504409 /nfs/dbraw/zinc/50/44/09/352504409.db2.gz NULROPYOFYEHES-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP C[C@@H](C(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000638661373 352504805 /nfs/dbraw/zinc/50/48/05/352504805.db2.gz ODKCXPMRCYBCKT-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP [NH3+]CCCOCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638661435 352504800 /nfs/dbraw/zinc/50/48/00/352504800.db2.gz QKGUHTWXTWLGIT-LLVKDONJSA-N 2 0 243.351 -0.142 20 0 BBADRP [NH3+]CCCOCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000638661436 352504526 /nfs/dbraw/zinc/50/45/26/352504526.db2.gz QKGUHTWXTWLGIT-NSHDSACASA-N 2 0 243.351 -0.142 20 0 BBADRP CC[NH+](CC)CC(=O)NCCOCCC[NH3+] ZINC000638661593 352504490 /nfs/dbraw/zinc/50/44/90/352504490.db2.gz VIMFJUPAUSMHCB-UHFFFAOYSA-N 2 0 231.340 -0.190 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000638661626 352504738 /nfs/dbraw/zinc/50/47/38/352504738.db2.gz BOZWEJNGVXKKMP-JTQLQIEISA-N 2 0 229.324 -0.405 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000638661627 352504645 /nfs/dbraw/zinc/50/46/45/352504645.db2.gz BOZWEJNGVXKKMP-SNVBAGLBSA-N 2 0 229.324 -0.405 20 0 BBADRP C[C@@H]1[C@H](C(=O)NCCOCCC[NH3+])CC[N@@H+]1C ZINC000638661650 352504393 /nfs/dbraw/zinc/50/43/93/352504393.db2.gz CJEZATCZNRNWOR-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP [NH3+]CCCOCCNC(=O)CC1(C[NH3+])CC1 ZINC000638661664 352504586 /nfs/dbraw/zinc/50/45/86/352504586.db2.gz CZRQLMWLAXXLDI-UHFFFAOYSA-N 2 0 229.324 -0.403 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NCCOCCC[NH3+] ZINC000638661678 352504788 /nfs/dbraw/zinc/50/47/88/352504788.db2.gz WJEXDFDHIZECQP-UHFFFAOYSA-N 2 0 231.340 -0.192 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638661774 352505333 /nfs/dbraw/zinc/50/53/33/352505333.db2.gz DSUSWPPWCSTZSS-LLVKDONJSA-N 2 0 243.351 -0.142 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638661775 352505341 /nfs/dbraw/zinc/50/53/41/352505341.db2.gz DSUSWPPWCSTZSS-NSHDSACASA-N 2 0 243.351 -0.142 20 0 BBADRP C[C@H]1C[C@@H](C(=O)NCCOCCC[NH3+])CC[NH2+]1 ZINC000638661894 352505262 /nfs/dbraw/zinc/50/52/62/352505262.db2.gz ANLXLEQJLVWRJS-QWRGUYRKSA-N 2 0 243.351 -0.144 20 0 BBADRP C[NH+](C)CC(=O)NCCOCCC[NH3+] ZINC000638661898 352505258 /nfs/dbraw/zinc/50/52/58/352505258.db2.gz AQPFEVVXVUVYKH-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCOCCC[NH3+] ZINC000638661900 352505319 /nfs/dbraw/zinc/50/53/19/352505319.db2.gz ASQKCBGRUVTUIT-SECBINFHSA-N 2 0 229.324 -0.534 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NCCOCCC[NH3+] ZINC000638661901 352505519 /nfs/dbraw/zinc/50/55/19/352505519.db2.gz ASQKCBGRUVTUIT-VIFPVBQESA-N 2 0 229.324 -0.534 20 0 BBADRP [NH3+]CCCOCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638662005 352505609 /nfs/dbraw/zinc/50/56/09/352505609.db2.gz IQAYJABVCFFNHI-WDEREUQCSA-N 2 0 243.351 -0.015 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638662024 352505599 /nfs/dbraw/zinc/50/55/99/352505599.db2.gz JBFZTKNSYCBKEI-GHMZBOCLSA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638662025 352505591 /nfs/dbraw/zinc/50/55/91/352505591.db2.gz JBFZTKNSYCBKEI-MNOVXSKESA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638662026 352505419 /nfs/dbraw/zinc/50/54/19/352505419.db2.gz JBFZTKNSYCBKEI-QWRGUYRKSA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCOCCC[NH3+])C1 ZINC000638662027 352505461 /nfs/dbraw/zinc/50/54/61/352505461.db2.gz JBFZTKNSYCBKEI-WDEREUQCSA-N 2 0 243.351 -0.144 20 0 BBADRP CC1(C(=O)NCCOCCC[NH3+])C[NH2+]C1 ZINC000638662214 352505370 /nfs/dbraw/zinc/50/53/70/352505370.db2.gz PDPLNWRBKSJDFA-UHFFFAOYSA-N 2 0 215.297 -0.923 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638662325 352505613 /nfs/dbraw/zinc/50/56/13/352505613.db2.gz SUVFMOHPFCRYNG-DTORHVGOSA-N 2 0 215.297 -0.795 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NCCOCCC[NH3+] ZINC000638662455 352505967 /nfs/dbraw/zinc/50/59/67/352505967.db2.gz BVOKDNXWLWMFFY-SECBINFHSA-N 2 0 217.313 -0.534 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NCCOCCC[NH3+] ZINC000638662456 352506158 /nfs/dbraw/zinc/50/61/58/352506158.db2.gz BVOKDNXWLWMFFY-VIFPVBQESA-N 2 0 217.313 -0.534 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638662869 352506673 /nfs/dbraw/zinc/50/66/73/352506673.db2.gz GEBICYPHPXXQMG-ZJUUUORDSA-N 2 0 229.324 -0.405 20 0 BBADRP C[C@@H](C(=O)NCCOCCC[NH3+])[C@H](C)[NH3+] ZINC000638663082 352506938 /nfs/dbraw/zinc/50/69/38/352506938.db2.gz ISQNXNHVOXQVCA-BDAKNGLRSA-N 2 0 217.313 -0.549 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCOCCC[NH3+] ZINC000638663083 352507059 /nfs/dbraw/zinc/50/70/59/352507059.db2.gz ISQNXNHVOXQVCA-DTWKUNHWSA-N 2 0 217.313 -0.549 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCOCCC[NH3+] ZINC000638663084 352506926 /nfs/dbraw/zinc/50/69/26/352506926.db2.gz ISQNXNHVOXQVCA-IUCAKERBSA-N 2 0 217.313 -0.549 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCOCCC[NH3+] ZINC000638663085 352506675 /nfs/dbraw/zinc/50/66/75/352506675.db2.gz ISQNXNHVOXQVCA-RKDXNWHRSA-N 2 0 217.313 -0.549 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCOCCC[NH3+] ZINC000638663168 352506695 /nfs/dbraw/zinc/50/66/95/352506695.db2.gz KZAQKUVORBNJPH-NXEZZACHSA-N 2 0 229.324 -0.534 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638663171 352506969 /nfs/dbraw/zinc/50/69/69/352506969.db2.gz IKNTYJDFYLMJSX-JTQLQIEISA-N 2 0 247.339 -0.780 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCCOCCC[NH3+] ZINC000638663179 352506995 /nfs/dbraw/zinc/50/69/95/352506995.db2.gz IQGMOSNQOCADRN-QMMMGPOBSA-N 2 0 203.286 -0.924 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCCOCCC[NH3+] ZINC000638663196 352506874 /nfs/dbraw/zinc/50/68/74/352506874.db2.gz JFKFZJDJVWIRNN-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCOCCC[NH3+] ZINC000638663197 352506769 /nfs/dbraw/zinc/50/67/69/352506769.db2.gz JFKFZJDJVWIRNN-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP CC[C@@H](C(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000638663208 352507029 /nfs/dbraw/zinc/50/70/29/352507029.db2.gz JKHHYHBQBXOZDY-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP CC[C@H](C(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000638663209 352506912 /nfs/dbraw/zinc/50/69/12/352506912.db2.gz JKHHYHBQBXOZDY-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000638663272 352506990 /nfs/dbraw/zinc/50/69/90/352506990.db2.gz KZAQKUVORBNJPH-UWVGGRQHSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCOCCC[NH3+] ZINC000638663274 352506726 /nfs/dbraw/zinc/50/67/26/352506726.db2.gz KZAQKUVORBNJPH-VHSXEESVSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000638663275 352506797 /nfs/dbraw/zinc/50/67/97/352506797.db2.gz KZAQKUVORBNJPH-ZJUUUORDSA-N 2 0 229.324 -0.534 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638663362 352506906 /nfs/dbraw/zinc/50/69/06/352506906.db2.gz MUSDLEADRZZSBH-BBBLOLIVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]CCCOCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638663466 352507851 /nfs/dbraw/zinc/50/78/51/352507851.db2.gz LFEQAWVEBVARED-JTQLQIEISA-N 2 0 227.308 -0.485 20 0 BBADRP [NH3+]CCCOCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638663467 352507552 /nfs/dbraw/zinc/50/75/52/352507552.db2.gz LFEQAWVEBVARED-SNVBAGLBSA-N 2 0 227.308 -0.485 20 0 BBADRP Cc1cncn1CC(=O)NCCOCCC[NH3+] ZINC000638663478 352507632 /nfs/dbraw/zinc/50/76/32/352507632.db2.gz LKHGGHCYOKBSFU-UHFFFAOYSA-N 2 0 240.307 -0.327 20 0 BBADRP Cc1ncc(C(=O)NCCOCCC[NH3+])[nH]1 ZINC000638663567 352507446 /nfs/dbraw/zinc/50/74/46/352507446.db2.gz OYQUPNYGNPHLHR-UHFFFAOYSA-N 2 0 226.280 -0.187 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCOCCC[NH3+] ZINC000638663624 352507898 /nfs/dbraw/zinc/50/78/98/352507898.db2.gz QQWLXOXDDRXTQL-GHMZBOCLSA-N 2 0 243.351 -0.144 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCOCCC[NH3+] ZINC000638663625 352507707 /nfs/dbraw/zinc/50/77/07/352507707.db2.gz QQWLXOXDDRXTQL-MNOVXSKESA-N 2 0 243.351 -0.144 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000638663626 352507604 /nfs/dbraw/zinc/50/76/04/352507604.db2.gz QQWLXOXDDRXTQL-QWRGUYRKSA-N 2 0 243.351 -0.144 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000638663627 352507931 /nfs/dbraw/zinc/50/79/31/352507931.db2.gz QQWLXOXDDRXTQL-WDEREUQCSA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NCCOCCC[NH3+] ZINC000638663639 352507753 /nfs/dbraw/zinc/50/77/53/352507753.db2.gz RBQNIBMTIWEYFO-SECBINFHSA-N 2 0 217.313 -0.405 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NCCOCCC[NH3+] ZINC000638663640 352507510 /nfs/dbraw/zinc/50/75/10/352507510.db2.gz RBQNIBMTIWEYFO-VIFPVBQESA-N 2 0 217.313 -0.405 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)NCCOCCC[NH3+])C1 ZINC000638663673 352507801 /nfs/dbraw/zinc/50/78/01/352507801.db2.gz HVMPSWATBQVEGH-LLVKDONJSA-N 2 0 243.351 -0.190 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCOCCC[NH3+])C1 ZINC000638663674 352507782 /nfs/dbraw/zinc/50/77/82/352507782.db2.gz HVMPSWATBQVEGH-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638663885 352507496 /nfs/dbraw/zinc/50/74/96/352507496.db2.gz TYEWFLAIPWJJAH-MRVPVSSYSA-N 2 0 203.286 -0.795 20 0 BBADRP C[C@H](C[NH3+])C(=O)NCCOCCC[NH3+] ZINC000638663904 352507487 /nfs/dbraw/zinc/50/74/87/352507487.db2.gz UOCOVNATKXLOND-MRVPVSSYSA-N 2 0 203.286 -0.937 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NCCOCCC[NH3+] ZINC000638663906 352507450 /nfs/dbraw/zinc/50/74/50/352507450.db2.gz UOCOVNATKXLOND-QMMMGPOBSA-N 2 0 203.286 -0.937 20 0 BBADRP C[NH2+]CCC(=O)NCCOCCC[NH3+] ZINC000638663908 352507967 /nfs/dbraw/zinc/50/79/67/352507967.db2.gz UPHXQUJCOMQMPW-UHFFFAOYSA-N 2 0 203.286 -0.923 20 0 BBADRP C[C@@]1(C(=O)NCCOCCC[NH3+])CCC[NH2+]C1 ZINC000638664079 352506418 /nfs/dbraw/zinc/50/64/18/352506418.db2.gz WETQVSXAWCNLQZ-GFCCVEGCSA-N 2 0 243.351 -0.142 20 0 BBADRP C[C@]1(C(=O)NCCOCCC[NH3+])CCC[NH2+]C1 ZINC000638664080 352506097 /nfs/dbraw/zinc/50/60/97/352506097.db2.gz WETQVSXAWCNLQZ-LBPRGKRZSA-N 2 0 243.351 -0.142 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NCCOCCC[NH3+] ZINC000638664088 352506324 /nfs/dbraw/zinc/50/63/24/352506324.db2.gz WRGCJTYGNBDYKN-JTQLQIEISA-N 2 0 231.340 -0.144 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NCCOCCC[NH3+] ZINC000638664089 352506227 /nfs/dbraw/zinc/50/62/27/352506227.db2.gz WRGCJTYGNBDYKN-SNVBAGLBSA-N 2 0 231.340 -0.144 20 0 BBADRP C[C@@]1(C(=O)NCCOCCC[NH3+])CCC[NH2+]1 ZINC000638664112 352506166 /nfs/dbraw/zinc/50/61/66/352506166.db2.gz XQGQWBMMIPLSHX-NSHDSACASA-N 2 0 229.324 -0.390 20 0 BBADRP CC[NH2+][C@H](C)C(=O)NCCOCCC[NH3+] ZINC000638664208 352506044 /nfs/dbraw/zinc/50/60/44/352506044.db2.gz SNHKLXOKPOWRPR-SECBINFHSA-N 2 0 217.313 -0.534 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)NCCOCCC[NH3+] ZINC000638664209 352506405 /nfs/dbraw/zinc/50/64/05/352506405.db2.gz SNHKLXOKPOWRPR-VIFPVBQESA-N 2 0 217.313 -0.534 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638664217 352506115 /nfs/dbraw/zinc/50/61/15/352506115.db2.gz SUVFMOHPFCRYNG-KYZUINATSA-N 2 0 215.297 -0.795 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638664318 352508701 /nfs/dbraw/zinc/50/87/01/352508701.db2.gz YZAHPLPGVVWZSO-CMPLNLGQSA-N 2 0 241.335 -0.532 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638664319 352508690 /nfs/dbraw/zinc/50/86/90/352508690.db2.gz YZAHPLPGVVWZSO-JQWIXIFHSA-N 2 0 241.335 -0.532 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638664320 352508573 /nfs/dbraw/zinc/50/85/73/352508573.db2.gz YZAHPLPGVVWZSO-PWSUYJOCSA-N 2 0 241.335 -0.532 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638664321 352508601 /nfs/dbraw/zinc/50/86/01/352508601.db2.gz YZAHPLPGVVWZSO-ZYHUDNBSSA-N 2 0 241.335 -0.532 20 0 BBADRP [NH3+]CCCOCCNC(=O)C1([NH3+])CCC1 ZINC000638664344 352508644 /nfs/dbraw/zinc/50/86/44/352508644.db2.gz ZCKBUIWBGZCHIH-UHFFFAOYSA-N 2 0 215.297 -0.651 20 0 BBADRP C[C@H](C(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000638664386 352508670 /nfs/dbraw/zinc/50/86/70/352508670.db2.gz ODKCXPMRCYBCKT-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP [NH3+]CCCOCCNC(=O)CC[NH2+]C1CC1 ZINC000638664422 352506731 /nfs/dbraw/zinc/50/67/31/352506731.db2.gz UXTAXXLCKRJKJO-UHFFFAOYSA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+]CCCOCCNC(=O)CC1([NH3+])CC1 ZINC000638664430 352506792 /nfs/dbraw/zinc/50/67/92/352506792.db2.gz VGWIRVLLXIAAAT-UHFFFAOYSA-N 2 0 215.297 -0.651 20 0 BBADRP C[NH+](C)CC1(C(=O)NCCOCCC[NH3+])CC1 ZINC000638665045 352508410 /nfs/dbraw/zinc/50/84/10/352508410.db2.gz YMDJMLTZDIAMFK-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638669285 352511501 /nfs/dbraw/zinc/51/15/01/352511501.db2.gz ABXFZFPACKTCBF-JTQLQIEISA-N 2 0 247.339 -0.828 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638669305 352511971 /nfs/dbraw/zinc/51/19/71/352511971.db2.gz AKDVCZNJXUBJBL-JTQLQIEISA-N 2 0 227.308 -0.532 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638669306 352511909 /nfs/dbraw/zinc/51/19/09/352511909.db2.gz AKDVCZNJXUBJBL-SNVBAGLBSA-N 2 0 227.308 -0.532 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC1([NH3+])CC1 ZINC000638669308 352511741 /nfs/dbraw/zinc/51/17/41/352511741.db2.gz AMRNNKDUPBHRGQ-UHFFFAOYSA-N 2 0 215.297 -0.699 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638670389 352513616 /nfs/dbraw/zinc/51/36/16/352513616.db2.gz NGOSMWIIHNSPSQ-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638670390 352513583 /nfs/dbraw/zinc/51/35/83/352513583.db2.gz NGOSMWIIHNSPSQ-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP C[C@H]([NH3+])CC(=O)N(C)CCOCC[NH3+] ZINC000638670462 352513536 /nfs/dbraw/zinc/51/35/36/352513536.db2.gz NVAKUJPYJVQIER-QMMMGPOBSA-N 2 0 203.286 -0.843 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638670755 352512784 /nfs/dbraw/zinc/51/27/84/352512784.db2.gz RMXXEKPZZONZCG-KYZUINATSA-N 2 0 215.297 -0.843 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638671269 352513183 /nfs/dbraw/zinc/51/31/83/352513183.db2.gz WTYKLSUFMGKGAT-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP CC(C)[NH2+]CC(=O)N(C)CCOCC[NH3+] ZINC000638672020 352513567 /nfs/dbraw/zinc/51/35/67/352513567.db2.gz BDHHNYSMYIVXEE-UHFFFAOYSA-N 2 0 217.313 -0.582 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C1(C)C[NH2+]C1 ZINC000638672332 352513731 /nfs/dbraw/zinc/51/37/31/352513731.db2.gz DMUMAICWCOELMH-UHFFFAOYSA-N 2 0 215.297 -0.970 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]([NH3+])C1CCC1 ZINC000638672454 352513734 /nfs/dbraw/zinc/51/37/34/352513734.db2.gz GLKLLPUOEFSIHF-JTQLQIEISA-N 2 0 229.324 -0.453 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]([NH3+])C1CCC1 ZINC000638672455 352513453 /nfs/dbraw/zinc/51/34/53/352513453.db2.gz GLKLLPUOEFSIHF-SNVBAGLBSA-N 2 0 229.324 -0.453 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638672710 352512264 /nfs/dbraw/zinc/51/22/64/352512264.db2.gz IBHWWEVUGWDEQP-WDEREUQCSA-N 2 0 243.351 -0.062 20 0 BBADRP C[C@H](C(=O)N(C)CCOCC[NH3+])[NH+](C)C ZINC000638672878 352514412 /nfs/dbraw/zinc/51/44/12/352514412.db2.gz FKAXDCCVXRNFTM-SECBINFHSA-N 2 0 217.313 -0.630 20 0 BBADRP C[C@@H](C(=O)N(C)CCOCC[NH3+])[NH+](C)C ZINC000638672881 352514342 /nfs/dbraw/zinc/51/43/42/352514342.db2.gz FKAXDCCVXRNFTM-VIFPVBQESA-N 2 0 217.313 -0.630 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638672886 352513660 /nfs/dbraw/zinc/51/36/60/352513660.db2.gz LBCTZVSEHFYXPA-LLVKDONJSA-N 2 0 243.351 -0.190 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1CCC[NH2+]CC1 ZINC000638672887 352513520 /nfs/dbraw/zinc/51/35/20/352513520.db2.gz LBCTZVSEHFYXPA-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N(C)CCOCC[NH3+] ZINC000638672963 352512388 /nfs/dbraw/zinc/51/23/88/352512388.db2.gz LWOXDKPKGWWHRX-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N(C)CCOCC[NH3+] ZINC000638672964 352512360 /nfs/dbraw/zinc/51/23/60/352512360.db2.gz LWOXDKPKGWWHRX-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC[NH2+]C1CC1 ZINC000638673002 352513080 /nfs/dbraw/zinc/51/30/80/352513080.db2.gz MLMOAHLTFBXNTQ-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638673043 352514386 /nfs/dbraw/zinc/51/43/86/352514386.db2.gz NMTXKQKTYUQVEN-ZJUUUORDSA-N 2 0 229.324 -0.453 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C1(C[NH+](C)C)CC1 ZINC000638673173 352514758 /nfs/dbraw/zinc/51/47/58/352514758.db2.gz IBYCYWLKQIEDPB-UHFFFAOYSA-N 2 0 243.351 -0.238 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638673386 352514876 /nfs/dbraw/zinc/51/48/76/352514876.db2.gz RMXXEKPZZONZCG-DTORHVGOSA-N 2 0 215.297 -0.843 20 0 BBADRP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH3+])CC[N@@H+]1C ZINC000638673448 352514614 /nfs/dbraw/zinc/51/46/14/352514614.db2.gz SFHQVCUYSWSAKO-GHMZBOCLSA-N 2 0 243.351 -0.240 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638673488 352514818 /nfs/dbraw/zinc/51/48/18/352514818.db2.gz SZEIUOUVDXEVIC-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638673489 352514736 /nfs/dbraw/zinc/51/47/36/352514736.db2.gz SZEIUOUVDXEVIC-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638673586 352514681 /nfs/dbraw/zinc/51/46/81/352514681.db2.gz WKGQXRPKBQUDGN-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638673587 352514971 /nfs/dbraw/zinc/51/49/71/352514971.db2.gz WKGQXRPKBQUDGN-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638673588 352514761 /nfs/dbraw/zinc/51/47/61/352514761.db2.gz WKGQXRPKBQUDGN-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)CCOCC[NH3+])C1 ZINC000638673692 352514629 /nfs/dbraw/zinc/51/46/29/352514629.db2.gz WKGQXRPKBQUDGN-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC1(C[NH3+])CC1 ZINC000638673749 352514754 /nfs/dbraw/zinc/51/47/54/352514754.db2.gz YUGSDAYAEDFWIR-UHFFFAOYSA-N 2 0 229.324 -0.451 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638673836 352514943 /nfs/dbraw/zinc/51/49/43/352514943.db2.gz ABHZLYWYAIODGA-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638673837 352514752 /nfs/dbraw/zinc/51/47/52/352514752.db2.gz ABHZLYWYAIODGA-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638673839 352514767 /nfs/dbraw/zinc/51/47/67/352514767.db2.gz ABHZLYWYAIODGA-VHSXEESVSA-N 2 0 229.324 -0.582 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638673840 352514733 /nfs/dbraw/zinc/51/47/33/352514733.db2.gz ABHZLYWYAIODGA-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@]1(C)CCC[NH2+]1 ZINC000638673865 352514620 /nfs/dbraw/zinc/51/46/20/352514620.db2.gz ALKBRQFHGLRUPG-NSHDSACASA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1[NH2+]CC1(C)C ZINC000638673958 352514958 /nfs/dbraw/zinc/51/49/58/352514958.db2.gz BKZIGTIEOHOZFU-SECBINFHSA-N 2 0 229.324 -0.582 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638673959 352514918 /nfs/dbraw/zinc/51/49/18/352514918.db2.gz BKZIGTIEOHOZFU-VIFPVBQESA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH2+]CCC(=O)N(C)CCOCC[NH3+] ZINC000638674017 352514880 /nfs/dbraw/zinc/51/48/80/352514880.db2.gz CRDWNXHBGMCFJC-UHFFFAOYSA-N 2 0 203.286 -0.970 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638674160 352515372 /nfs/dbraw/zinc/51/53/72/352515372.db2.gz GBGZNDWCNBUAIQ-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638674165 352515615 /nfs/dbraw/zinc/51/56/15/352515615.db2.gz GBNRUQHTTNSDIX-JTQLQIEISA-N 2 0 231.340 -0.192 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638674167 352515493 /nfs/dbraw/zinc/51/54/93/352515493.db2.gz GBNRUQHTTNSDIX-SNVBAGLBSA-N 2 0 231.340 -0.192 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C1([NH3+])CCC1 ZINC000638674170 352515660 /nfs/dbraw/zinc/51/56/60/352515660.db2.gz GCWVITRZMOVQQG-UHFFFAOYSA-N 2 0 215.297 -0.699 20 0 BBADRP C[C@@H](C(=O)N(C)CCOCC[NH3+])[C@H](C)[NH3+] ZINC000638674254 352515513 /nfs/dbraw/zinc/51/55/13/352515513.db2.gz HUANWOFORAJBFA-BDAKNGLRSA-N 2 0 217.313 -0.597 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638674260 352515302 /nfs/dbraw/zinc/51/53/02/352515302.db2.gz HUANWOFORAJBFA-DTWKUNHWSA-N 2 0 217.313 -0.597 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638674261 352515467 /nfs/dbraw/zinc/51/54/67/352515467.db2.gz HUANWOFORAJBFA-IUCAKERBSA-N 2 0 217.313 -0.597 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638674262 352515621 /nfs/dbraw/zinc/51/56/21/352515621.db2.gz HUANWOFORAJBFA-RKDXNWHRSA-N 2 0 217.313 -0.597 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638674326 352515586 /nfs/dbraw/zinc/51/55/86/352515586.db2.gz IIELUZRRISZVQH-MRVPVSSYSA-N 2 0 203.286 -0.843 20 0 BBADRP C[C@H]1C[C@@H](C(=O)N(C)CCOCC[NH3+])CC[NH2+]1 ZINC000638674400 352515684 /nfs/dbraw/zinc/51/56/84/352515684.db2.gz IWQRDUJBEPVHET-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638674438 352514422 /nfs/dbraw/zinc/51/44/22/352514422.db2.gz KFGSKZGRNSTQFB-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638674439 352514365 /nfs/dbraw/zinc/51/43/65/352514365.db2.gz KFGSKZGRNSTQFB-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638674441 352514083 /nfs/dbraw/zinc/51/40/83/352514083.db2.gz KFGSKZGRNSTQFB-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638674442 352514149 /nfs/dbraw/zinc/51/41/49/352514149.db2.gz KFGSKZGRNSTQFB-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638674468 352514244 /nfs/dbraw/zinc/51/42/44/352514244.db2.gz KTRLNVOFULPHCL-UWVGGRQHSA-N 2 0 231.340 -0.207 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638674472 352514251 /nfs/dbraw/zinc/51/42/51/352514251.db2.gz KTRLNVOFULPHCL-ZJUUUORDSA-N 2 0 231.340 -0.207 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638674867 352514333 /nfs/dbraw/zinc/51/43/33/352514333.db2.gz MSVCIAVZFXZOIX-GFCCVEGCSA-N 2 0 243.351 -0.190 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638674868 352514141 /nfs/dbraw/zinc/51/41/41/352514141.db2.gz MSVCIAVZFXZOIX-LBPRGKRZSA-N 2 0 243.351 -0.190 20 0 BBADRP CC[C@]1(C(=O)N(C)CCOCC[NH3+])CCC[NH2+]1 ZINC000638674874 352513969 /nfs/dbraw/zinc/51/39/69/352513969.db2.gz MZQLMYZTROTYMC-GFCCVEGCSA-N 2 0 243.351 -0.048 20 0 BBADRP CC[C@@]1(C(=O)N(C)CCOCC[NH3+])CCC[NH2+]1 ZINC000638674875 352514397 /nfs/dbraw/zinc/51/43/97/352514397.db2.gz MZQLMYZTROTYMC-LBPRGKRZSA-N 2 0 243.351 -0.048 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638674898 352514291 /nfs/dbraw/zinc/51/42/91/352514291.db2.gz YSDROUKSMHVKDI-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638674903 352514122 /nfs/dbraw/zinc/51/41/22/352514122.db2.gz YYKMKQVGFQKWCX-LLVKDONJSA-N 2 0 243.351 -0.238 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638674904 352513955 /nfs/dbraw/zinc/51/39/55/352513955.db2.gz YYKMKQVGFQKWCX-NSHDSACASA-N 2 0 243.351 -0.238 20 0 BBADRP CN(CCOCC[NH3+])C(=O)c1c[nH+]ccc1N ZINC000638674945 352514284 /nfs/dbraw/zinc/51/42/84/352514284.db2.gz NSERUOOMILBPTM-UHFFFAOYSA-N 2 0 238.291 -0.459 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638674958 352514726 /nfs/dbraw/zinc/51/47/26/352514726.db2.gz OAZWMKATPFBCTI-SECBINFHSA-N 2 0 217.313 -0.597 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638675204 352514200 /nfs/dbraw/zinc/51/42/00/352514200.db2.gz PUQKKBLCFYLNJQ-LLVKDONJSA-N 2 0 243.351 -0.190 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC[C@H]1CC[NH2+]C1 ZINC000638675205 352514087 /nfs/dbraw/zinc/51/40/87/352514087.db2.gz PUQKKBLCFYLNJQ-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CCC[NH2+]C1 ZINC000638675253 352514939 /nfs/dbraw/zinc/51/49/39/352514939.db2.gz RNFJANKHVWYTHU-SNVBAGLBSA-N 2 0 229.324 -0.580 20 0 BBADRP CC[NH+](CC)CC(=O)N(C)CCOCC[NH3+] ZINC000638675262 352514921 /nfs/dbraw/zinc/51/49/21/352514921.db2.gz RVISBASKSXHQIY-UHFFFAOYSA-N 2 0 231.340 -0.238 20 0 BBADRP CCC[N@H+](C)CC(=O)N(C)CCOCC[NH3+] ZINC000638675269 352514771 /nfs/dbraw/zinc/51/47/71/352514771.db2.gz SALCBMDDXMZTOH-UHFFFAOYSA-N 2 0 231.340 -0.238 20 0 BBADRP C[C@H](C[NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638675280 352514646 /nfs/dbraw/zinc/51/46/46/352514646.db2.gz SOCBGKHRFLWHSX-MRVPVSSYSA-N 2 0 203.286 -0.985 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638675281 352514601 /nfs/dbraw/zinc/51/46/01/352514601.db2.gz SOCBGKHRFLWHSX-QMMMGPOBSA-N 2 0 203.286 -0.985 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638675292 352514936 /nfs/dbraw/zinc/51/49/36/352514936.db2.gz SYKPPFQJPFMUOE-BBBLOLIVSA-N 2 0 227.308 -0.830 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N(C)CCOCC[NH3+] ZINC000638675441 352516970 /nfs/dbraw/zinc/51/69/70/352516970.db2.gz GENZSNCHNFCZDY-UHFFFAOYSA-N 2 0 231.340 -0.240 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C1CC[NH+](C)CC1 ZINC000638675525 352516686 /nfs/dbraw/zinc/51/66/86/352516686.db2.gz IMPVBMQMKGTQQK-UHFFFAOYSA-N 2 0 243.351 -0.238 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)N(C)CCOCC[NH3+] ZINC000638675543 352516563 /nfs/dbraw/zinc/51/65/63/352516563.db2.gz VPBHFBHLLZRFBH-SECBINFHSA-N 2 0 217.313 -0.453 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N(C)CCOCC[NH3+] ZINC000638675544 352516828 /nfs/dbraw/zinc/51/68/28/352516828.db2.gz VPBHFBHLLZRFBH-VIFPVBQESA-N 2 0 217.313 -0.453 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638675555 352515348 /nfs/dbraw/zinc/51/53/48/352515348.db2.gz VUECTVAGPFHQHI-CMPLNLGQSA-N 2 0 241.335 -0.580 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638675556 352515601 /nfs/dbraw/zinc/51/56/01/352515601.db2.gz VUECTVAGPFHQHI-JQWIXIFHSA-N 2 0 241.335 -0.580 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638675557 352515325 /nfs/dbraw/zinc/51/53/25/352515325.db2.gz VUECTVAGPFHQHI-PWSUYJOCSA-N 2 0 241.335 -0.580 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638675558 352515553 /nfs/dbraw/zinc/51/55/53/352515553.db2.gz VUECTVAGPFHQHI-ZYHUDNBSSA-N 2 0 241.335 -0.580 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C[NH2+]C1CC1 ZINC000638675703 352515545 /nfs/dbraw/zinc/51/55/45/352515545.db2.gz XWSLOCORVMDWQP-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC1([NH3+])CCC1 ZINC000638679761 352518111 /nfs/dbraw/zinc/51/81/11/352518111.db2.gz CUSNDUKWGIOYQF-UHFFFAOYSA-N 2 0 229.324 -0.308 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638679791 352518374 /nfs/dbraw/zinc/51/83/74/352518374.db2.gz DZSLHWTXLZPXEL-JTQLQIEISA-N 2 0 231.340 -0.207 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638679797 352518311 /nfs/dbraw/zinc/51/83/11/352518311.db2.gz FGDYLDCEDUTRKI-SECBINFHSA-N 2 0 217.313 -0.724 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638679798 352518321 /nfs/dbraw/zinc/51/83/21/352518321.db2.gz FGDYLDCEDUTRKI-VIFPVBQESA-N 2 0 217.313 -0.724 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C[NH2+]CC1CC1 ZINC000638679945 352518240 /nfs/dbraw/zinc/51/82/40/352518240.db2.gz HKFLWFYKTFDXGB-UHFFFAOYSA-N 2 0 229.324 -0.580 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC1CC[NH2+]CC1 ZINC000638679946 352518332 /nfs/dbraw/zinc/51/83/32/352518332.db2.gz HMOPKYADBRWBEI-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CC[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638679961 352518114 /nfs/dbraw/zinc/51/81/14/352518114.db2.gz IIELUZRRISZVQH-QMMMGPOBSA-N 2 0 203.286 -0.843 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C1(C[NH3+])CCCC1 ZINC000638680012 352518786 /nfs/dbraw/zinc/51/87/86/352518786.db2.gz JXYRIPISAMVPLE-UHFFFAOYSA-N 2 0 243.351 -0.061 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC(C)(C)[NH3+] ZINC000638680030 352518844 /nfs/dbraw/zinc/51/88/44/352518844.db2.gz KJDQYMDXWHUTPD-UHFFFAOYSA-N 2 0 217.313 -0.453 20 0 BBADRP CC(C)[NH2+]CCC(=O)N(C)CCOCC[NH3+] ZINC000638680118 352518781 /nfs/dbraw/zinc/51/87/81/352518781.db2.gz LQSGPXXJJVJEGE-UHFFFAOYSA-N 2 0 231.340 -0.192 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N(C)CCOCC[NH3+] ZINC000638680217 352519133 /nfs/dbraw/zinc/51/91/33/352519133.db2.gz NVAKUJPYJVQIER-MRVPVSSYSA-N 2 0 203.286 -0.843 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CCCC[NH2+]1 ZINC000638680218 352518927 /nfs/dbraw/zinc/51/89/27/352518927.db2.gz NVALTOSXOVLVHK-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1CCCC[NH2+]1 ZINC000638680220 352519068 /nfs/dbraw/zinc/51/90/68/352519068.db2.gz NVALTOSXOVLVHK-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638680232 352519113 /nfs/dbraw/zinc/51/91/13/352519113.db2.gz OAZWMKATPFBCTI-VIFPVBQESA-N 2 0 217.313 -0.597 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CCC[NH3+] ZINC000638680242 352519136 /nfs/dbraw/zinc/51/91/36/352519136.db2.gz OIPWYTOPSYUGAP-UHFFFAOYSA-N 2 0 203.286 -0.841 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C1([NH3+])CCCC1 ZINC000638680304 352518950 /nfs/dbraw/zinc/51/89/50/352518950.db2.gz PCHKTFNBJQQXMS-UHFFFAOYSA-N 2 0 229.324 -0.308 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@]1(C)CC[NH2+]C1 ZINC000638680415 352519066 /nfs/dbraw/zinc/51/90/66/352519066.db2.gz PMVRSTBWTSNMAV-LLVKDONJSA-N 2 0 229.324 -0.580 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638680416 352519079 /nfs/dbraw/zinc/51/90/79/352519079.db2.gz PMVRSTBWTSNMAV-NSHDSACASA-N 2 0 229.324 -0.580 20 0 BBADRP C[NH2+]CCCC(=O)N(C)CCOCC[NH3+] ZINC000638680418 352519135 /nfs/dbraw/zinc/51/91/35/352519135.db2.gz PQSZCEHKKVPTKZ-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C(C)(C)[NH3+] ZINC000638680421 352518815 /nfs/dbraw/zinc/51/88/15/352518815.db2.gz QBKTZLCFHJOFPO-UHFFFAOYSA-N 2 0 203.286 -0.843 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CCC(C)(C)[NH3+] ZINC000638680465 352519017 /nfs/dbraw/zinc/51/90/17/352519017.db2.gz SCUALTAXHOTPOP-UHFFFAOYSA-N 2 0 231.340 -0.062 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638680617 352519109 /nfs/dbraw/zinc/51/91/09/352519109.db2.gz VFNIUKGJQXVYOM-GHMZBOCLSA-N 2 0 243.351 -0.062 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638680618 352519047 /nfs/dbraw/zinc/51/90/47/352519047.db2.gz VFNIUKGJQXVYOM-MNOVXSKESA-N 2 0 243.351 -0.062 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C[C@@H]1CCC[NH2+]1 ZINC000638680635 352519743 /nfs/dbraw/zinc/51/97/43/352519743.db2.gz VXMFUTISCXBZKD-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C[C@H]1CCC[NH2+]1 ZINC000638680636 352519624 /nfs/dbraw/zinc/51/96/24/352519624.db2.gz VXMFUTISCXBZKD-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638680660 352519625 /nfs/dbraw/zinc/51/96/25/352519625.db2.gz WXXKASHPHNWZSK-SECBINFHSA-N 2 0 231.340 -0.207 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C(C)(C)C[NH3+] ZINC000638680663 352519725 /nfs/dbraw/zinc/51/97/25/352519725.db2.gz XAOIUEDGZGEECF-UHFFFAOYSA-N 2 0 217.313 -0.595 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638680672 352519804 /nfs/dbraw/zinc/51/98/04/352519804.db2.gz XYTFHVIIHDYRIJ-LLVKDONJSA-N 2 0 231.340 -0.062 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638680673 352519765 /nfs/dbraw/zinc/51/97/65/352519765.db2.gz XYTFHVIIHDYRIJ-NSHDSACASA-N 2 0 231.340 -0.062 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1CCC[NH2+]1 ZINC000638680680 352519650 /nfs/dbraw/zinc/51/96/50/352519650.db2.gz YIEZIICKFKTVDB-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CCC[NH2+]1 ZINC000638680681 352519504 /nfs/dbraw/zinc/51/95/04/352519504.db2.gz YIEZIICKFKTVDB-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638726798 352585160 /nfs/dbraw/zinc/58/51/60/352585160.db2.gz BVZZPYAMXFXIDQ-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638726800 352585516 /nfs/dbraw/zinc/58/55/16/352585516.db2.gz BVZZPYAMXFXIDQ-WDEREUQCSA-N 2 0 242.367 -0.524 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638727321 352586491 /nfs/dbraw/zinc/58/64/91/352586491.db2.gz FHGONDKZKCZIDW-QWRGUYRKSA-N 2 0 243.351 -0.051 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638729140 352589551 /nfs/dbraw/zinc/58/95/51/352589551.db2.gz YOFVHGXHZUERNP-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638729141 352589711 /nfs/dbraw/zinc/58/97/11/352589711.db2.gz YOFVHGXHZUERNP-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638729142 352589508 /nfs/dbraw/zinc/58/95/08/352589508.db2.gz YOFVHGXHZUERNP-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638729143 352589364 /nfs/dbraw/zinc/58/93/64/352589364.db2.gz YOFVHGXHZUERNP-HBNTYKKESA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638729190 352589638 /nfs/dbraw/zinc/58/96/38/352589638.db2.gz JRBJXFKDAQSNED-YTWAJWBKSA-N 2 0 223.320 -0.053 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638730403 352593316 /nfs/dbraw/zinc/59/33/16/352593316.db2.gz XKJANUPWFOWMNK-UKKRHICBSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638764719 352703198 /nfs/dbraw/zinc/70/31/98/352703198.db2.gz GPWYRPYTPBJGQZ-GUDRVLHUSA-N 2 0 239.319 -0.911 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000638765478 352704770 /nfs/dbraw/zinc/70/47/70/352704770.db2.gz NXXODZQQSSVTHL-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000638765841 352705384 /nfs/dbraw/zinc/70/53/84/352705384.db2.gz PQHLFHMMOKLBEH-GXSJLCMTSA-N 2 0 241.335 -0.378 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000638766326 352702774 /nfs/dbraw/zinc/70/27/74/352702774.db2.gz RGXSBMOPYFCXDT-BTQIBKBOSA-N 2 0 241.335 -0.380 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000638766327 352702391 /nfs/dbraw/zinc/70/23/91/352702391.db2.gz RGXSBMOPYFCXDT-GUDRVLHUSA-N 2 0 241.335 -0.380 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000638766328 352702652 /nfs/dbraw/zinc/70/26/52/352702652.db2.gz RGXSBMOPYFCXDT-UXCLJVHYSA-N 2 0 241.335 -0.380 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000638766329 352702357 /nfs/dbraw/zinc/70/23/57/352702357.db2.gz RGXSBMOPYFCXDT-XNDJQWLSSA-N 2 0 241.335 -0.380 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[NH2+]C1 ZINC000638766396 352703399 /nfs/dbraw/zinc/70/33/99/352703399.db2.gz VWPGIEHHLUXHIB-HOSYDEDBSA-N 2 0 241.335 -0.521 20 0 BBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[NH2+]C1 ZINC000638766397 352703243 /nfs/dbraw/zinc/70/32/43/352703243.db2.gz VWPGIEHHLUXHIB-UMNHJUIQSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000638766464 352703188 /nfs/dbraw/zinc/70/31/88/352703188.db2.gz YENVLQMMCJNNPA-FXBDTBDDSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000638766465 352703145 /nfs/dbraw/zinc/70/31/45/352703145.db2.gz YENVLQMMCJNNPA-SFGNSQDASA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638766630 352706043 /nfs/dbraw/zinc/70/60/43/352706043.db2.gz WEJTZPVHQRYUSW-HOSYDEDBSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638766631 352706004 /nfs/dbraw/zinc/70/60/04/352706004.db2.gz WEJTZPVHQRYUSW-UMNHJUIQSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638766816 352706975 /nfs/dbraw/zinc/70/69/75/352706975.db2.gz XLJQVJXQOCQUFC-IQJOONFLSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638766817 352706855 /nfs/dbraw/zinc/70/68/55/352706855.db2.gz XLJQVJXQOCQUFC-NGZCFLSTSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638766855 352706798 /nfs/dbraw/zinc/70/67/98/352706798.db2.gz XXXRWNVUOITMDT-WCBMZHEXSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638767193 352706933 /nfs/dbraw/zinc/70/69/33/352706933.db2.gz AMJRRBDBBPPFHS-IVZWLZJFSA-N 2 0 243.376 -0.052 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000638767194 352706926 /nfs/dbraw/zinc/70/69/26/352706926.db2.gz AMJRRBDBBPPFHS-LPEHRKFASA-N 2 0 243.376 -0.052 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638767576 352707648 /nfs/dbraw/zinc/70/76/48/352707648.db2.gz GYHKMHHUWUGOCX-AATLWQCWSA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000638767577 352707498 /nfs/dbraw/zinc/70/74/98/352707498.db2.gz GYHKMHHUWUGOCX-AXTSPUMRSA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767578 352707525 /nfs/dbraw/zinc/70/75/25/352707525.db2.gz GYHKMHHUWUGOCX-UTINFBMNSA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767579 352707387 /nfs/dbraw/zinc/70/73/87/352707387.db2.gz GYHKMHHUWUGOCX-XFWSIPNHSA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638767609 352708038 /nfs/dbraw/zinc/70/80/38/352708038.db2.gz HXMDVBOGKHIFES-SRQGCSHVSA-N 2 0 209.293 -0.682 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638767959 352707979 /nfs/dbraw/zinc/70/79/79/352707979.db2.gz NMUXTWNMFMNWQS-CHHOWFRJSA-N 2 0 209.293 -0.397 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000638767965 352708131 /nfs/dbraw/zinc/70/81/31/352708131.db2.gz NQWVYNJKCIDPHT-IVZWLZJFSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000638767966 352708362 /nfs/dbraw/zinc/70/83/62/352708362.db2.gz NQWVYNJKCIDPHT-LPEHRKFASA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000638767981 352708360 /nfs/dbraw/zinc/70/83/60/352708360.db2.gz OCBLGBFDQRPOEB-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638767990 352708930 /nfs/dbraw/zinc/70/89/30/352708930.db2.gz OQUSJLRXHIOWLG-NGZCFLSTSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000638768192 352708950 /nfs/dbraw/zinc/70/89/50/352708950.db2.gz SCUMPKDZJLVLHX-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000638768193 352709081 /nfs/dbraw/zinc/70/90/81/352709081.db2.gz SCUMPKDZJLVLHX-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768213 352709091 /nfs/dbraw/zinc/70/90/91/352709091.db2.gz TXFFSADQHZLOOE-DJLDLDEBSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768214 352709002 /nfs/dbraw/zinc/70/90/02/352709002.db2.gz TXFFSADQHZLOOE-XHNCKOQMSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000638768368 352706221 /nfs/dbraw/zinc/70/62/21/352706221.db2.gz XGZMTUBYWJZKEU-WCBMZHEXSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638768383 352706052 /nfs/dbraw/zinc/70/60/52/352706052.db2.gz YAXSOIYKGFXMMT-BTQIBKBOSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638768384 352705962 /nfs/dbraw/zinc/70/59/62/352705962.db2.gz YAXSOIYKGFXMMT-GUDRVLHUSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638768385 352706139 /nfs/dbraw/zinc/70/61/39/352706139.db2.gz YAXSOIYKGFXMMT-UXCLJVHYSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638768386 352706151 /nfs/dbraw/zinc/70/61/51/352706151.db2.gz YAXSOIYKGFXMMT-XNDJQWLSSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000638768392 352706037 /nfs/dbraw/zinc/70/60/37/352706037.db2.gz YILRLEQZAZIOSI-DTWKUNHWSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000638768395 352706023 /nfs/dbraw/zinc/70/60/23/352706023.db2.gz YLIQAOVGBPMTBO-DJLDLDEBSA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638768396 352706172 /nfs/dbraw/zinc/70/61/72/352706172.db2.gz YLIQAOVGBPMTBO-YIZRAAEISA-N 2 0 211.309 -0.149 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000638768429 352706063 /nfs/dbraw/zinc/70/60/63/352706063.db2.gz ZWAYGFIGTPNYSZ-OIBJUYFYSA-N 2 0 220.276 -0.026 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638772753 352715584 /nfs/dbraw/zinc/71/55/84/352715584.db2.gz GFUMLBNZPMTUAR-AXTSPUMRSA-N 2 0 227.308 -0.783 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638772754 352715508 /nfs/dbraw/zinc/71/55/08/352715508.db2.gz GFUMLBNZPMTUAR-JLIMGVALSA-N 2 0 227.308 -0.783 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638772755 352715563 /nfs/dbraw/zinc/71/55/63/352715563.db2.gz GFUMLBNZPMTUAR-QEYWKRMJSA-N 2 0 227.308 -0.783 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638772756 352715714 /nfs/dbraw/zinc/71/57/14/352715714.db2.gz GFUMLBNZPMTUAR-SGIHWFKDSA-N 2 0 227.308 -0.783 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638772923 352713431 /nfs/dbraw/zinc/71/34/31/352713431.db2.gz BDBCLQFNMNMJBA-DTWKUNHWSA-N 2 0 215.297 -0.911 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000638773095 352714251 /nfs/dbraw/zinc/71/42/51/352714251.db2.gz GDCISTVEHMCXRO-IVZWLZJFSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000638773096 352714172 /nfs/dbraw/zinc/71/41/72/352714172.db2.gz GDCISTVEHMCXRO-LPEHRKFASA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638773260 352713910 /nfs/dbraw/zinc/71/39/10/352713910.db2.gz MSMHKRGSWXDMHP-QCLAVDOMSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000638773403 352713893 /nfs/dbraw/zinc/71/38/93/352713893.db2.gz LABTWDKICRSETF-WCBMZHEXSA-N 2 0 211.309 -0.147 20 0 BBADRP COC1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[NH2+]CC1 ZINC000638773440 352714885 /nfs/dbraw/zinc/71/48/85/352714885.db2.gz LQQRCQRJXRNTNQ-VHSXEESVSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000638773684 352715469 /nfs/dbraw/zinc/71/54/69/352715469.db2.gz NIYCVVLQWXIPFX-WCBMZHEXSA-N 2 0 211.309 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638773862 352720339 /nfs/dbraw/zinc/72/03/39/352720339.db2.gz QLUXJOMCQHYKGB-LPEHRKFASA-N 2 0 229.324 -0.395 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000638773930 352720357 /nfs/dbraw/zinc/72/03/57/352720357.db2.gz SWYJRZYYVIJUAM-AEJSXWLSSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000638773931 352720295 /nfs/dbraw/zinc/72/02/95/352720295.db2.gz SWYJRZYYVIJUAM-IVZWLZJFSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000638773935 352720367 /nfs/dbraw/zinc/72/03/67/352720367.db2.gz SZVDYIAEUBAZJD-WCBMZHEXSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638774019 352720122 /nfs/dbraw/zinc/72/01/22/352720122.db2.gz VZGJGNHSVJBZDW-IVZWLZJFSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000638774020 352720411 /nfs/dbraw/zinc/72/04/11/352720411.db2.gz VZGJGNHSVJBZDW-LPEHRKFASA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000638774228 352716200 /nfs/dbraw/zinc/71/62/00/352716200.db2.gz YMSXXWPHNYLRRO-IQJOONFLSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638774229 352716355 /nfs/dbraw/zinc/71/63/55/352716355.db2.gz YMSXXWPHNYLRRO-NGZCFLSTSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638774928 352721562 /nfs/dbraw/zinc/72/15/62/352721562.db2.gz XEYWVRNJKVAZSG-FXBDTBDDSA-N 2 0 209.293 -0.100 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638774929 352721558 /nfs/dbraw/zinc/72/15/58/352721558.db2.gz XEYWVRNJKVAZSG-UJNFCWOMSA-N 2 0 209.293 -0.100 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638787964 385965318 /nfs/dbraw/zinc/96/53/18/385965318.db2.gz NONFILHXUDYJIT-GARJFASQSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638787965 385965446 /nfs/dbraw/zinc/96/54/46/385965446.db2.gz NONFILHXUDYJIT-HBNTYKKESA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000638791214 352752010 /nfs/dbraw/zinc/75/20/10/352752010.db2.gz DWZUKVODTDLKKH-OPRDCNLKSA-N 2 0 211.309 -0.195 20 0 BBADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000638791556 487857107 /nfs/dbraw/zinc/85/71/07/487857107.db2.gz MBTOSXNJBJNEOD-KOLCDFICSA-N 2 0 227.308 -0.909 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000638791557 487857281 /nfs/dbraw/zinc/85/72/81/487857281.db2.gz MBTOSXNJBJNEOD-MWLCHTKSSA-N 2 0 227.308 -0.909 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638791618 352754461 /nfs/dbraw/zinc/75/44/61/352754461.db2.gz PDPXVFHEIBODCT-AEJSXWLSSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638791619 352754329 /nfs/dbraw/zinc/75/43/29/352754329.db2.gz PDPXVFHEIBODCT-BBBLOLIVSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638791620 352754340 /nfs/dbraw/zinc/75/43/40/352754340.db2.gz PDPXVFHEIBODCT-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638791621 352754547 /nfs/dbraw/zinc/75/45/47/352754547.db2.gz PDPXVFHEIBODCT-OPRDCNLKSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000638791983 352753392 /nfs/dbraw/zinc/75/33/92/352753392.db2.gz ZEKWTMWNUDNRGN-NXEZZACHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000638791985 352753125 /nfs/dbraw/zinc/75/31/25/352753125.db2.gz ZEKWTMWNUDNRGN-VHSXEESVSA-N 2 0 211.309 -0.146 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638792208 352753946 /nfs/dbraw/zinc/75/39/46/352753946.db2.gz DHDBZALOXNCKPA-BDAKNGLRSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638792209 352753703 /nfs/dbraw/zinc/75/37/03/352753703.db2.gz DHDBZALOXNCKPA-RKDXNWHRSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638792254 352753743 /nfs/dbraw/zinc/75/37/43/352753743.db2.gz GPEVOZWNBOPAIH-GMTAPVOTSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638792255 352753670 /nfs/dbraw/zinc/75/36/70/352753670.db2.gz GPEVOZWNBOPAIH-MXWKQRLJSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638792256 352753344 /nfs/dbraw/zinc/75/33/44/352753344.db2.gz GPEVOZWNBOPAIH-OUAUKWLOSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638792257 352753416 /nfs/dbraw/zinc/75/34/16/352753416.db2.gz GPEVOZWNBOPAIH-VWYCJHECSA-N 2 0 223.320 -0.005 20 0 BBADRP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[NH2+]C2)on1 ZINC000638792922 352755220 /nfs/dbraw/zinc/75/52/20/352755220.db2.gz ULDJAKXBUDWXGQ-SSDOTTSWSA-N 2 0 238.291 -0.040 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638792969 352755371 /nfs/dbraw/zinc/75/53/71/352755371.db2.gz PPJHFFYVWYLDHK-FXPVBKGRSA-N 2 0 227.308 -0.769 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000638792970 352755967 /nfs/dbraw/zinc/75/59/67/352755967.db2.gz PPJHFFYVWYLDHK-KKZNHRDASA-N 2 0 227.308 -0.769 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638793064 352756072 /nfs/dbraw/zinc/75/60/72/352756072.db2.gz VYLITLCPLJSPHO-BDAKNGLRSA-N 2 0 215.297 -0.783 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638793123 352756000 /nfs/dbraw/zinc/75/60/00/352756000.db2.gz YTVLRPYHJMMLIW-CKYFFXLPSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638793124 352755933 /nfs/dbraw/zinc/75/59/33/352755933.db2.gz YTVLRPYHJMMLIW-FOGDFJRCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638793125 352755760 /nfs/dbraw/zinc/75/57/60/352755760.db2.gz YTVLRPYHJMMLIW-JFGNBEQYSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638793126 352755815 /nfs/dbraw/zinc/75/58/15/352755815.db2.gz YTVLRPYHJMMLIW-SCVCMEIPSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638801695 352952538 /nfs/dbraw/zinc/95/25/38/352952538.db2.gz CETLGFUTZCSJAW-DTWKUNHWSA-N 2 0 249.318 -0.422 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638801696 352952396 /nfs/dbraw/zinc/95/23/96/352952396.db2.gz CETLGFUTZCSJAW-RKDXNWHRSA-N 2 0 249.318 -0.422 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638801708 352952564 /nfs/dbraw/zinc/95/25/64/352952564.db2.gz CXZGOUAOUWEWSM-KXUCPTDWSA-N 2 0 211.309 -0.147 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638801709 352952490 /nfs/dbraw/zinc/95/24/90/352952490.db2.gz CXZGOUAOUWEWSM-OPRDCNLKSA-N 2 0 211.309 -0.147 20 0 BBADRP [NH3+]CCc1nc(C(=O)N[C@@H]2CC[NH2+]C2)cs1 ZINC000638801773 352936507 /nfs/dbraw/zinc/93/65/07/352936507.db2.gz HXUSWSRMEDGSEY-SSDOTTSWSA-N 2 0 240.332 -0.264 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCC1(F)F ZINC000638801780 352936054 /nfs/dbraw/zinc/93/60/54/352936054.db2.gz IUIXUIOQAYXSET-HTQZYQBOSA-N 2 0 233.262 -0.291 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000638801781 352936551 /nfs/dbraw/zinc/93/65/51/352936551.db2.gz IUIXUIOQAYXSET-SFYZADRCSA-N 2 0 233.262 -0.291 20 0 BBADRP [NH3+]C1CCC(OCC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000638802258 352936232 /nfs/dbraw/zinc/93/62/32/352936232.db2.gz QAWRTJUJIBNJJS-HSOILSAZSA-N 2 0 241.335 -0.249 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000638802274 352937035 /nfs/dbraw/zinc/93/70/35/352937035.db2.gz QBUFIRVZZTXVFR-NXEZZACHSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000638802276 352937112 /nfs/dbraw/zinc/93/71/12/352937112.db2.gz QBUFIRVZZTXVFR-ZJUUUORDSA-N 2 0 223.320 -0.146 20 0 BBADRP COCC1(C(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000638802764 352971115 /nfs/dbraw/zinc/97/11/15/352971115.db2.gz WETKZIHXEIVMIC-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638804437 352978454 /nfs/dbraw/zinc/97/84/54/352978454.db2.gz VAWDSHGNZVJOFM-UHFFFAOYSA-N 2 0 221.260 -0.171 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638816760 352998031 /nfs/dbraw/zinc/99/80/31/352998031.db2.gz SXLYZTQHUDUTQL-AXFHLTTASA-N 2 0 241.335 -0.168 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638816761 352998077 /nfs/dbraw/zinc/99/80/77/352998077.db2.gz SXLYZTQHUDUTQL-MXWKQRLJSA-N 2 0 241.335 -0.168 20 0 BBADRP [NH3+][C@@H]1CCCCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000638818566 352998965 /nfs/dbraw/zinc/99/89/65/352998965.db2.gz YVIQXYQGPHUGAU-SECBINFHSA-N 2 0 227.308 -0.949 20 0 BBADRP [NH3+][C@H]1CCCCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000638818567 352998947 /nfs/dbraw/zinc/99/89/47/352998947.db2.gz YVIQXYQGPHUGAU-VIFPVBQESA-N 2 0 227.308 -0.949 20 0 BBADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000638818956 352999676 /nfs/dbraw/zinc/99/96/76/352999676.db2.gz GPTABQWAABOZMU-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+][C@H]1CCCCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000638818957 352999791 /nfs/dbraw/zinc/99/97/91/352999791.db2.gz GPTABQWAABOZMU-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CCOCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821787 353002680 /nfs/dbraw/zinc/00/26/80/353002680.db2.gz ANQNHNSSLKEXGN-JTQLQIEISA-N 2 0 229.324 -0.308 20 0 BBADRP [NH3+]CCOCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821788 353002524 /nfs/dbraw/zinc/00/25/24/353002524.db2.gz ANQNHNSSLKEXGN-SNVBAGLBSA-N 2 0 229.324 -0.308 20 0 BBADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000638822131 353002440 /nfs/dbraw/zinc/00/24/40/353002440.db2.gz GPTABQWAABOZMU-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000638822132 353002871 /nfs/dbraw/zinc/00/28/71/353002871.db2.gz GPTABQWAABOZMU-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP COCC[NH2+]CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638823535 353004986 /nfs/dbraw/zinc/00/49/86/353004986.db2.gz UVZHCAWVVPXHBG-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP COCC[NH2+]CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638823536 353005029 /nfs/dbraw/zinc/00/50/29/353005029.db2.gz UVZHCAWVVPXHBG-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638838613 353023107 /nfs/dbraw/zinc/02/31/07/353023107.db2.gz MJOGDCGFWLWOAH-UHFFFAOYSA-N 2 0 248.334 -0.347 20 0 BBADRP [NH3+]CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638842374 353018717 /nfs/dbraw/zinc/01/87/17/353018717.db2.gz QHXAHZBSKNNWHM-UHFFFAOYSA-N 2 0 219.288 -0.093 20 0 BBADRP C[C@@H]1CN(C(=O)COCC[NH3+])C[C@H]1C[NH3+] ZINC000638885593 353052696 /nfs/dbraw/zinc/05/26/96/353052696.db2.gz OMMWFNSJZBUANU-RKDXNWHRSA-N 2 0 215.297 -0.985 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000638887563 353049640 /nfs/dbraw/zinc/04/96/40/353049640.db2.gz WANUHYZPPYPALD-BBBLOLIVSA-N 2 0 227.308 -0.972 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000638887567 353049477 /nfs/dbraw/zinc/04/94/77/353049477.db2.gz WANUHYZPPYPALD-OPRDCNLKSA-N 2 0 227.308 -0.972 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC000638892441 411513165 /nfs/dbraw/zinc/51/31/65/411513165.db2.gz IWVKMFCNIKYDTR-ILAIQSSSSA-N 2 0 223.320 -0.210 20 0 BBADRP O=C(C[NH2+]CC1CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909070 353065646 /nfs/dbraw/zinc/06/56/46/353065646.db2.gz DDAATWJQMJYQAE-UWVGGRQHSA-N 2 0 209.293 -0.441 20 0 BBADRP [NH3+]C1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCC1 ZINC000638909688 353066944 /nfs/dbraw/zinc/06/69/44/353066944.db2.gz IMHSVSMALVOOKL-IUCAKERBSA-N 2 0 209.293 -0.169 20 0 BBADRP COC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]CC1 ZINC000638909773 353066848 /nfs/dbraw/zinc/06/68/48/353066848.db2.gz KFRGEPNMOXGYGC-UWVGGRQHSA-N 2 0 239.319 -0.672 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909997 353066869 /nfs/dbraw/zinc/06/68/69/353066869.db2.gz KXBMAFZPNHVAPP-GUBZILKMSA-N 2 0 211.309 -0.068 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910031 353067568 /nfs/dbraw/zinc/06/75/68/353067568.db2.gz LTQNBTTVWQPXIC-GUBZILKMSA-N 2 0 209.293 -0.299 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910032 353067704 /nfs/dbraw/zinc/06/77/04/353067704.db2.gz LTQNBTTVWQPXIC-UTLUCORTSA-N 2 0 209.293 -0.299 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910064 353067520 /nfs/dbraw/zinc/06/75/20/353067520.db2.gz MUVDYHMRAPXTKK-UWVGGRQHSA-N 2 0 211.309 -0.053 20 0 BBADRP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)o1 ZINC000638910181 353068067 /nfs/dbraw/zinc/06/80/67/353068067.db2.gz NHLQBTVJZIUMFV-YUMQZZPRSA-N 2 0 221.260 -0.075 20 0 BBADRP O=C(C1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910226 353070188 /nfs/dbraw/zinc/07/01/88/353070188.db2.gz OSYQEOZYKOMQIK-UWVGGRQHSA-N 2 0 209.293 -0.441 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910229 353070081 /nfs/dbraw/zinc/07/00/81/353070081.db2.gz OWLXELYXSQTKRW-XHNCKOQMSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]C1 ZINC000638910373 353070856 /nfs/dbraw/zinc/07/08/56/353070856.db2.gz QGPPPIPXSKZDSO-ATZCPNFKSA-N 2 0 209.293 -0.441 20 0 BBADRP C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]C1 ZINC000638910375 353070868 /nfs/dbraw/zinc/07/08/68/353070868.db2.gz QGPPPIPXSKZDSO-QXEWZRGKSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C(CC1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910409 353066456 /nfs/dbraw/zinc/06/64/56/353066456.db2.gz QOCDPWVYDRIISV-QWRGUYRKSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910855 353075707 /nfs/dbraw/zinc/07/57/07/353075707.db2.gz WLSJOVQUKXTLKX-UTLUCORTSA-N 2 0 209.293 -0.441 20 0 BBADRP [NH3+]C1(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1 ZINC000638910873 353075659 /nfs/dbraw/zinc/07/56/59/353075659.db2.gz XBSOJQXDRWLUDR-IUCAKERBSA-N 2 0 209.293 -0.169 20 0 BBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913656 353072040 /nfs/dbraw/zinc/07/20/40/353072040.db2.gz BEHRWCUWVTWJKJ-AEJSXWLSSA-N 2 0 241.360 -0.346 20 0 BBADRP O=C(C[C@H]1CSCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913657 353072249 /nfs/dbraw/zinc/07/22/49/353072249.db2.gz BEHRWCUWVTWJKJ-GUBZILKMSA-N 2 0 241.360 -0.346 20 0 BBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913973 353072230 /nfs/dbraw/zinc/07/22/30/353072230.db2.gz HSHROBGLUACSBB-GMOBBJLQSA-N 2 0 221.304 -0.441 20 0 BBADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913974 353072236 /nfs/dbraw/zinc/07/22/36/353072236.db2.gz HSHROBGLUACSBB-GUDRVLHUSA-N 2 0 221.304 -0.441 20 0 BBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913975 353072299 /nfs/dbraw/zinc/07/22/99/353072299.db2.gz HSHROBGLUACSBB-QFOLPQNPSA-N 2 0 221.304 -0.441 20 0 BBADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913976 353071990 /nfs/dbraw/zinc/07/19/90/353071990.db2.gz HSHROBGLUACSBB-UXCLJVHYSA-N 2 0 221.304 -0.441 20 0 BBADRP Nc1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914125 353072584 /nfs/dbraw/zinc/07/25/84/353072584.db2.gz MGOCSRWHZHQRDV-YUMQZZPRSA-N 2 0 218.260 -0.320 20 0 BBADRP C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[NH2+]1 ZINC000638914155 353072607 /nfs/dbraw/zinc/07/26/07/353072607.db2.gz NLIPLXRFWCWEQZ-ATZCPNFKSA-N 2 0 209.293 -0.299 20 0 BBADRP C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[NH2+]1 ZINC000638914156 353072685 /nfs/dbraw/zinc/07/26/85/353072685.db2.gz NLIPLXRFWCWEQZ-QXEWZRGKSA-N 2 0 209.293 -0.299 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914164 353072833 /nfs/dbraw/zinc/07/28/33/353072833.db2.gz NSTGLBKFIAXIOP-UWVGGRQHSA-N 2 0 211.309 -0.101 20 0 BBADRP O=C(COC1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914454 353073453 /nfs/dbraw/zinc/07/34/53/353073453.db2.gz DZPXTRXPEKVIOO-UWVGGRQHSA-N 2 0 239.319 -0.672 20 0 BBADRP CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914484 353072856 /nfs/dbraw/zinc/07/28/56/353072856.db2.gz SHWDYRSVVSOSEU-UWVGGRQHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914497 353073280 /nfs/dbraw/zinc/07/32/80/353073280.db2.gz AVNQJJDFMRSVCL-AATLWQCWSA-N 2 0 209.293 -0.443 20 0 BBADRP [NH3+]Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)co1 ZINC000638914501 353073290 /nfs/dbraw/zinc/07/32/90/353073290.db2.gz SNQOZRFOHGJCNB-IUCAKERBSA-N 2 0 221.260 -0.075 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914505 353073423 /nfs/dbraw/zinc/07/34/23/353073423.db2.gz AVNQJJDFMRSVCL-KATARQTJSA-N 2 0 209.293 -0.443 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914508 353073266 /nfs/dbraw/zinc/07/32/66/353073266.db2.gz AVNQJJDFMRSVCL-XFWSIPNHSA-N 2 0 209.293 -0.443 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914512 353073313 /nfs/dbraw/zinc/07/33/13/353073313.db2.gz AVNQJJDFMRSVCL-XKNYDFJKSA-N 2 0 209.293 -0.443 20 0 BBADRP [NH3+][C@@H](CC(F)F)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914520 353073373 /nfs/dbraw/zinc/07/33/73/353073373.db2.gz BBIYNCRCYYITRW-ACZMJKKPSA-N 2 0 219.235 -0.458 20 0 BBADRP [NH3+][C@H](CC(F)F)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914527 353073294 /nfs/dbraw/zinc/07/32/94/353073294.db2.gz BBIYNCRCYYITRW-LYFYHCNISA-N 2 0 219.235 -0.458 20 0 BBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC000638914640 353073469 /nfs/dbraw/zinc/07/34/69/353073469.db2.gz GCBJQPKFHZBPMZ-VPOLOUISSA-N 2 0 223.320 -0.101 20 0 BBADRP C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[NH2+]C1 ZINC000638914858 353073247 /nfs/dbraw/zinc/07/32/47/353073247.db2.gz WTYPFJYIGKOXRQ-JBLDHEPKSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[NH2+]C1 ZINC000638914860 353073369 /nfs/dbraw/zinc/07/33/69/353073369.db2.gz WTYPFJYIGKOXRQ-NHCYSSNCSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC000638914879 353073389 /nfs/dbraw/zinc/07/33/89/353073389.db2.gz FHYIHDNTOQDBDN-NAKRPEOUSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914992 353074133 /nfs/dbraw/zinc/07/41/33/353074133.db2.gz LKFNFJZOHPXNQQ-NAKRPEOUSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914993 353074296 /nfs/dbraw/zinc/07/42/96/353074296.db2.gz LKFNFJZOHPXNQQ-RCWTZXSCSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914994 353074316 /nfs/dbraw/zinc/07/43/16/353074316.db2.gz LKFNFJZOHPXNQQ-VPOLOUISSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638914995 353074227 /nfs/dbraw/zinc/07/42/27/353074227.db2.gz LKFNFJZOHPXNQQ-XWLWVQCSSA-N 2 0 223.320 -0.053 20 0 BBADRP O=C(C[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915061 353074310 /nfs/dbraw/zinc/07/43/10/353074310.db2.gz YMCCGYUHZKXYCP-GUBZILKMSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C(C[C@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915062 353074293 /nfs/dbraw/zinc/07/42/93/353074293.db2.gz YMCCGYUHZKXYCP-UTLUCORTSA-N 2 0 209.293 -0.441 20 0 BBADRP O=C([C@H]1CCC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915114 353073929 /nfs/dbraw/zinc/07/39/29/353073929.db2.gz MWNYJJSLAUHQMO-DCAQKATOSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CCC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915115 353074166 /nfs/dbraw/zinc/07/41/66/353074166.db2.gz MWNYJJSLAUHQMO-VWYCJHECSA-N 2 0 223.320 -0.051 20 0 BBADRP COC[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]C1 ZINC000638915150 353074006 /nfs/dbraw/zinc/07/40/06/353074006.db2.gz NNWKUBGHDHYPGU-JBLDHEPKSA-N 2 0 239.319 -0.815 20 0 BBADRP COC[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]C1 ZINC000638915152 353073904 /nfs/dbraw/zinc/07/39/04/353073904.db2.gz NNWKUBGHDHYPGU-NHCYSSNCSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915226 353074082 /nfs/dbraw/zinc/07/40/82/353074082.db2.gz JMKKERWRNGFXHZ-DCAQKATOSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915227 353074233 /nfs/dbraw/zinc/07/42/33/353074233.db2.gz JMKKERWRNGFXHZ-GARJFASQSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915280 353074180 /nfs/dbraw/zinc/07/41/80/353074180.db2.gz KOYOYDIOTWRTLF-RXKWGBCNSA-N 2 0 207.277 -0.976 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915376 353074155 /nfs/dbraw/zinc/07/41/55/353074155.db2.gz LMXOKBNHCXARES-MMWGEVLESA-N 2 0 223.320 -0.053 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915377 353074127 /nfs/dbraw/zinc/07/41/27/353074127.db2.gz LMXOKBNHCXARES-NAKRPEOUSA-N 2 0 223.320 -0.053 20 0 BBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915378 353074287 /nfs/dbraw/zinc/07/42/87/353074287.db2.gz LMXOKBNHCXARES-UKKRHICBSA-N 2 0 223.320 -0.053 20 0 BBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915380 353074224 /nfs/dbraw/zinc/07/42/24/353074224.db2.gz LMXOKBNHCXARES-XWLWVQCSSA-N 2 0 223.320 -0.053 20 0 BBADRP O=C(CC[C@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915475 353074916 /nfs/dbraw/zinc/07/49/16/353074916.db2.gz MTXYKXOSDLIHGT-DCAQKATOSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(CC[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915476 353074787 /nfs/dbraw/zinc/07/47/87/353074787.db2.gz MTXYKXOSDLIHGT-VWYCJHECSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+][C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCC1 ZINC000638915485 353074880 /nfs/dbraw/zinc/07/48/80/353074880.db2.gz RHQPRFAEXSZPNA-GUBZILKMSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCC1 ZINC000638915486 353074790 /nfs/dbraw/zinc/07/47/90/353074790.db2.gz RHQPRFAEXSZPNA-LPEHRKFASA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+]CC1(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638915835 353071986 /nfs/dbraw/zinc/07/19/86/353071986.db2.gz XXZXLJFACSOTLL-IUCAKERBSA-N 2 0 209.293 -0.312 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915952 353075344 /nfs/dbraw/zinc/07/53/44/353075344.db2.gz RDWTWTMKYDJDSN-KBDSZGMXSA-N 2 0 207.277 -0.691 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915954 353076476 /nfs/dbraw/zinc/07/64/76/353076476.db2.gz RFBBKYMXNUUHQJ-GUBZILKMSA-N 2 0 211.309 -0.053 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915955 353076090 /nfs/dbraw/zinc/07/60/90/353076090.db2.gz RFBBKYMXNUUHQJ-UTLUCORTSA-N 2 0 211.309 -0.053 20 0 BBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915965 353076237 /nfs/dbraw/zinc/07/62/37/353076237.db2.gz RMPZWVNAJQYAAV-CIUDSAMLSA-N 2 0 245.273 -0.196 20 0 BBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915966 353076297 /nfs/dbraw/zinc/07/62/97/353076297.db2.gz RMPZWVNAJQYAAV-XHNCKOQMSA-N 2 0 245.273 -0.196 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916075 353077546 /nfs/dbraw/zinc/07/75/46/353077546.db2.gz WZMCDBNHGOXQHY-CIUDSAMLSA-N 2 0 209.293 -0.443 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916076 353077748 /nfs/dbraw/zinc/07/77/48/353077748.db2.gz WZMCDBNHGOXQHY-XHNCKOQMSA-N 2 0 209.293 -0.443 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917325 353081066 /nfs/dbraw/zinc/08/10/66/353081066.db2.gz OECSFABXEGLUCE-AATLWQCWSA-N 2 0 209.293 -0.314 20 0 BBADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917344 353081150 /nfs/dbraw/zinc/08/11/50/353081150.db2.gz OLFPJKZOSIRYHH-KQXIARHKSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917345 353081056 /nfs/dbraw/zinc/08/10/56/353081056.db2.gz OLFPJKZOSIRYHH-MEWQQHAOSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917347 353081061 /nfs/dbraw/zinc/08/10/61/353081061.db2.gz OLFPJKZOSIRYHH-MRBYEJRBSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917348 353081211 /nfs/dbraw/zinc/08/12/11/353081211.db2.gz OLFPJKZOSIRYHH-ZPFDUUQYSA-N 2 0 235.331 -0.051 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917368 353081151 /nfs/dbraw/zinc/08/11/51/353081151.db2.gz PBMBVGHYPHIXJE-GUBZILKMSA-N 2 0 227.308 -0.689 20 0 BBADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+](C)C ZINC000638917393 353081043 /nfs/dbraw/zinc/08/10/43/353081043.db2.gz PNDQXMDICAPJLU-GUBZILKMSA-N 2 0 211.309 -0.101 20 0 BBADRP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+](C)C ZINC000638917395 353081374 /nfs/dbraw/zinc/08/13/74/353081374.db2.gz PNDQXMDICAPJLU-LPEHRKFASA-N 2 0 211.309 -0.101 20 0 BBADRP O=C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638917449 353081050 /nfs/dbraw/zinc/08/10/50/353081050.db2.gz FFDBQYZUTNENAW-MXWKQRLJSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638917771 353081917 /nfs/dbraw/zinc/08/19/17/353081917.db2.gz SYIBCZGHJAERSZ-GUBZILKMSA-N 2 0 207.277 -0.393 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638917772 353081813 /nfs/dbraw/zinc/08/18/13/353081813.db2.gz SYIBCZGHJAERSZ-UTLUCORTSA-N 2 0 207.277 -0.393 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638917832 353081882 /nfs/dbraw/zinc/08/18/82/353081882.db2.gz JFLFPMVXWZIDQG-AEJSXWLSSA-N 2 0 211.309 -0.068 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638917833 353081805 /nfs/dbraw/zinc/08/18/05/353081805.db2.gz JFLFPMVXWZIDQG-KXUCPTDWSA-N 2 0 211.309 -0.068 20 0 BBADRP C[NH2+]CCCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638917883 353081791 /nfs/dbraw/zinc/08/17/91/353081791.db2.gz JUUUDUJJZGZZBQ-AOOOYVTPSA-N 2 0 211.309 -0.051 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638917930 353082410 /nfs/dbraw/zinc/08/24/10/353082410.db2.gz KAQIIRDANWSBNX-GMOBBJLQSA-N 2 0 239.319 -0.674 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638917931 353082391 /nfs/dbraw/zinc/08/23/91/353082391.db2.gz KAQIIRDANWSBNX-GUDRVLHUSA-N 2 0 239.319 -0.674 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638917933 353082571 /nfs/dbraw/zinc/08/25/71/353082571.db2.gz KAQIIRDANWSBNX-QFOLPQNPSA-N 2 0 239.319 -0.674 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638917934 353082587 /nfs/dbraw/zinc/08/25/87/353082587.db2.gz KAQIIRDANWSBNX-UXCLJVHYSA-N 2 0 239.319 -0.674 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918028 353082434 /nfs/dbraw/zinc/08/24/34/353082434.db2.gz XIDZNALXNWYONJ-GUBZILKMSA-N 2 0 223.320 -0.053 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918029 353082526 /nfs/dbraw/zinc/08/25/26/353082526.db2.gz XIDZNALXNWYONJ-LPEHRKFASA-N 2 0 223.320 -0.053 20 0 BBADRP O=C(CC[NH2+]C1CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918202 353082590 /nfs/dbraw/zinc/08/25/90/353082590.db2.gz ZWRLGTLSYOWRPR-UWVGGRQHSA-N 2 0 209.293 -0.299 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638918266 353082592 /nfs/dbraw/zinc/08/25/92/353082592.db2.gz OIXXMDBNBQKZMO-DCAQKATOSA-N 2 0 223.320 -0.099 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638918267 353082400 /nfs/dbraw/zinc/08/24/00/353082400.db2.gz OIXXMDBNBQKZMO-VWYCJHECSA-N 2 0 223.320 -0.099 20 0 BBADRP O=C(C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918492 353083075 /nfs/dbraw/zinc/08/30/75/353083075.db2.gz RSPGXYRAJDRNEU-PHIMTYICSA-N 2 0 223.320 -0.051 20 0 BBADRP CC(C)(C[NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918640 353083273 /nfs/dbraw/zinc/08/32/73/353083273.db2.gz BDKWZEJVVXEOIG-DTORHVGOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000638918651 353082989 /nfs/dbraw/zinc/08/29/89/353082989.db2.gz BPIOSRREHVKLTR-JFGNBEQYSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000638918652 353083285 /nfs/dbraw/zinc/08/32/85/353083285.db2.gz BPIOSRREHVKLTR-UMNHJUIQSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918783 353082991 /nfs/dbraw/zinc/08/29/91/353082991.db2.gz UIRPGRKZUUVNNJ-AEJSXWLSSA-N 2 0 209.293 -0.299 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918784 353083007 /nfs/dbraw/zinc/08/30/07/353083007.db2.gz UIRPGRKZUUVNNJ-KXUCPTDWSA-N 2 0 209.293 -0.299 20 0 BBADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638918792 353083209 /nfs/dbraw/zinc/08/32/09/353083209.db2.gz UUMRBTNUPVFLFB-UWVGGRQHSA-N 2 0 223.320 -0.099 20 0 BBADRP O=C(C[NH2+]CC1CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918889 353083684 /nfs/dbraw/zinc/08/36/84/353083684.db2.gz GONIRDVHOOTGKN-PHIMTYICSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918922 353083887 /nfs/dbraw/zinc/08/38/87/353083887.db2.gz IMUITRDMCVLHJV-AXFHLTTASA-N 2 0 239.319 -0.672 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918923 353084050 /nfs/dbraw/zinc/08/40/50/353084050.db2.gz IMUITRDMCVLHJV-OUAUKWLOSA-N 2 0 239.319 -0.672 20 0 BBADRP [NH3+]C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCOC1 ZINC000638919064 353083653 /nfs/dbraw/zinc/08/36/53/353083653.db2.gz WZSHSGVMOMRHKN-JBLDHEPKSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+]C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCOC1 ZINC000638919065 353083716 /nfs/dbraw/zinc/08/37/16/353083716.db2.gz WZSHSGVMOMRHKN-NHCYSSNCSA-N 2 0 239.319 -0.685 20 0 BBADRP O=C(CCC1C[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638919081 353084015 /nfs/dbraw/zinc/08/40/15/353084015.db2.gz XMTFSZKVHRDNCC-UWVGGRQHSA-N 2 0 209.293 -0.441 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919383 353083878 /nfs/dbraw/zinc/08/38/78/353083878.db2.gz OJCHRSWVLUMNKI-AOOOYVTPSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919786 353078380 /nfs/dbraw/zinc/07/83/80/353078380.db2.gz SFDCPJIGPBCMPK-BBBLOLIVSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919787 353078244 /nfs/dbraw/zinc/07/82/44/353078244.db2.gz SFDCPJIGPBCMPK-LPEHRKFASA-N 2 0 211.309 -0.195 20 0 BBADRP O=C(CCOC1C[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924634 353085097 /nfs/dbraw/zinc/08/50/97/353085097.db2.gz CQZHLRSHLPCOJI-AOOOYVTPSA-N 2 0 239.319 -0.672 20 0 BBADRP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000638924666 353085260 /nfs/dbraw/zinc/08/52/60/353085260.db2.gz CWYMUKMKDUAQDW-LPEHRKFASA-N 2 0 211.309 -0.101 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924682 353084998 /nfs/dbraw/zinc/08/49/98/353084998.db2.gz DBPYYMJNTOTTIA-AATLWQCWSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924683 353085031 /nfs/dbraw/zinc/08/50/31/353085031.db2.gz DBPYYMJNTOTTIA-KYXWUPHJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924684 353085525 /nfs/dbraw/zinc/08/55/25/353085525.db2.gz DBPYYMJNTOTTIA-QCLAVDOMSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000638924685 353085521 /nfs/dbraw/zinc/08/55/21/353085521.db2.gz DBPYYMJNTOTTIA-RGOKHQFPSA-N 2 0 211.309 -0.068 20 0 BBADRP [NH3+][C@H](CC(F)F)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924768 353085552 /nfs/dbraw/zinc/08/55/52/353085552.db2.gz FPVBVPZECRDTIY-GJMOJQLCSA-N 2 0 233.262 -0.068 20 0 BBADRP [NH3+][C@@H](CC(F)F)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924770 353085505 /nfs/dbraw/zinc/08/55/05/353085505.db2.gz FPVBVPZECRDTIY-RNJXMRFFSA-N 2 0 233.262 -0.068 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925357 353086294 /nfs/dbraw/zinc/08/62/94/353086294.db2.gz NWNGKBSUNWDUPD-AXFHLTTASA-N 2 0 239.319 -0.672 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925358 353085992 /nfs/dbraw/zinc/08/59/92/353085992.db2.gz NWNGKBSUNWDUPD-OUAUKWLOSA-N 2 0 239.319 -0.672 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925446 353085960 /nfs/dbraw/zinc/08/59/60/353085960.db2.gz MTRCPWCFXHCZRP-CHWFTXMASA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925447 353086184 /nfs/dbraw/zinc/08/61/84/353086184.db2.gz MTRCPWCFXHCZRP-MMWGEVLESA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925448 353085914 /nfs/dbraw/zinc/08/59/14/353085914.db2.gz MTRCPWCFXHCZRP-UKKRHICBSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925449 353086073 /nfs/dbraw/zinc/08/60/73/353086073.db2.gz MTRCPWCFXHCZRP-ZNSHCXBVSA-N 2 0 223.320 -0.053 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925454 353085973 /nfs/dbraw/zinc/08/59/73/353085973.db2.gz MXDRPIBXFYEPTC-AEJSXWLSSA-N 2 0 223.320 -0.053 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925455 353086272 /nfs/dbraw/zinc/08/62/72/353086272.db2.gz MXDRPIBXFYEPTC-KXUCPTDWSA-N 2 0 223.320 -0.053 20 0 BBADRP O=C(C[C@@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925486 353085916 /nfs/dbraw/zinc/08/59/16/353085916.db2.gz OBUXRZOQIHKASN-GARJFASQSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[C@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925487 353086117 /nfs/dbraw/zinc/08/61/17/353086117.db2.gz OBUXRZOQIHKASN-MXWKQRLJSA-N 2 0 223.320 -0.051 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925507 353085911 /nfs/dbraw/zinc/08/59/11/353085911.db2.gz PDFZNIRHQKKSPP-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925508 353085981 /nfs/dbraw/zinc/08/59/81/353085981.db2.gz PDFZNIRHQKKSPP-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925564 353086111 /nfs/dbraw/zinc/08/61/11/353086111.db2.gz QYDFYKIMQKMXGF-NZFPMDFQSA-N 2 0 221.304 -0.300 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925633 353085961 /nfs/dbraw/zinc/08/59/61/353085961.db2.gz UNGBZFSTCSAXGF-XBLOIYCDSA-N 2 0 221.304 -0.585 20 0 BBADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925695 353086233 /nfs/dbraw/zinc/08/62/33/353086233.db2.gz TUKHTBBANLBVDS-LSCVPOLPSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925696 353086100 /nfs/dbraw/zinc/08/61/00/353086100.db2.gz TUKHTBBANLBVDS-NOHGZBONSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925697 353086201 /nfs/dbraw/zinc/08/62/01/353086201.db2.gz TUKHTBBANLBVDS-SRRSOLGSSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925698 353086080 /nfs/dbraw/zinc/08/60/80/353086080.db2.gz TUKHTBBANLBVDS-XZUYRWCXSA-N 2 0 235.331 -0.051 20 0 BBADRP [NH3+]C1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000638925723 353086136 /nfs/dbraw/zinc/08/61/36/353086136.db2.gz UWXQROQNTYOVHK-DTORHVGOSA-N 2 0 209.293 -0.169 20 0 BBADRP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000638925916 353086706 /nfs/dbraw/zinc/08/67/06/353086706.db2.gz CWYMUKMKDUAQDW-BBBLOLIVSA-N 2 0 211.309 -0.101 20 0 BBADRP CC1(OCC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC000638926189 353086820 /nfs/dbraw/zinc/08/68/20/353086820.db2.gz WNQIEAHMKWWUPB-AOOOYVTPSA-N 2 0 239.319 -0.672 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926197 353086631 /nfs/dbraw/zinc/08/66/31/353086631.db2.gz CMNJYQJLURETNT-AXFHLTTASA-N 2 0 241.335 -0.299 20 0 BBADRP O=C(C[NH2+]C1CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926290 353086781 /nfs/dbraw/zinc/08/67/81/353086781.db2.gz YQQHNOGOMMCXGW-AOOOYVTPSA-N 2 0 209.293 -0.299 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926329 353086581 /nfs/dbraw/zinc/08/65/81/353086581.db2.gz DMJQDLGBBOJXAJ-GARJFASQSA-N 2 0 221.304 -0.003 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926330 353086726 /nfs/dbraw/zinc/08/67/26/353086726.db2.gz DMJQDLGBBOJXAJ-MXWKQRLJSA-N 2 0 221.304 -0.003 20 0 BBADRP C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000638926490 353086587 /nfs/dbraw/zinc/08/65/87/353086587.db2.gz HCAKIORUCVOADX-JFGNBEQYSA-N 2 0 239.319 -0.672 20 0 BBADRP C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000638926491 353086579 /nfs/dbraw/zinc/08/65/79/353086579.db2.gz HCAKIORUCVOADX-UMNHJUIQSA-N 2 0 239.319 -0.672 20 0 BBADRP CC(C)[NH2+]CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926557 353087221 /nfs/dbraw/zinc/08/72/21/353087221.db2.gz JJUFILHJEAERIP-AOOOYVTPSA-N 2 0 211.309 -0.053 20 0 BBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926794 398204558 /nfs/dbraw/zinc/20/45/58/398204558.db2.gz MMKFXOSWMAHWER-LMLFDSFASA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926795 398204821 /nfs/dbraw/zinc/20/48/21/398204821.db2.gz MMKFXOSWMAHWER-VLEAKVRGSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926796 398204830 /nfs/dbraw/zinc/20/48/30/398204830.db2.gz MMKFXOSWMAHWER-YTWAJWBKSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926797 398204813 /nfs/dbraw/zinc/20/48/13/398204813.db2.gz MMKFXOSWMAHWER-ZRUFSTJUSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926818 398204567 /nfs/dbraw/zinc/20/45/67/398204567.db2.gz MYVILIBYHKLZNJ-RGOKHQFPSA-N 2 0 225.292 -0.935 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926824 398204826 /nfs/dbraw/zinc/20/48/26/398204826.db2.gz NDGWKANLQKNGPR-BBBLOLIVSA-N 2 0 211.309 -0.053 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926825 398204842 /nfs/dbraw/zinc/20/48/42/398204842.db2.gz NDGWKANLQKNGPR-LPEHRKFASA-N 2 0 211.309 -0.053 20 0 BBADRP [NH3+]C1(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000638926876 398204792 /nfs/dbraw/zinc/20/47/92/398204792.db2.gz OBSARAWUHHXKSG-DTORHVGOSA-N 2 0 209.293 -0.169 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926904 398204788 /nfs/dbraw/zinc/20/47/88/398204788.db2.gz OZHSOARXZRPVON-HKBCETJISA-N 2 0 209.293 -0.314 20 0 BBADRP O=C(CCC1C[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927377 398205463 /nfs/dbraw/zinc/20/54/63/398205463.db2.gz XVLNKZQRHMBYAO-PHIMTYICSA-N 2 0 223.320 -0.051 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927392 398205477 /nfs/dbraw/zinc/20/54/77/398205477.db2.gz UJKDXHKGIABJIP-AEJSXWLSSA-N 2 0 211.309 -0.053 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927393 398205240 /nfs/dbraw/zinc/20/52/40/398205240.db2.gz UJKDXHKGIABJIP-KXUCPTDWSA-N 2 0 211.309 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638928930 353098600 /nfs/dbraw/zinc/09/86/00/353098600.db2.gz CSKXUUPFNRKNLO-AEJSXWLSSA-N 2 0 229.324 -0.313 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638928934 353098554 /nfs/dbraw/zinc/09/85/54/353098554.db2.gz CSKXUUPFNRKNLO-BBBLOLIVSA-N 2 0 229.324 -0.313 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638928935 353098685 /nfs/dbraw/zinc/09/86/85/353098685.db2.gz CSKXUUPFNRKNLO-GUBZILKMSA-N 2 0 229.324 -0.313 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638928936 353098622 /nfs/dbraw/zinc/09/86/22/353098622.db2.gz CSKXUUPFNRKNLO-UTLUCORTSA-N 2 0 229.324 -0.313 20 0 BBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638929062 353098704 /nfs/dbraw/zinc/09/87/04/353098704.db2.gz PDVFVJFJSCEKHC-QWRGUYRKSA-N 2 0 223.320 -0.099 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)COC1CC[NH2+]CC1 ZINC000638931029 353091964 /nfs/dbraw/zinc/09/19/64/353091964.db2.gz YBHAJRQKWHUNGE-NXEZZACHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)COC1CC[NH2+]CC1 ZINC000638931031 353091938 /nfs/dbraw/zinc/09/19/38/353091938.db2.gz YBHAJRQKWHUNGE-UWVGGRQHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)COC1CC[NH2+]CC1 ZINC000638931032 411515276 /nfs/dbraw/zinc/51/52/76/411515276.db2.gz YBHAJRQKWHUNGE-VHSXEESVSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)COC1CC[NH2+]CC1 ZINC000638931033 411515320 /nfs/dbraw/zinc/51/53/20/411515320.db2.gz YBHAJRQKWHUNGE-ZJUUUORDSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638931488 353092445 /nfs/dbraw/zinc/09/24/45/353092445.db2.gz MOHGNIZQBKKBMM-KATARQTJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638931489 353092526 /nfs/dbraw/zinc/09/25/26/353092526.db2.gz MOHGNIZQBKKBMM-QEYWKRMJSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638931490 353092515 /nfs/dbraw/zinc/09/25/15/353092515.db2.gz MOHGNIZQBKKBMM-RGOKHQFPSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638931491 353092552 /nfs/dbraw/zinc/09/25/52/353092552.db2.gz MOHGNIZQBKKBMM-XKNYDFJKSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000638931497 353092438 /nfs/dbraw/zinc/09/24/38/353092438.db2.gz MRUBNKCQGCSSEA-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000638931498 353092501 /nfs/dbraw/zinc/09/25/01/353092501.db2.gz MRUBNKCQGCSSEA-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000638931499 353092544 /nfs/dbraw/zinc/09/25/44/353092544.db2.gz MRUBNKCQGCSSEA-IVZWLZJFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000638931500 353092570 /nfs/dbraw/zinc/09/25/70/353092570.db2.gz MRUBNKCQGCSSEA-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638932090 353093899 /nfs/dbraw/zinc/09/38/99/353093899.db2.gz UFNZTGLXKNEAHR-FKTZTGRPSA-N 2 0 209.293 -0.018 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638932091 353093794 /nfs/dbraw/zinc/09/37/94/353093794.db2.gz UFNZTGLXKNEAHR-JEZHCXPESA-N 2 0 209.293 -0.018 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638932092 353093886 /nfs/dbraw/zinc/09/38/86/353093886.db2.gz UFNZTGLXKNEAHR-QNSHHTMESA-N 2 0 209.293 -0.018 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638932093 353093898 /nfs/dbraw/zinc/09/38/98/353093898.db2.gz UFNZTGLXKNEAHR-SZEHBUNVSA-N 2 0 209.293 -0.018 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638932471 353094178 /nfs/dbraw/zinc/09/41/78/353094178.db2.gz SPIMOKKMFVSJRU-KGDYZURWSA-N 2 0 209.293 -0.600 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638932472 353094186 /nfs/dbraw/zinc/09/41/86/353094186.db2.gz SPIMOKKMFVSJRU-RXKWGBCNSA-N 2 0 209.293 -0.600 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638932473 353094430 /nfs/dbraw/zinc/09/44/30/353094430.db2.gz SPIMOKKMFVSJRU-SQXHDICFSA-N 2 0 209.293 -0.600 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638932474 353094211 /nfs/dbraw/zinc/09/42/11/353094211.db2.gz SPIMOKKMFVSJRU-VFCFLDTKSA-N 2 0 209.293 -0.600 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCOC1C[NH2+]C1 ZINC000638932943 353094895 /nfs/dbraw/zinc/09/48/95/353094895.db2.gz ATAJWNWLGLBEAC-BDAKNGLRSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCOC1C[NH2+]C1 ZINC000638932944 353094988 /nfs/dbraw/zinc/09/49/88/353094988.db2.gz ATAJWNWLGLBEAC-DTWKUNHWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CCOC1C[NH2+]C1 ZINC000638932945 353094837 /nfs/dbraw/zinc/09/48/37/353094837.db2.gz ATAJWNWLGLBEAC-IUCAKERBSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCOC1C[NH2+]C1 ZINC000638932946 353094771 /nfs/dbraw/zinc/09/47/71/353094771.db2.gz ATAJWNWLGLBEAC-RKDXNWHRSA-N 2 0 227.308 -0.687 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638932991 353095052 /nfs/dbraw/zinc/09/50/52/353095052.db2.gz BMVSRUGMQIUPGC-CIUDSAMLSA-N 2 0 215.297 -0.702 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638932992 353094874 /nfs/dbraw/zinc/09/48/74/353094874.db2.gz BMVSRUGMQIUPGC-HLTSFMKQSA-N 2 0 215.297 -0.702 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638932993 353094847 /nfs/dbraw/zinc/09/48/47/353094847.db2.gz BMVSRUGMQIUPGC-VGMNWLOBSA-N 2 0 215.297 -0.702 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638932994 353094849 /nfs/dbraw/zinc/09/48/49/353094849.db2.gz BMVSRUGMQIUPGC-YIZRAAEISA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638933554 353095997 /nfs/dbraw/zinc/09/59/97/353095997.db2.gz XZKBZHVKBRAMQX-HLTSFMKQSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000638933555 353096054 /nfs/dbraw/zinc/09/60/54/353096054.db2.gz XZKBZHVKBRAMQX-HRDYMLBCSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000638933556 353096209 /nfs/dbraw/zinc/09/62/09/353096209.db2.gz XZKBZHVKBRAMQX-IWSPIJDZSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638933558 353096025 /nfs/dbraw/zinc/09/60/25/353096025.db2.gz XZKBZHVKBRAMQX-VGMNWLOBSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000638933940 353096585 /nfs/dbraw/zinc/09/65/85/353096585.db2.gz DKAKODNSJVECRL-BBBLOLIVSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638933941 353097013 /nfs/dbraw/zinc/09/70/13/353097013.db2.gz DKAKODNSJVECRL-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638933943 353096962 /nfs/dbraw/zinc/09/69/62/353096962.db2.gz DKAKODNSJVECRL-OPRDCNLKSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000638933945 353096701 /nfs/dbraw/zinc/09/67/01/353096701.db2.gz DKAKODNSJVECRL-UTLUCORTSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638934490 353098225 /nfs/dbraw/zinc/09/82/25/353098225.db2.gz ILSSIDYPTPWEKO-DTHBNOIPSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638934492 353097934 /nfs/dbraw/zinc/09/79/34/353097934.db2.gz ILSSIDYPTPWEKO-FYLLDIAZSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638934494 353098015 /nfs/dbraw/zinc/09/80/15/353098015.db2.gz ILSSIDYPTPWEKO-KLBPJQLPSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638934496 353098242 /nfs/dbraw/zinc/09/82/42/353098242.db2.gz ILSSIDYPTPWEKO-WDCWCFNPSA-N 2 0 223.320 -0.066 20 0 BBADRP CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC000638939937 353124771 /nfs/dbraw/zinc/12/47/71/353124771.db2.gz OPDWORSICZHNAR-DTORHVGOSA-N 2 0 209.293 -0.441 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638939986 353125333 /nfs/dbraw/zinc/12/53/33/353125333.db2.gz OZHSOARXZRPVON-YNFQOJQRSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000638941945 353134493 /nfs/dbraw/zinc/13/44/93/353134493.db2.gz AHKROWZYELBRMN-DCAQKATOSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000638941946 353134335 /nfs/dbraw/zinc/13/43/35/353134335.db2.gz AHKROWZYELBRMN-GMTAPVOTSA-N 2 0 241.335 -0.392 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943123 353141435 /nfs/dbraw/zinc/14/14/35/353141435.db2.gz PSNRUDYDPIZXGH-XYPYZODXSA-N 2 0 243.351 -0.144 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943820 353143967 /nfs/dbraw/zinc/14/39/67/353143967.db2.gz WMMPCSYFWBHWSL-MGCOHNPYSA-N 2 0 229.324 -0.405 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)[C@@H](C)O1 ZINC000638944600 353146303 /nfs/dbraw/zinc/14/63/03/353146303.db2.gz WHENDEQBNYNMEH-DBIOUOCHSA-N 2 0 243.351 -0.053 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)[C@H](C)O1 ZINC000638944601 353146129 /nfs/dbraw/zinc/14/61/29/353146129.db2.gz WHENDEQBNYNMEH-RCWTZXSCSA-N 2 0 243.351 -0.053 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)[C@H](C)O1 ZINC000638944602 353146503 /nfs/dbraw/zinc/14/65/03/353146503.db2.gz WHENDEQBNYNMEH-YTWAJWBKSA-N 2 0 243.351 -0.053 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)[C@@H](C)O1 ZINC000638944603 353146360 /nfs/dbraw/zinc/14/63/60/353146360.db2.gz WHENDEQBNYNMEH-ZNSHCXBVSA-N 2 0 243.351 -0.053 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638945602 353147815 /nfs/dbraw/zinc/14/78/15/353147815.db2.gz GXBLWAOIAXZRFK-GMTAPVOTSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638945603 353147626 /nfs/dbraw/zinc/14/76/26/353147626.db2.gz GXBLWAOIAXZRFK-MXWKQRLJSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638945604 353147690 /nfs/dbraw/zinc/14/76/90/353147690.db2.gz GXBLWAOIAXZRFK-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638945605 353147683 /nfs/dbraw/zinc/14/76/83/353147683.db2.gz GXBLWAOIAXZRFK-VWYCJHECSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638946827 353149460 /nfs/dbraw/zinc/14/94/60/353149460.db2.gz PMNUPJPFEHRFRU-BBBLOLIVSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638946828 353149295 /nfs/dbraw/zinc/14/92/95/353149295.db2.gz PMNUPJPFEHRFRU-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638946829 353149412 /nfs/dbraw/zinc/14/94/12/353149412.db2.gz PMNUPJPFEHRFRU-OPRDCNLKSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638946830 353149448 /nfs/dbraw/zinc/14/94/48/353149448.db2.gz PMNUPJPFEHRFRU-UTLUCORTSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH2+]CC1CC1 ZINC000638946887 353149547 /nfs/dbraw/zinc/14/95/47/353149547.db2.gz QQBZMISSVPNCAY-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH2+]CC1CC1 ZINC000638946888 353149512 /nfs/dbraw/zinc/14/95/12/353149512.db2.gz QQBZMISSVPNCAY-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C[NH2+]CC1CC1 ZINC000638946889 353149366 /nfs/dbraw/zinc/14/93/66/353149366.db2.gz QQBZMISSVPNCAY-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C[NH2+]CC1CC1 ZINC000638946890 353149591 /nfs/dbraw/zinc/14/95/91/353149591.db2.gz QQBZMISSVPNCAY-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638950168 353154958 /nfs/dbraw/zinc/15/49/58/353154958.db2.gz IWSDWNYPBMWNTG-XWLWVQCSSA-N 2 0 241.335 -0.264 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638968001 353175760 /nfs/dbraw/zinc/17/57/60/353175760.db2.gz NJQUCCWCGYTFBZ-DCAQKATOSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638968002 353175771 /nfs/dbraw/zinc/17/57/71/353175771.db2.gz NJQUCCWCGYTFBZ-GMTAPVOTSA-N 2 0 243.351 -0.016 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000638971578 353178937 /nfs/dbraw/zinc/17/89/37/353178937.db2.gz ZMGNHTXLZJUBKQ-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986865 353215748 /nfs/dbraw/zinc/21/57/48/353215748.db2.gz FVFZNPCIDLMAJE-UHFFFAOYSA-N 3 0 249.318 -0.222 20 0 BBADRP [NH3+]CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638986950 353216233 /nfs/dbraw/zinc/21/62/33/353216233.db2.gz JDCAKSNXIZIRHK-UHFFFAOYSA-N 2 0 235.291 -0.612 20 0 BBADRP C[NH2+]CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987308 353212645 /nfs/dbraw/zinc/21/26/45/353212645.db2.gz PEXQQMQIFKUSTD-UHFFFAOYSA-N 2 0 249.318 -0.351 20 0 BBADRP C[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987729 353219604 /nfs/dbraw/zinc/21/96/04/353219604.db2.gz XKBQFDYPMVHOJQ-SECBINFHSA-N 2 0 249.318 -0.223 20 0 BBADRP C[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987730 353219615 /nfs/dbraw/zinc/21/96/15/353219615.db2.gz XKBQFDYPMVHOJQ-VIFPVBQESA-N 2 0 249.318 -0.223 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996221 353239735 /nfs/dbraw/zinc/23/97/35/353239735.db2.gz CAENMAKIMUQOSM-VIFPVBQESA-N 2 0 229.324 -0.262 20 0 BBADRP [NH3+]CC1(NC(=O)[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000638997809 353240529 /nfs/dbraw/zinc/24/05/29/353240529.db2.gz XVPMLRRXWPYEAF-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]CCOCC(=O)NC1(C[NH3+])CCCCC1 ZINC000639001914 353250172 /nfs/dbraw/zinc/25/01/72/353250172.db2.gz RFNVPLDMEYSHLA-UHFFFAOYSA-N 2 0 229.324 -0.261 20 0 BBADRP [NH3+]CC1(NC(=O)[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000639002141 353250157 /nfs/dbraw/zinc/25/01/57/353250157.db2.gz XVPMLRRXWPYEAF-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP CC(C)[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@@H+]1C ZINC000639018492 353274594 /nfs/dbraw/zinc/27/45/94/353274594.db2.gz LWWRXDHBWZQKNV-SNVBAGLBSA-N 2 0 241.335 -0.881 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639019453 353276307 /nfs/dbraw/zinc/27/63/07/353276307.db2.gz ASTMEHHHSAMQEW-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639019454 353276243 /nfs/dbraw/zinc/27/62/43/353276243.db2.gz ASTMEHHHSAMQEW-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639019455 353276268 /nfs/dbraw/zinc/27/62/68/353276268.db2.gz ASTMEHHHSAMQEW-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639019456 353276089 /nfs/dbraw/zinc/27/60/89/353276089.db2.gz ASTMEHHHSAMQEW-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020944 353279199 /nfs/dbraw/zinc/27/91/99/353279199.db2.gz CEDKXBGOKFMSFZ-GHMZBOCLSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639020945 353279197 /nfs/dbraw/zinc/27/91/97/353279197.db2.gz CEDKXBGOKFMSFZ-MNOVXSKESA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020947 353279376 /nfs/dbraw/zinc/27/93/76/353279376.db2.gz CEDKXBGOKFMSFZ-QWRGUYRKSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020948 353279177 /nfs/dbraw/zinc/27/91/77/353279177.db2.gz CEDKXBGOKFMSFZ-WDEREUQCSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]CCO1 ZINC000639029560 353296401 /nfs/dbraw/zinc/29/64/01/353296401.db2.gz HYZATMDPHTVDFQ-CKYFFXLPSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]CCO1 ZINC000639029561 353295947 /nfs/dbraw/zinc/29/59/47/353295947.db2.gz HYZATMDPHTVDFQ-NHCYSSNCSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@H]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000639030938 353298382 /nfs/dbraw/zinc/29/83/82/353298382.db2.gz KZMZIPWWICLTHE-MGCOHNPYSA-N 2 0 241.335 -0.249 20 0 BBADRP CC1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]C1 ZINC000639031152 353298423 /nfs/dbraw/zinc/29/84/23/353298423.db2.gz IQFXNWVHZAVFPL-KYZUINATSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000639031225 353298296 /nfs/dbraw/zinc/29/82/96/353298296.db2.gz PQFMSYWLDAXDAD-UFJGTKINSA-N 2 0 223.320 -0.162 20 0 BBADRP CC1(OCC(=O)N[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]C1 ZINC000639031784 353300896 /nfs/dbraw/zinc/30/08/96/353300896.db2.gz WVBAXYSOAWPPAC-MGCOHNPYSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@H]1CC[C@H](NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000639033029 353304444 /nfs/dbraw/zinc/30/44/44/353304444.db2.gz CVENORXGDGYGMS-XYPYZODXSA-N 2 0 240.351 -0.722 20 0 BBADRP CNC(=O)CN(C)CCc1cncn1C ZINC000639450545 356234895 /nfs/dbraw/zinc/23/48/95/356234895.db2.gz RODIHRSAWPZWFH-UHFFFAOYSA-N 2 0 210.281 -0.360 20 0 BBADRP c1nc2n(n1)[C@H](C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000639457274 356242998 /nfs/dbraw/zinc/24/29/98/356242998.db2.gz RRUQMNLQRCNWQT-DCAQKATOSA-N 2 0 233.319 -0.083 20 0 BBADRP c1nc2n(n1)[C@H](C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000639457275 356242865 /nfs/dbraw/zinc/24/28/65/356242865.db2.gz RRUQMNLQRCNWQT-MXWKQRLJSA-N 2 0 233.319 -0.083 20 0 BBADRP C[C@@H](C(=O)NCCNc1cc[nH+]cc1)[NH+](C)C ZINC000639557463 356462381 /nfs/dbraw/zinc/46/23/81/356462381.db2.gz HKMCSNUXRSZBJP-JTQLQIEISA-N 2 0 236.319 -0.018 20 0 BBADRP C[C@H](C(=O)NCCNc1cc[nH+]cc1)[NH+](C)C ZINC000639557469 356462333 /nfs/dbraw/zinc/46/23/33/356462333.db2.gz HKMCSNUXRSZBJP-SNVBAGLBSA-N 2 0 236.319 -0.018 20 0 BBADRP Cn1cncc1CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000639610339 356528079 /nfs/dbraw/zinc/52/80/79/356528079.db2.gz SDPAVVPUPABYRS-CMPLNLGQSA-N 2 0 239.319 -0.362 20 0 BBADRP Cn1cncc1CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000639610340 356527995 /nfs/dbraw/zinc/52/79/95/356527995.db2.gz SDPAVVPUPABYRS-JQWIXIFHSA-N 2 0 239.319 -0.362 20 0 BBADRP Cn1cncc1CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000639610341 356528417 /nfs/dbraw/zinc/52/84/17/356528417.db2.gz SDPAVVPUPABYRS-PWSUYJOCSA-N 2 0 239.319 -0.362 20 0 BBADRP Cn1cncc1CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000639610342 356527840 /nfs/dbraw/zinc/52/78/40/356527840.db2.gz SDPAVVPUPABYRS-ZYHUDNBSSA-N 2 0 239.319 -0.362 20 0 BBADRP CO[C@@H]1C[N@H+](CCc2cncn2C)C[C@H]1O ZINC000639664925 356579502 /nfs/dbraw/zinc/57/95/02/356579502.db2.gz SVPBYLGPQVKRHA-GHMZBOCLSA-N 2 0 225.292 -0.346 20 0 BBADRP C[NH+]1CCC2(CC[N@H+](CC(N)=O)C2)CC1 ZINC000639759575 356673227 /nfs/dbraw/zinc/67/32/27/356673227.db2.gz BTMVZTHYFSGOTE-UHFFFAOYSA-N 2 0 211.309 -0.111 20 0 BBADRP C[NH+](C)C[C@]1(O)CCCN([C@H]2CCNC2=O)C1 ZINC000639762396 356685146 /nfs/dbraw/zinc/68/51/46/356685146.db2.gz SIPDBCOBOFWFFP-CMPLNLGQSA-N 2 0 241.335 -0.737 20 0 BBADRP C[NH+](C)C[C@@]1(O)CCCN([C@H]2CCNC2=O)C1 ZINC000639762398 356684536 /nfs/dbraw/zinc/68/45/36/356684536.db2.gz SIPDBCOBOFWFFP-JQWIXIFHSA-N 2 0 241.335 -0.737 20 0 BBADRP C[NH+](C)C[C@@]1(O)CCCN([C@@H]2CCNC2=O)C1 ZINC000639762399 356684738 /nfs/dbraw/zinc/68/47/38/356684738.db2.gz SIPDBCOBOFWFFP-PWSUYJOCSA-N 2 0 241.335 -0.737 20 0 BBADRP C[NH+](C)C[C@]1(O)CCCN([C@@H]2CCNC2=O)C1 ZINC000639762400 356684766 /nfs/dbraw/zinc/68/47/66/356684766.db2.gz SIPDBCOBOFWFFP-ZYHUDNBSSA-N 2 0 241.335 -0.737 20 0 BBADRP CNC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763201 356688727 /nfs/dbraw/zinc/68/87/27/356688727.db2.gz PUKBMFGLPJWCTJ-GFCCVEGCSA-N 2 0 243.351 -0.489 20 0 BBADRP CNC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763205 356689045 /nfs/dbraw/zinc/68/90/45/356689045.db2.gz PUKBMFGLPJWCTJ-LBPRGKRZSA-N 2 0 243.351 -0.489 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH2+]CC1 ZINC000640949164 362095864 /nfs/dbraw/zinc/09/58/64/362095864.db2.gz AETNRBUBNLJSCM-NXEZZACHSA-N 2 0 226.324 -0.401 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH2+]CC1 ZINC000640949165 362095742 /nfs/dbraw/zinc/09/57/42/362095742.db2.gz AETNRBUBNLJSCM-UWVGGRQHSA-N 2 0 226.324 -0.401 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH2+]CC1 ZINC000640949166 362095136 /nfs/dbraw/zinc/09/51/36/362095136.db2.gz AETNRBUBNLJSCM-VHSXEESVSA-N 2 0 226.324 -0.401 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH2+]CC1 ZINC000640949167 362095237 /nfs/dbraw/zinc/09/52/37/362095237.db2.gz AETNRBUBNLJSCM-ZJUUUORDSA-N 2 0 226.324 -0.401 20 0 BBADRP C[NH2+]Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233301 362284987 /nfs/dbraw/zinc/28/49/87/362284987.db2.gz UVJPSKLHMXPBTH-UHFFFAOYSA-N 2 0 209.297 -0.003 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NCCNc1cc[nH+]cc1 ZINC000641423588 362407604 /nfs/dbraw/zinc/40/76/04/362407604.db2.gz CFONQUGEURACPR-SECBINFHSA-N 2 0 237.307 -0.438 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NCCNc1cc[nH+]cc1 ZINC000641423589 362408082 /nfs/dbraw/zinc/40/80/82/362408082.db2.gz CFONQUGEURACPR-VIFPVBQESA-N 2 0 237.307 -0.438 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NC(C)(C)C[NH+](C)C ZINC000641423980 362408534 /nfs/dbraw/zinc/40/85/34/362408534.db2.gz GFUGXILJKTZTOD-MRVPVSSYSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NC(C)(C)C[NH+](C)C ZINC000641423981 362408586 /nfs/dbraw/zinc/40/85/86/362408586.db2.gz GFUGXILJKTZTOD-QMMMGPOBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000641426151 362413170 /nfs/dbraw/zinc/41/31/70/362413170.db2.gz SCSQAWNVWOQJCS-CIUDSAMLSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000641426152 362412352 /nfs/dbraw/zinc/41/23/52/362412352.db2.gz SCSQAWNVWOQJCS-DJLDLDEBSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000641426153 362412977 /nfs/dbraw/zinc/41/29/77/362412977.db2.gz SCSQAWNVWOQJCS-XHNCKOQMSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000641426154 362412831 /nfs/dbraw/zinc/41/28/31/362412831.db2.gz SCSQAWNVWOQJCS-YIZRAAEISA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000641426307 362410876 /nfs/dbraw/zinc/41/08/76/362410876.db2.gz SPWZFQVDPLUPQW-CIUDSAMLSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000641426308 362411007 /nfs/dbraw/zinc/41/10/07/362411007.db2.gz SPWZFQVDPLUPQW-DJLDLDEBSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000641426309 362410599 /nfs/dbraw/zinc/41/05/99/362410599.db2.gz SPWZFQVDPLUPQW-XHNCKOQMSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000641426310 362410750 /nfs/dbraw/zinc/41/07/50/362410750.db2.gz SPWZFQVDPLUPQW-YIZRAAEISA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000641426343 362410502 /nfs/dbraw/zinc/41/05/02/362410502.db2.gz TYADBQJWIOKUDP-MRVPVSSYSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000641426349 362410708 /nfs/dbraw/zinc/41/07/08/362410708.db2.gz TYADBQJWIOKUDP-QMMMGPOBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000641471627 362445389 /nfs/dbraw/zinc/44/53/89/362445389.db2.gz IAMJIWBBTZKLMY-JTQLQIEISA-N 2 0 226.324 -0.105 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000641471628 362445238 /nfs/dbraw/zinc/44/52/38/362445238.db2.gz IAMJIWBBTZKLMY-SNVBAGLBSA-N 2 0 226.324 -0.105 20 0 BBADRP COC[C@@H](C(N)=O)[N@H+](C)CC1CC[NH2+]CC1 ZINC000641793193 362735343 /nfs/dbraw/zinc/73/53/43/362735343.db2.gz HHAHCEKHLPAXLG-JTQLQIEISA-N 2 0 229.324 -0.582 20 0 BBADRP C[N@H+](CCCS(N)(=O)=O)CC(C)(C)C[NH3+] ZINC000641796619 362740266 /nfs/dbraw/zinc/74/02/66/362740266.db2.gz DRGWOXHXTZYYCR-UHFFFAOYSA-N 2 0 237.369 -0.418 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000641796630 362739901 /nfs/dbraw/zinc/73/99/01/362739901.db2.gz FDRYNWVCPYARHG-SECBINFHSA-N 2 0 249.380 -0.276 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000641796631 362740499 /nfs/dbraw/zinc/74/04/99/362740499.db2.gz FDRYNWVCPYARHG-VIFPVBQESA-N 2 0 249.380 -0.276 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000641796716 362740479 /nfs/dbraw/zinc/74/04/79/362740479.db2.gz IIXSUIXBCWCKKF-NXEZZACHSA-N 2 0 249.380 -0.276 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000641796717 362739756 /nfs/dbraw/zinc/73/97/56/362739756.db2.gz IIXSUIXBCWCKKF-UWVGGRQHSA-N 2 0 249.380 -0.276 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000641796718 362740076 /nfs/dbraw/zinc/74/00/76/362740076.db2.gz IIXSUIXBCWCKKF-VHSXEESVSA-N 2 0 249.380 -0.276 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000641796719 362740161 /nfs/dbraw/zinc/74/01/61/362740161.db2.gz IIXSUIXBCWCKKF-ZJUUUORDSA-N 2 0 249.380 -0.276 20 0 BBADRP C[NH2+]CC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000641797168 362741606 /nfs/dbraw/zinc/74/16/06/362741606.db2.gz WOLLRELEXFUMIY-UHFFFAOYSA-N 2 0 249.380 -0.404 20 0 BBADRP CC[C@@H]1C[N@H+](CCCS(N)(=O)=O)CC[C@H]1[NH3+] ZINC000641798557 362744410 /nfs/dbraw/zinc/74/44/10/362744410.db2.gz JOXJWFYCWUYPPM-NXEZZACHSA-N 2 0 249.380 -0.276 20 0 BBADRP CC[C@H]1C[N@H+](CCCS(N)(=O)=O)CC[C@@H]1[NH3+] ZINC000641798560 362744487 /nfs/dbraw/zinc/74/44/87/362744487.db2.gz JOXJWFYCWUYPPM-UWVGGRQHSA-N 2 0 249.380 -0.276 20 0 BBADRP CC[C@H]1C[N@H+](CCCS(N)(=O)=O)CC[C@H]1[NH3+] ZINC000641798562 362744378 /nfs/dbraw/zinc/74/43/78/362744378.db2.gz JOXJWFYCWUYPPM-VHSXEESVSA-N 2 0 249.380 -0.276 20 0 BBADRP CC[C@@H]1C[N@H+](CCCS(N)(=O)=O)CC[C@@H]1[NH3+] ZINC000641798565 362744263 /nfs/dbraw/zinc/74/42/63/362744263.db2.gz JOXJWFYCWUYPPM-ZJUUUORDSA-N 2 0 249.380 -0.276 20 0 BBADRP C[C@@H]1CC[N@H+](CCCS(N)(=O)=O)C[C@H]1C[NH3+] ZINC000641799053 362746129 /nfs/dbraw/zinc/74/61/29/362746129.db2.gz IULGDEAAMCLHHH-NXEZZACHSA-N 2 0 249.380 -0.418 20 0 BBADRP C[C@H]1CC[N@H+](CCCS(N)(=O)=O)C[C@@H]1C[NH3+] ZINC000641799054 362747220 /nfs/dbraw/zinc/74/72/20/362747220.db2.gz IULGDEAAMCLHHH-UWVGGRQHSA-N 2 0 249.380 -0.418 20 0 BBADRP C[C@H]1CC[N@H+](CCCS(N)(=O)=O)C[C@H]1C[NH3+] ZINC000641799055 362746033 /nfs/dbraw/zinc/74/60/33/362746033.db2.gz IULGDEAAMCLHHH-VHSXEESVSA-N 2 0 249.380 -0.418 20 0 BBADRP C[C@@H]1CC[N@H+](CCCS(N)(=O)=O)C[C@@H]1C[NH3+] ZINC000641799056 362746890 /nfs/dbraw/zinc/74/68/90/362746890.db2.gz IULGDEAAMCLHHH-ZJUUUORDSA-N 2 0 249.380 -0.418 20 0 BBADRP NS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000641799091 362746393 /nfs/dbraw/zinc/74/63/93/362746393.db2.gz JKZPZXUDNKRJPZ-RKDXNWHRSA-N 2 0 235.353 -0.476 20 0 BBADRP NS(=O)(=O)CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000641799326 362748687 /nfs/dbraw/zinc/74/86/87/362748687.db2.gz ULZVQFNWVWCFCL-JTQLQIEISA-N 2 0 247.364 -0.650 20 0 BBADRP NS(=O)(=O)CCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000641799327 362749066 /nfs/dbraw/zinc/74/90/66/362749066.db2.gz ULZVQFNWVWCFCL-SNVBAGLBSA-N 2 0 247.364 -0.650 20 0 BBADRP NS(=O)(=O)CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000641800169 362750414 /nfs/dbraw/zinc/75/04/14/362750414.db2.gz XSMOTNSVOQIUTM-JTQLQIEISA-N 2 0 249.380 -0.274 20 0 BBADRP NS(=O)(=O)CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000641800170 362749691 /nfs/dbraw/zinc/74/96/91/362749691.db2.gz XSMOTNSVOQIUTM-SNVBAGLBSA-N 2 0 249.380 -0.274 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000641801048 362753035 /nfs/dbraw/zinc/75/30/35/362753035.db2.gz LXEWSRIAHRMQNO-AEJSXWLSSA-N 2 0 213.325 -0.310 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1C[NH2+]CCO1 ZINC000641801049 362753597 /nfs/dbraw/zinc/75/35/97/362753597.db2.gz LXEWSRIAHRMQNO-BBBLOLIVSA-N 2 0 213.325 -0.310 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000641801050 362753355 /nfs/dbraw/zinc/75/33/55/362753355.db2.gz LXEWSRIAHRMQNO-IVZWLZJFSA-N 2 0 213.325 -0.310 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1C[NH2+]CCO1 ZINC000641801051 362753624 /nfs/dbraw/zinc/75/36/24/362753624.db2.gz LXEWSRIAHRMQNO-OPRDCNLKSA-N 2 0 213.325 -0.310 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOCC[NH3+] ZINC000641801496 362754949 /nfs/dbraw/zinc/75/49/49/362754949.db2.gz CUYHDOVSKHDYLH-BDAKNGLRSA-N 3 0 201.314 -0.323 20 0 BBADRP CC1(C)[C@H]([NH2+]CCOCC[NH3+])C[C@@H]1[NH3+] ZINC000641801499 362756914 /nfs/dbraw/zinc/75/69/14/362756914.db2.gz CUYHDOVSKHDYLH-DTWKUNHWSA-N 3 0 201.314 -0.323 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOCC[NH3+] ZINC000641801501 362756947 /nfs/dbraw/zinc/75/69/47/362756947.db2.gz CUYHDOVSKHDYLH-IUCAKERBSA-N 3 0 201.314 -0.323 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOCC[NH3+] ZINC000641801503 362756848 /nfs/dbraw/zinc/75/68/48/362756848.db2.gz CUYHDOVSKHDYLH-RKDXNWHRSA-N 3 0 201.314 -0.323 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801799 362756840 /nfs/dbraw/zinc/75/68/40/362756840.db2.gz VTLRNMMOLRSEOU-KKZNHRDASA-N 2 0 215.341 -0.328 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801800 362756933 /nfs/dbraw/zinc/75/69/33/362756933.db2.gz VTLRNMMOLRSEOU-NGZCFLSTSA-N 2 0 215.341 -0.328 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801801 362756998 /nfs/dbraw/zinc/75/69/98/362756998.db2.gz VTLRNMMOLRSEOU-QXEWZRGKSA-N 2 0 215.341 -0.328 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801802 362756452 /nfs/dbraw/zinc/75/64/52/362756452.db2.gz VTLRNMMOLRSEOU-YWVKMMECSA-N 2 0 215.341 -0.328 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000641802416 362760052 /nfs/dbraw/zinc/76/00/52/362760052.db2.gz KOINKQLRIMXLFD-GHMZBOCLSA-N 3 0 226.368 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000641802417 362760220 /nfs/dbraw/zinc/76/02/20/362760220.db2.gz KOINKQLRIMXLFD-MNOVXSKESA-N 3 0 226.368 -0.393 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000641802418 362759834 /nfs/dbraw/zinc/75/98/34/362759834.db2.gz KOINKQLRIMXLFD-QWRGUYRKSA-N 3 0 226.368 -0.393 20 0 BBADRP CC1(C)[C@H]([NH2+]CCN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000641802419 362759544 /nfs/dbraw/zinc/75/95/44/362759544.db2.gz KOINKQLRIMXLFD-WDEREUQCSA-N 3 0 226.368 -0.393 20 0 BBADRP CCOCCNC(=O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802932 362759388 /nfs/dbraw/zinc/75/93/88/362759388.db2.gz PNIRPQMDAJXQPQ-NXEZZACHSA-N 2 0 243.351 -0.146 20 0 BBADRP CCOCCNC(=O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802933 362759468 /nfs/dbraw/zinc/75/94/68/362759468.db2.gz PNIRPQMDAJXQPQ-UWVGGRQHSA-N 2 0 243.351 -0.146 20 0 BBADRP CCOCCNC(=O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802934 362759661 /nfs/dbraw/zinc/75/96/61/362759661.db2.gz PNIRPQMDAJXQPQ-VHSXEESVSA-N 2 0 243.351 -0.146 20 0 BBADRP CCOCCNC(=O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802935 362760128 /nfs/dbraw/zinc/76/01/28/362760128.db2.gz PNIRPQMDAJXQPQ-ZJUUUORDSA-N 2 0 243.351 -0.146 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000641803096 362759720 /nfs/dbraw/zinc/75/97/20/362759720.db2.gz DPJWVWJVCIEKRF-HTQZYQBOSA-N 2 0 240.307 -0.746 20 0 BBADRP CC1(C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C[C@@H]1[NH3+] ZINC000641803097 362760081 /nfs/dbraw/zinc/76/00/81/362760081.db2.gz DPJWVWJVCIEKRF-JGVFFNPUSA-N 2 0 240.307 -0.746 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000641803098 362760366 /nfs/dbraw/zinc/76/03/66/362760366.db2.gz DPJWVWJVCIEKRF-SFYZADRCSA-N 2 0 240.307 -0.746 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000641803099 362760426 /nfs/dbraw/zinc/76/04/26/362760426.db2.gz DPJWVWJVCIEKRF-YUMQZZPRSA-N 2 0 240.307 -0.746 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804647 362761888 /nfs/dbraw/zinc/76/18/88/362761888.db2.gz KYNUKCOAIMWFPH-BDAKNGLRSA-N 2 0 249.380 -0.359 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641804648 362761458 /nfs/dbraw/zinc/76/14/58/362761458.db2.gz KYNUKCOAIMWFPH-DTWKUNHWSA-N 2 0 249.380 -0.359 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641804656 362761811 /nfs/dbraw/zinc/76/18/11/362761811.db2.gz KYNUKCOAIMWFPH-IUCAKERBSA-N 2 0 249.380 -0.359 20 0 BBADRP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804657 362761303 /nfs/dbraw/zinc/76/13/03/362761303.db2.gz KYNUKCOAIMWFPH-RKDXNWHRSA-N 2 0 249.380 -0.359 20 0 BBADRP COC[C@@H](C(N)=O)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000641805558 362763224 /nfs/dbraw/zinc/76/32/24/362763224.db2.gz NTTRTUPTYPSJHF-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@@H](C(N)=O)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000641805559 362763090 /nfs/dbraw/zinc/76/30/90/362763090.db2.gz NTTRTUPTYPSJHF-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@@H](C(N)=O)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000641808027 362762700 /nfs/dbraw/zinc/76/27/00/362762700.db2.gz XHDLYXSAVLXZFY-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP COC[C@@H](C(N)=O)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000641808165 362762902 /nfs/dbraw/zinc/76/29/02/362762902.db2.gz XHDLYXSAVLXZFY-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H]1C[NH3+] ZINC000641818017 362769060 /nfs/dbraw/zinc/76/90/60/362769060.db2.gz BWAKSFKROTWCCP-RKDXNWHRSA-N 2 0 235.353 -0.808 20 0 BBADRP C[N@H+](CCOCC[NH3+])CCc1cn[nH]c1 ZINC000641821635 362772417 /nfs/dbraw/zinc/77/24/17/362772417.db2.gz NEKGWLLFSDDMLI-UHFFFAOYSA-N 2 0 212.297 -0.141 20 0 BBADRP Cn1cncc1CC[N@H+](C)CCOCC[NH3+] ZINC000641823035 362772039 /nfs/dbraw/zinc/77/20/39/362772039.db2.gz PSECUTVUTRIHBI-UHFFFAOYSA-N 2 0 226.324 -0.130 20 0 BBADRP NS(=O)(=O)CCC[NH+]1CCC(CC[NH3+])CC1 ZINC000641824659 362774181 /nfs/dbraw/zinc/77/41/81/362774181.db2.gz WRUBKTXMOOUOGM-UHFFFAOYSA-N 2 0 249.380 -0.274 20 0 BBADRP C[C@H]([NH3+])CNc1cc(-n2cccn2)nc(N)n1 ZINC000643035573 411920440 /nfs/dbraw/zinc/92/04/40/411920440.db2.gz JBYAXXLAYXDMDO-ZETCQYMHSA-N 2 0 233.279 0.004 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000643785660 384335611 /nfs/dbraw/zinc/33/56/11/384335611.db2.gz XGGYTDDZRBVGKC-VHSXEESVSA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000643785938 384333526 /nfs/dbraw/zinc/33/35/26/384333526.db2.gz CJOXXCCDUMUKBK-KXUCPTDWSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000643785939 384333376 /nfs/dbraw/zinc/33/33/76/384333376.db2.gz CJOXXCCDUMUKBK-LPEHRKFASA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643801521 385119343 /nfs/dbraw/zinc/11/93/43/385119343.db2.gz JQBXLCWOYQPQPS-DTWKUNHWSA-N 2 0 209.293 -0.312 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000644064499 385413850 /nfs/dbraw/zinc/41/38/50/385413850.db2.gz MUDAVLMWLFSIEO-GXSJLCMTSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000644064500 385413472 /nfs/dbraw/zinc/41/34/72/385413472.db2.gz MUDAVLMWLFSIEO-KOLCDFICSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000644064501 385413165 /nfs/dbraw/zinc/41/31/65/385413165.db2.gz MUDAVLMWLFSIEO-MWLCHTKSSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000644064502 385412958 /nfs/dbraw/zinc/41/29/58/385412958.db2.gz MUDAVLMWLFSIEO-ONGXEEELSA-N 2 0 231.340 -0.160 20 0 BBADRP COC[C@@]1(C(=O)N(C)CCC[NH3+])CC[NH2+]C1 ZINC000644067197 385416586 /nfs/dbraw/zinc/41/65/86/385416586.db2.gz IYVFVALGWHJYQP-LLVKDONJSA-N 2 0 229.324 -0.580 20 0 BBADRP COC[C@]1(C(=O)N(C)CCC[NH3+])CC[NH2+]C1 ZINC000644067198 385417112 /nfs/dbraw/zinc/41/71/12/385417112.db2.gz IYVFVALGWHJYQP-NSHDSACASA-N 2 0 229.324 -0.580 20 0 BBADRP CN(CCC[NH3+])C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000644067499 385416013 /nfs/dbraw/zinc/41/60/13/385416013.db2.gz ZCRRRSMACUAFGM-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CCC[NH3+])C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000644067500 385416103 /nfs/dbraw/zinc/41/61/03/385416103.db2.gz ZCRRRSMACUAFGM-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000644068578 385417782 /nfs/dbraw/zinc/41/77/82/385417782.db2.gz NRFKPHVKZNZZDZ-KKZNHRDASA-N 2 0 209.293 -0.408 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000644068579 385418099 /nfs/dbraw/zinc/41/80/99/385418099.db2.gz NRFKPHVKZNZZDZ-YWVKMMECSA-N 2 0 209.293 -0.408 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000644068817 385418287 /nfs/dbraw/zinc/41/82/87/385418287.db2.gz CIKVLECBSLANJY-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000644068818 385418080 /nfs/dbraw/zinc/41/80/80/385418080.db2.gz CIKVLECBSLANJY-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000644068819 385418279 /nfs/dbraw/zinc/41/82/79/385418279.db2.gz CIKVLECBSLANJY-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000644068820 385418902 /nfs/dbraw/zinc/41/89/02/385418902.db2.gz CIKVLECBSLANJY-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)CCOC1C[NH2+]C1 ZINC000644076116 385425549 /nfs/dbraw/zinc/42/55/49/385425549.db2.gz ZUVJGYYWDJBOJV-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000644080381 385424449 /nfs/dbraw/zinc/42/44/49/385424449.db2.gz LBUKBWICHPHZKC-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000644080382 385424931 /nfs/dbraw/zinc/42/49/31/385424931.db2.gz LBUKBWICHPHZKC-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000644080383 385425039 /nfs/dbraw/zinc/42/50/39/385425039.db2.gz LBUKBWICHPHZKC-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000644080384 385425380 /nfs/dbraw/zinc/42/53/80/385425380.db2.gz LBUKBWICHPHZKC-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000644080631 385427368 /nfs/dbraw/zinc/42/73/68/385427368.db2.gz WVALARNRZGJYGR-JTQLQIEISA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000644080632 385426721 /nfs/dbraw/zinc/42/67/21/385426721.db2.gz WVALARNRZGJYGR-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(C(=O)NC[C@H]2CCCC[NH2+]2)C[NH2+]C1 ZINC000644081042 385427391 /nfs/dbraw/zinc/42/73/91/385427391.db2.gz HDYGDFLJFNUJTC-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP CC1(C(=O)NC[C@@H]2CCCC[NH2+]2)C[NH2+]C1 ZINC000644081043 385427505 /nfs/dbraw/zinc/42/75/05/385427505.db2.gz HDYGDFLJFNUJTC-VIFPVBQESA-N 2 0 211.309 -0.146 20 0 BBADRP COC[C@@]1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000644083498 385434084 /nfs/dbraw/zinc/43/40/84/385434084.db2.gz JQNDVOWSQBJGDZ-GFCCVEGCSA-N 2 0 241.335 -0.519 20 0 BBADRP COC[C@]1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000644083499 385433096 /nfs/dbraw/zinc/43/30/96/385433096.db2.gz JQNDVOWSQBJGDZ-LBPRGKRZSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CC1(CC(=O)NCC[NH2+]C2CC2)CC1 ZINC000644083518 385434189 /nfs/dbraw/zinc/43/41/89/385434189.db2.gz OAFQKYCMUAHWOK-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000644084166 385433743 /nfs/dbraw/zinc/43/37/43/385433743.db2.gz JBWZQSRCNVPBNM-JTQLQIEISA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000644084167 385433153 /nfs/dbraw/zinc/43/31/53/385433153.db2.gz JBWZQSRCNVPBNM-SNVBAGLBSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NCC[NH2+]C1CC1 ZINC000644084285 385433404 /nfs/dbraw/zinc/43/34/04/385433404.db2.gz TXMLITJUBCHOQT-UHFFFAOYSA-N 2 0 227.308 -0.767 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000644084964 385430941 /nfs/dbraw/zinc/43/09/41/385430941.db2.gz HGRSVXRWKBPLEM-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000644084965 385430374 /nfs/dbraw/zinc/43/03/74/385430374.db2.gz HGRSVXRWKBPLEM-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000644090029 385441078 /nfs/dbraw/zinc/44/10/78/385441078.db2.gz SCKJSVRJXGBTEL-SECBINFHSA-N 2 0 211.309 -0.064 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000644090030 385442143 /nfs/dbraw/zinc/44/21/43/385442143.db2.gz SCKJSVRJXGBTEL-VIFPVBQESA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000644097489 385462420 /nfs/dbraw/zinc/46/24/20/385462420.db2.gz LZLJNKNBONUYSV-GUBZILKMSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000644097490 385461804 /nfs/dbraw/zinc/46/18/04/385461804.db2.gz LZLJNKNBONUYSV-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCC1(F)F ZINC000644097660 385463920 /nfs/dbraw/zinc/46/39/20/385463920.db2.gz IUIXUIOQAYXSET-JGVFFNPUSA-N 2 0 233.262 -0.291 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644097661 385464179 /nfs/dbraw/zinc/46/41/79/385464179.db2.gz IUIXUIOQAYXSET-YUMQZZPRSA-N 2 0 233.262 -0.291 20 0 BBADRP CC(C)[C@@H](C(=O)NCC1C[NH2+]C1)[C@@H](C)[NH3+] ZINC000644104988 385478909 /nfs/dbraw/zinc/47/89/09/385478909.db2.gz OZWMOEVCUFHZMH-PSASIEDQSA-N 2 0 213.325 -0.059 20 0 BBADRP CC(C)[C@H](C(=O)NCC1C[NH2+]C1)[C@@H](C)[NH3+] ZINC000644104989 385479506 /nfs/dbraw/zinc/47/95/06/385479506.db2.gz OZWMOEVCUFHZMH-SCZZXKLOSA-N 2 0 213.325 -0.059 20 0 BBADRP CC(C)[C@@H](C(=O)NCC1C[NH2+]C1)[C@H](C)[NH3+] ZINC000644104990 385479011 /nfs/dbraw/zinc/47/90/11/385479011.db2.gz OZWMOEVCUFHZMH-WCBMZHEXSA-N 2 0 213.325 -0.059 20 0 BBADRP CC(C)[C@H](C(=O)NCC1C[NH2+]C1)[C@H](C)[NH3+] ZINC000644104991 385478826 /nfs/dbraw/zinc/47/88/26/385478826.db2.gz OZWMOEVCUFHZMH-WPRPVWTQSA-N 2 0 213.325 -0.059 20 0 BBADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000644105060 385478732 /nfs/dbraw/zinc/47/87/32/385478732.db2.gz WVEUKTCYDKMIBP-GFCCVEGCSA-N 2 0 233.315 -0.108 20 0 BBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000644105061 385479407 /nfs/dbraw/zinc/47/94/07/385479407.db2.gz WVEUKTCYDKMIBP-LBPRGKRZSA-N 2 0 233.315 -0.108 20 0 BBADRP CO[C@@H]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])[C@H](C[NH3+])C1 ZINC000644106290 385481188 /nfs/dbraw/zinc/48/11/88/385481188.db2.gz QUWZJHBFFGKUQH-CHWFTXMASA-N 2 0 243.351 -0.066 20 0 BBADRP CO[C@@H]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])[C@@H](C[NH3+])C1 ZINC000644106291 385481698 /nfs/dbraw/zinc/48/16/98/385481698.db2.gz QUWZJHBFFGKUQH-GWOFURMSSA-N 2 0 243.351 -0.066 20 0 BBADRP CO[C@@H]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H](C[NH3+])C1 ZINC000644106292 385481382 /nfs/dbraw/zinc/48/13/82/385481382.db2.gz QUWZJHBFFGKUQH-LMLFDSFASA-N 2 0 243.351 -0.066 20 0 BBADRP CO[C@@H]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@H](C[NH3+])C1 ZINC000644106293 385481619 /nfs/dbraw/zinc/48/16/19/385481619.db2.gz QUWZJHBFFGKUQH-VPOLOUISSA-N 2 0 243.351 -0.066 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)C[C@H]21 ZINC000644108011 385485736 /nfs/dbraw/zinc/48/57/36/385485736.db2.gz LKRFNZOSGZAXHP-GWOFURMSSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)C[C@@H]21 ZINC000644108012 385486338 /nfs/dbraw/zinc/48/63/38/385486338.db2.gz LKRFNZOSGZAXHP-LMLFDSFASA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)C[C@H]21 ZINC000644108013 385486383 /nfs/dbraw/zinc/48/63/83/385486383.db2.gz LKRFNZOSGZAXHP-LNFKQOIKSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)C[C@@H]21 ZINC000644108014 385486234 /nfs/dbraw/zinc/48/62/34/385486234.db2.gz LKRFNZOSGZAXHP-UKKRHICBSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000644130368 385510364 /nfs/dbraw/zinc/51/03/64/385510364.db2.gz CBAXXRGGXCJTNA-GFCCVEGCSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000644130369 385510157 /nfs/dbraw/zinc/51/01/57/385510157.db2.gz CBAXXRGGXCJTNA-LBPRGKRZSA-N 2 0 241.335 -0.438 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000644133663 385512637 /nfs/dbraw/zinc/51/26/37/385512637.db2.gz UYTWNXOODVHBIP-JTQLQIEISA-N 2 0 240.351 -0.865 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000644133664 385511024 /nfs/dbraw/zinc/51/10/24/385511024.db2.gz UYTWNXOODVHBIP-SNVBAGLBSA-N 2 0 240.351 -0.865 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]C1 ZINC000644141908 385524599 /nfs/dbraw/zinc/52/45/99/385524599.db2.gz MGGNTGBZQHKOIX-ATZCPNFKSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]C1 ZINC000644141909 385524098 /nfs/dbraw/zinc/52/40/98/385524098.db2.gz MGGNTGBZQHKOIX-QXEWZRGKSA-N 2 0 229.299 -0.198 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000644141924 385521802 /nfs/dbraw/zinc/52/18/02/385521802.db2.gz PBPHOJIKMJMVJY-IUCAKERBSA-N 2 0 229.299 -0.068 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644142731 385525508 /nfs/dbraw/zinc/52/55/08/385525508.db2.gz CXOUAQVCARMLSZ-IUCAKERBSA-N 2 0 245.298 -0.819 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644143007 385526548 /nfs/dbraw/zinc/52/65/48/385526548.db2.gz VQHRTIYBGAPPNI-CIUDSAMLSA-N 2 0 229.299 -0.199 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644143008 385526709 /nfs/dbraw/zinc/52/67/09/385526709.db2.gz VQHRTIYBGAPPNI-XHNCKOQMSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]1 ZINC000644143085 385526599 /nfs/dbraw/zinc/52/65/99/385526599.db2.gz ZXFDEQUHEIDJBV-ATZCPNFKSA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]1 ZINC000644143086 385527016 /nfs/dbraw/zinc/52/70/16/385527016.db2.gz ZXFDEQUHEIDJBV-QXEWZRGKSA-N 2 0 229.299 -0.055 20 0 BBADRP CC1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C[NH2+]C1 ZINC000644144812 385536446 /nfs/dbraw/zinc/53/64/46/385536446.db2.gz NMPFTJMBVOWHQS-SECBINFHSA-N 2 0 223.320 -0.146 20 0 BBADRP CC1(C(=O)N[C@H]2CC23CC[NH2+]CC3)C[NH2+]C1 ZINC000644144813 385535867 /nfs/dbraw/zinc/53/58/67/385535867.db2.gz NMPFTJMBVOWHQS-VIFPVBQESA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(C[NH2+]C1CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145547 385536507 /nfs/dbraw/zinc/53/65/07/385536507.db2.gz KBGGZWOUYIRENK-JTQLQIEISA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145548 385536807 /nfs/dbraw/zinc/53/68/07/385536807.db2.gz KBGGZWOUYIRENK-SNVBAGLBSA-N 2 0 223.320 -0.003 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000644161180 384234582 /nfs/dbraw/zinc/23/45/82/384234582.db2.gz YGJVVCHWRQFNLD-BDAKNGLRSA-N 2 0 227.308 -0.911 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000644161181 384234347 /nfs/dbraw/zinc/23/43/47/384234347.db2.gz YGJVVCHWRQFNLD-DTWKUNHWSA-N 2 0 227.308 -0.911 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000644161182 384233199 /nfs/dbraw/zinc/23/31/99/384233199.db2.gz YGJVVCHWRQFNLD-IUCAKERBSA-N 2 0 227.308 -0.911 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000644161183 384234448 /nfs/dbraw/zinc/23/44/48/384234448.db2.gz YGJVVCHWRQFNLD-RKDXNWHRSA-N 2 0 227.308 -0.911 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000644161188 384233141 /nfs/dbraw/zinc/23/31/41/384233141.db2.gz YYUYOKZYNKEZPW-CIUDSAMLSA-N 2 0 215.297 -0.926 20 0 BBADRP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000644161189 384234392 /nfs/dbraw/zinc/23/43/92/384234392.db2.gz YYUYOKZYNKEZPW-HRDYMLBCSA-N 2 0 215.297 -0.926 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000644161190 384233599 /nfs/dbraw/zinc/23/35/99/384233599.db2.gz YYUYOKZYNKEZPW-VGMNWLOBSA-N 2 0 215.297 -0.926 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000644161191 384233625 /nfs/dbraw/zinc/23/36/25/384233625.db2.gz YYUYOKZYNKEZPW-XHNCKOQMSA-N 2 0 215.297 -0.926 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644164353 384246553 /nfs/dbraw/zinc/24/65/53/384246553.db2.gz HRUYFNJPYZKJCI-CIUDSAMLSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644164354 384247329 /nfs/dbraw/zinc/24/73/29/384247329.db2.gz HRUYFNJPYZKJCI-XHNCKOQMSA-N 2 0 211.309 -0.068 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000644164988 384243743 /nfs/dbraw/zinc/24/37/43/384243743.db2.gz VZMNUKRIUJJPIV-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000644164989 384243020 /nfs/dbraw/zinc/24/30/20/384243020.db2.gz VZMNUKRIUJJPIV-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000644198986 384757534 /nfs/dbraw/zinc/75/75/34/384757534.db2.gz LKWGOHDUHQFGPT-DJLDLDEBSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000644198987 384757551 /nfs/dbraw/zinc/75/75/51/384757551.db2.gz LKWGOHDUHQFGPT-IWSPIJDZSA-N 2 0 214.313 -0.097 20 0 BBADRP COCC[N@H+](C)CCC[NH2+]C[C@@H](C)O ZINC000644520868 384927231 /nfs/dbraw/zinc/92/72/31/384927231.db2.gz NRFRNXWEOQDOFQ-SNVBAGLBSA-N 2 0 204.314 -0.075 20 0 BBADRP COCC[N@H+](C)CCC[NH2+]CCC(N)=O ZINC000644520905 384927392 /nfs/dbraw/zinc/92/73/92/384927392.db2.gz VDTRMECGZDHAOX-UHFFFAOYSA-N 2 0 217.313 -0.580 20 0 BBADRP C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000644539408 397837627 /nfs/dbraw/zinc/83/76/27/397837627.db2.gz IBBVMEXOPBUMKW-GHMZBOCLSA-N 2 0 243.351 -0.456 20 0 BBADRP C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000644539415 397837684 /nfs/dbraw/zinc/83/76/84/397837684.db2.gz IBBVMEXOPBUMKW-MNOVXSKESA-N 2 0 243.351 -0.456 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000644543712 384954246 /nfs/dbraw/zinc/95/42/46/384954246.db2.gz APJRBAPTDKEGEC-GARJFASQSA-N 2 0 241.335 -0.521 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000644543713 384953861 /nfs/dbraw/zinc/95/38/61/384953861.db2.gz APJRBAPTDKEGEC-OUAUKWLOSA-N 2 0 241.335 -0.521 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000644543733 384954737 /nfs/dbraw/zinc/95/47/37/384954737.db2.gz JRZSVCIKZTXMRH-WDEREUQCSA-N 2 0 241.335 -0.521 20 0 BBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000644543832 384953964 /nfs/dbraw/zinc/95/39/64/384953964.db2.gz VXWDVZNGSUQURN-ZRUFSTJUSA-N 2 0 239.319 -0.959 20 0 BBADRP C[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000644548813 384949939 /nfs/dbraw/zinc/94/99/39/384949939.db2.gz GNYKZBFQHWYFIM-GHMZBOCLSA-N 2 0 215.341 -0.407 20 0 BBADRP C[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000644548814 384950308 /nfs/dbraw/zinc/95/03/08/384950308.db2.gz GNYKZBFQHWYFIM-WDEREUQCSA-N 2 0 215.341 -0.407 20 0 BBADRP CC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000644548823 384950518 /nfs/dbraw/zinc/95/05/18/384950518.db2.gz IYYJMFPDDSQBFN-NWDGAFQWSA-N 2 0 229.368 -0.017 20 0 BBADRP CC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000644548824 384950589 /nfs/dbraw/zinc/95/05/89/384950589.db2.gz IYYJMFPDDSQBFN-VXGBXAGGSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH+]1CCN(C(C)(C)C[NH2+]CCC(N)=O)CC1 ZINC000644562212 384962829 /nfs/dbraw/zinc/96/28/29/384962829.db2.gz BNHKLTCIUFRKRN-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP C[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562342 384969006 /nfs/dbraw/zinc/96/90/06/384969006.db2.gz KLKCFZJWUGLBKV-LLVKDONJSA-N 2 0 229.368 -0.017 20 0 BBADRP C[C@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562343 384968797 /nfs/dbraw/zinc/96/87/97/384968797.db2.gz KLKCFZJWUGLBKV-NSHDSACASA-N 2 0 229.368 -0.017 20 0 BBADRP C[C@@H](O)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000644562750 384968505 /nfs/dbraw/zinc/96/85/05/384968505.db2.gz XFPFDBFLPRBQGM-NWDGAFQWSA-N 2 0 229.368 -0.160 20 0 BBADRP C[C@@H](O)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000644562751 384968253 /nfs/dbraw/zinc/96/82/53/384968253.db2.gz XFPFDBFLPRBQGM-VXGBXAGGSA-N 2 0 229.368 -0.160 20 0 BBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2CC2)CC1 ZINC000644578648 384978269 /nfs/dbraw/zinc/97/82/69/384978269.db2.gz VRHOABBHNZAIRQ-CYBMUJFWSA-N 2 0 241.379 -0.016 20 0 BBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2CC2)CC1 ZINC000644578649 384978112 /nfs/dbraw/zinc/97/81/12/384978112.db2.gz VRHOABBHNZAIRQ-ZDUSSCGKSA-N 2 0 241.379 -0.016 20 0 BBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(C)CC2)CC1 ZINC000644583384 384981772 /nfs/dbraw/zinc/98/17/72/384981772.db2.gz ZNQVQZCOKWFMBG-GFCCVEGCSA-N 2 0 241.379 -0.016 20 0 BBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(C)CC2)CC1 ZINC000644583385 384983206 /nfs/dbraw/zinc/98/32/06/384983206.db2.gz ZNQVQZCOKWFMBG-LBPRGKRZSA-N 2 0 241.379 -0.016 20 0 BBADRP C[C@@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000644584103 384980977 /nfs/dbraw/zinc/98/09/77/384980977.db2.gz DSMCAQDZKURQRH-LLVKDONJSA-N 2 0 229.368 -0.017 20 0 BBADRP C[C@@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000644639734 385042752 /nfs/dbraw/zinc/04/27/52/385042752.db2.gz UNHQQQCVJVMNCF-LLVKDONJSA-N 2 0 229.368 -0.017 20 0 BBADRP C[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644642533 385047267 /nfs/dbraw/zinc/04/72/67/385047267.db2.gz HILYIBMQXKQAMG-GRYCIOLGSA-N 2 0 227.352 -0.407 20 0 BBADRP C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644642536 385047563 /nfs/dbraw/zinc/04/75/63/385047563.db2.gz HILYIBMQXKQAMG-IJLUTSLNSA-N 2 0 227.352 -0.407 20 0 BBADRP C[NH+](C)CCN1CCC([NH2+]CCC(N)=O)CC1 ZINC000644677751 385089363 /nfs/dbraw/zinc/08/93/63/385089363.db2.gz AFQVMKYSBCMQKL-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP C[C@@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000644677859 385089795 /nfs/dbraw/zinc/08/97/95/385089795.db2.gz KOHCCNUWYDHWJS-LLVKDONJSA-N 2 0 229.368 -0.017 20 0 BBADRP C[N@H+](C[C@@H](O)CN1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714707 385131531 /nfs/dbraw/zinc/13/15/31/385131531.db2.gz XSSBLWQENJQJCM-NDBYEHHHSA-N 2 0 240.347 -0.388 20 0 BBADRP C[N@H+](C[C@H](O)CN1C[C@H]2[C@H](CO)[C@H]2C1)C1CC1 ZINC000644714708 385130493 /nfs/dbraw/zinc/13/04/93/385130493.db2.gz XSSBLWQENJQJCM-WUHRBBMRSA-N 2 0 240.347 -0.388 20 0 BBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000645506363 387308782 /nfs/dbraw/zinc/30/87/82/387308782.db2.gz MNWMROLZEMKFQP-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000645506364 387310234 /nfs/dbraw/zinc/31/02/34/387310234.db2.gz MNWMROLZEMKFQP-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@@H]1CCC[N@H+](CCNC(=O)COCC[NH3+])C1 ZINC000645506592 387330427 /nfs/dbraw/zinc/33/04/27/387330427.db2.gz ZLRVNXNIKNFLJE-LLVKDONJSA-N 2 0 243.351 -0.190 20 0 BBADRP C[C@H]1CCC[N@H+](CCNC(=O)COCC[NH3+])C1 ZINC000645506593 387330370 /nfs/dbraw/zinc/33/03/70/387330370.db2.gz ZLRVNXNIKNFLJE-NSHDSACASA-N 2 0 243.351 -0.190 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NCCNc1cc[nH+]cc1 ZINC000645642410 387945571 /nfs/dbraw/zinc/94/55/71/387945571.db2.gz HVIFPIIPABKNED-SECBINFHSA-N 2 0 222.292 -0.231 20 0 BBADRP [NH3+]CCOCC(=O)NCCNc1cc[nH+]cc1 ZINC000645643252 387948174 /nfs/dbraw/zinc/94/81/74/387948174.db2.gz RTBAXKNEFLSVDE-UHFFFAOYSA-N 2 0 238.291 -0.993 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000645685287 387269917 /nfs/dbraw/zinc/26/99/17/387269917.db2.gz ZGACAXNRRGRYCC-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000645685288 387270813 /nfs/dbraw/zinc/27/08/13/387270813.db2.gz ZGACAXNRRGRYCC-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645802686 387941599 /nfs/dbraw/zinc/94/15/99/387941599.db2.gz FFHUCACSEKEADK-UHFFFAOYSA-N 2 0 225.296 -0.397 20 0 BBADRP C[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645802712 387940743 /nfs/dbraw/zinc/94/07/43/387940743.db2.gz HCCIRULTIBKBKA-MRVPVSSYSA-N 2 0 225.296 -0.270 20 0 BBADRP C[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645802713 387942007 /nfs/dbraw/zinc/94/20/07/387942007.db2.gz HCCIRULTIBKBKA-QMMMGPOBSA-N 2 0 225.296 -0.270 20 0 BBADRP C[NH+](C)CCn1cc(NC(=O)CC[NH3+])cn1 ZINC000645802868 387941720 /nfs/dbraw/zinc/94/17/20/387941720.db2.gz WPAYWMSYKYBREH-UHFFFAOYSA-N 2 0 225.296 -0.268 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645885291 387979943 /nfs/dbraw/zinc/97/99/43/387979943.db2.gz KMTZNFUPCVJOKY-JTQLQIEISA-N 2 0 243.351 -0.321 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645885292 387981025 /nfs/dbraw/zinc/98/10/25/387981025.db2.gz KMTZNFUPCVJOKY-SNVBAGLBSA-N 2 0 243.351 -0.321 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645951633 487862632 /nfs/dbraw/zinc/86/26/32/487862632.db2.gz NNAQCYXZHPMHHB-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645951634 388265286 /nfs/dbraw/zinc/26/52/86/388265286.db2.gz NNAQCYXZHPMHHB-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953087 388268688 /nfs/dbraw/zinc/26/86/88/388268688.db2.gz AHIXRSKKSGAGGL-MNOVXSKESA-N 2 0 241.335 -0.439 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953088 388268389 /nfs/dbraw/zinc/26/83/89/388268389.db2.gz AHIXRSKKSGAGGL-QWRGUYRKSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+]CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953159 398009504 /nfs/dbraw/zinc/00/95/04/398009504.db2.gz FPDXVJATGAUWGV-JTQLQIEISA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953160 398009744 /nfs/dbraw/zinc/00/97/44/398009744.db2.gz FPDXVJATGAUWGV-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC[NH2+]1 ZINC000645953244 388269487 /nfs/dbraw/zinc/26/94/87/388269487.db2.gz KZEUDJPIGJNJOZ-GHMZBOCLSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC[NH2+]1 ZINC000645953245 388269266 /nfs/dbraw/zinc/26/92/66/388269266.db2.gz KZEUDJPIGJNJOZ-WDEREUQCSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953470 388269075 /nfs/dbraw/zinc/26/90/75/388269075.db2.gz VBTSTMYNKYJSRS-LLVKDONJSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953471 388269723 /nfs/dbraw/zinc/26/97/23/388269723.db2.gz VBTSTMYNKYJSRS-NSHDSACASA-N 2 0 241.335 -0.438 20 0 BBADRP C[N@H+](C[C@H](O)CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000645958885 388088403 /nfs/dbraw/zinc/08/84/03/388088403.db2.gz GVNQMXRZXUDZSW-JTQLQIEISA-N 2 0 241.335 -0.751 20 0 BBADRP C[N@H+](C[C@@H](O)CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000645958886 388089272 /nfs/dbraw/zinc/08/92/72/388089272.db2.gz GVNQMXRZXUDZSW-SNVBAGLBSA-N 2 0 241.335 -0.751 20 0 BBADRP CC1CC[NH+](C[C@H](O)CNC(=O)CC[NH3+])CC1 ZINC000645959181 388089263 /nfs/dbraw/zinc/08/92/63/388089263.db2.gz DHQYNBZNXGBXPQ-LLVKDONJSA-N 2 0 243.351 -0.456 20 0 BBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CC[NH3+])CC1 ZINC000645959182 388088425 /nfs/dbraw/zinc/08/84/25/388088425.db2.gz DHQYNBZNXGBXPQ-NSHDSACASA-N 2 0 243.351 -0.456 20 0 BBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)COCC[NH3+] ZINC000645964462 398016007 /nfs/dbraw/zinc/01/60/07/398016007.db2.gz WSBIVJZXNQLXSE-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)COCC[NH3+] ZINC000645964463 398015737 /nfs/dbraw/zinc/01/57/37/398015737.db2.gz WSBIVJZXNQLXSE-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)COCC[NH3+] ZINC000645977123 388113294 /nfs/dbraw/zinc/11/32/94/388113294.db2.gz YYGFUIANTDIGNF-UHFFFAOYSA-N 2 0 231.340 -0.190 20 0 BBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)COCC[NH3+] ZINC000646012479 388124046 /nfs/dbraw/zinc/12/40/46/388124046.db2.gz PUIKKOGBYNDLCC-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)COCC[NH3+] ZINC000646012480 388124012 /nfs/dbraw/zinc/12/40/12/388124012.db2.gz PUIKKOGBYNDLCC-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP CC(C)(C)[NH2+]CCNC(=O)COCC[NH3+] ZINC000646050057 388133383 /nfs/dbraw/zinc/13/33/83/388133383.db2.gz BCWARWRKTZKNIA-UHFFFAOYSA-N 2 0 217.313 -0.534 20 0 BBADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000646050611 388133371 /nfs/dbraw/zinc/13/33/71/388133371.db2.gz ICVYRVXLLVRKQG-SECBINFHSA-N 2 0 229.324 -0.521 20 0 BBADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000646050612 388133426 /nfs/dbraw/zinc/13/34/26/388133426.db2.gz ICVYRVXLLVRKQG-VIFPVBQESA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@@H]1C[C@H](N(C)C(=O)COCC[NH3+])CC[N@@H+]1C ZINC000646068938 388136181 /nfs/dbraw/zinc/13/61/81/388136181.db2.gz CBOOJEISVAIXES-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@@H]1C[C@@H](N(C)C(=O)COCC[NH3+])CC[N@@H+]1C ZINC000646068939 388136322 /nfs/dbraw/zinc/13/63/22/388136322.db2.gz CBOOJEISVAIXES-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@H]1C[C@@H](N(C)C(=O)COCC[NH3+])CC[N@@H+]1C ZINC000646068940 388136339 /nfs/dbraw/zinc/13/63/39/388136339.db2.gz CBOOJEISVAIXES-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@H]1C[C@H](N(C)C(=O)COCC[NH3+])CC[N@@H+]1C ZINC000646068941 388136226 /nfs/dbraw/zinc/13/62/26/388136226.db2.gz CBOOJEISVAIXES-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COCC[NH3+] ZINC000646070682 388136943 /nfs/dbraw/zinc/13/69/43/388136943.db2.gz HUIBULVSTADUEA-GHMZBOCLSA-N 2 0 243.351 -0.240 20 0 BBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COCC[NH3+] ZINC000646070683 388136755 /nfs/dbraw/zinc/13/67/55/388136755.db2.gz HUIBULVSTADUEA-MNOVXSKESA-N 2 0 243.351 -0.240 20 0 BBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COCC[NH3+] ZINC000646070684 388136794 /nfs/dbraw/zinc/13/67/94/388136794.db2.gz HUIBULVSTADUEA-QWRGUYRKSA-N 2 0 243.351 -0.240 20 0 BBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COCC[NH3+] ZINC000646070685 388136952 /nfs/dbraw/zinc/13/69/52/388136952.db2.gz HUIBULVSTADUEA-WDEREUQCSA-N 2 0 243.351 -0.240 20 0 BBADRP C[NH+]1CCC2(CC1)C[N@H+](CCO)CCO2 ZINC000646104306 388143328 /nfs/dbraw/zinc/14/33/28/388143328.db2.gz JKOVLSXYPJNOBI-UHFFFAOYSA-N 2 0 214.309 -0.225 20 0 BBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000646125604 388148115 /nfs/dbraw/zinc/14/81/15/388148115.db2.gz QFBYPYBRUGWCHN-LLVKDONJSA-N 2 0 243.351 -0.238 20 0 BBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000646125605 388148489 /nfs/dbraw/zinc/14/84/89/388148489.db2.gz QFBYPYBRUGWCHN-NSHDSACASA-N 2 0 243.351 -0.238 20 0 BBADRP COC1CC[NH+](CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000646180758 388160201 /nfs/dbraw/zinc/16/02/01/388160201.db2.gz ADNSVSQSCLZACA-LLVKDONJSA-N 2 0 241.335 -0.425 20 0 BBADRP COC1CC[NH+](CCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000646180904 388160293 /nfs/dbraw/zinc/16/02/93/388160293.db2.gz JKKJCHXQJHUQKL-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP COC1CC[NH+](CCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000646180905 388160283 /nfs/dbraw/zinc/16/02/83/388160283.db2.gz JKKJCHXQJHUQKL-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP COC1CC[NH+](CCNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000646180938 388160239 /nfs/dbraw/zinc/16/02/39/388160239.db2.gz LMWMVCLPDLJXQH-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000646180945 388160231 /nfs/dbraw/zinc/16/02/31/388160231.db2.gz LRFOFOMNYRKCJF-LLVKDONJSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000646180946 388160107 /nfs/dbraw/zinc/16/01/07/388160107.db2.gz LRFOFOMNYRKCJF-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP COC1CC[NH+](CCNC(=O)CCC[NH3+])CC1 ZINC000646180947 388160269 /nfs/dbraw/zinc/16/02/69/388160269.db2.gz LSTQJYJUTGDSMK-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[NH2+]CC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000646181073 388160275 /nfs/dbraw/zinc/16/02/75/388160275.db2.gz TWDHDLDIKBBOCN-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP COC1CC[NH+](CCNC(=O)[C@@H](C)[NH3+])CC1 ZINC000646181105 388160255 /nfs/dbraw/zinc/16/02/55/388160255.db2.gz WOCKZNUNKPNTJF-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP COC1CC[NH+](CCNC(=O)[C@H](C)[NH3+])CC1 ZINC000646181106 388160078 /nfs/dbraw/zinc/16/00/78/388160078.db2.gz WOCKZNUNKPNTJF-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]CCC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000646181115 388160317 /nfs/dbraw/zinc/16/03/17/388160317.db2.gz XNWVWNBMHUCXPA-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP COC1CC[NH+](CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000646181126 388160217 /nfs/dbraw/zinc/16/02/17/388160217.db2.gz YCRPJXWCQQBIRQ-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCC[NH3+] ZINC000646197268 388162375 /nfs/dbraw/zinc/16/23/75/388162375.db2.gz QASZHSCVDBMQGC-HTQZYQBOSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC[NH3+] ZINC000646197269 388162388 /nfs/dbraw/zinc/16/23/88/388162388.db2.gz QASZHSCVDBMQGC-JGVFFNPUSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCC[NH3+] ZINC000646197270 388162582 /nfs/dbraw/zinc/16/25/82/388162582.db2.gz QASZHSCVDBMQGC-SFYZADRCSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC[NH3+] ZINC000646197271 388162575 /nfs/dbraw/zinc/16/25/75/388162575.db2.gz QASZHSCVDBMQGC-YUMQZZPRSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1C[NH2+]C1 ZINC000646202830 388163208 /nfs/dbraw/zinc/16/32/08/388163208.db2.gz HETYMCCFNULLQP-HTQZYQBOSA-N 2 0 214.313 -0.369 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1C[NH2+]C1 ZINC000646202831 388163235 /nfs/dbraw/zinc/16/32/35/388163235.db2.gz HETYMCCFNULLQP-JGVFFNPUSA-N 2 0 214.313 -0.369 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1C[NH2+]C1 ZINC000646202832 388163506 /nfs/dbraw/zinc/16/35/06/388163506.db2.gz HETYMCCFNULLQP-SFYZADRCSA-N 2 0 214.313 -0.369 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1C[NH2+]C1 ZINC000646202833 388163355 /nfs/dbraw/zinc/16/33/55/388163355.db2.gz HETYMCCFNULLQP-YUMQZZPRSA-N 2 0 214.313 -0.369 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000646203650 388163430 /nfs/dbraw/zinc/16/34/30/388163430.db2.gz SFBPAJPZAPNDGG-BIIVOSGPSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000646203651 388163681 /nfs/dbraw/zinc/16/36/81/388163681.db2.gz SFBPAJPZAPNDGG-BWZBUEFSSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000646203652 388163220 /nfs/dbraw/zinc/16/32/20/388163220.db2.gz SFBPAJPZAPNDGG-GJMOJQLCSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000646203653 388163566 /nfs/dbraw/zinc/16/35/66/388163566.db2.gz SFBPAJPZAPNDGG-XLPZGREQSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](C)[NH3+] ZINC000646205367 388163926 /nfs/dbraw/zinc/16/39/26/388163926.db2.gz GEUWEUAPHOXYGM-BIIVOSGPSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000646205368 388163919 /nfs/dbraw/zinc/16/39/19/388163919.db2.gz GEUWEUAPHOXYGM-CSMHCCOUSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000646205369 388163934 /nfs/dbraw/zinc/16/39/34/388163934.db2.gz GEUWEUAPHOXYGM-FXQIFTODSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000646205370 388163907 /nfs/dbraw/zinc/16/39/07/388163907.db2.gz GEUWEUAPHOXYGM-GJMOJQLCSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC/C=C/C[NH3+] ZINC000646206399 388164159 /nfs/dbraw/zinc/16/41/59/388164159.db2.gz WJRPLIBDQVWFKK-DXMIZCBPSA-N 2 0 214.313 -0.074 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC/C=C/C[NH3+] ZINC000646206400 388164234 /nfs/dbraw/zinc/16/42/34/388164234.db2.gz WJRPLIBDQVWFKK-FBFNWGNUSA-N 2 0 214.313 -0.074 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC/C=C\C[NH3+] ZINC000646206401 388163898 /nfs/dbraw/zinc/16/38/98/388163898.db2.gz WJRPLIBDQVWFKK-HIYAPSCVSA-N 2 0 214.313 -0.074 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC/C=C\C[NH3+] ZINC000646206402 388163987 /nfs/dbraw/zinc/16/39/87/388163987.db2.gz WJRPLIBDQVWFKK-HNRDENNGSA-N 2 0 214.313 -0.074 20 0 BBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COCC[NH3+] ZINC000646222378 388168231 /nfs/dbraw/zinc/16/82/31/388168231.db2.gz DRNQNODDCVBFRX-GXSJLCMTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COCC[NH3+] ZINC000646222379 388168031 /nfs/dbraw/zinc/16/80/31/388168031.db2.gz DRNQNODDCVBFRX-KOLCDFICSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COCC[NH3+] ZINC000646222380 388168187 /nfs/dbraw/zinc/16/81/87/388168187.db2.gz DRNQNODDCVBFRX-MWLCHTKSSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COCC[NH3+] ZINC000646222382 388168301 /nfs/dbraw/zinc/16/83/01/388168301.db2.gz DRNQNODDCVBFRX-ONGXEEELSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH3+])[C@@H]2C1 ZINC000646297358 388178193 /nfs/dbraw/zinc/17/81/93/388178193.db2.gz CTPWEAPTTPXIFX-GHMZBOCLSA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH3+])[C@H]2C1 ZINC000646297359 388178290 /nfs/dbraw/zinc/17/82/90/388178290.db2.gz CTPWEAPTTPXIFX-MNOVXSKESA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)COCC[NH3+])[C@H]2C1 ZINC000646297360 388178300 /nfs/dbraw/zinc/17/83/00/388178300.db2.gz CTPWEAPTTPXIFX-QWRGUYRKSA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)COCC[NH3+])[C@@H]2C1 ZINC000646297361 388178447 /nfs/dbraw/zinc/17/84/47/388178447.db2.gz CTPWEAPTTPXIFX-WDEREUQCSA-N 2 0 241.335 -0.486 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000646297688 388178134 /nfs/dbraw/zinc/17/81/34/388178134.db2.gz ZBUHYLRJVCBEHP-GARJFASQSA-N 2 0 241.335 -0.487 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000646297689 388178329 /nfs/dbraw/zinc/17/83/29/388178329.db2.gz ZBUHYLRJVCBEHP-GMTAPVOTSA-N 2 0 241.335 -0.487 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000646297690 388178277 /nfs/dbraw/zinc/17/82/77/388178277.db2.gz ZBUHYLRJVCBEHP-HBNTYKKESA-N 2 0 241.335 -0.487 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000646297691 388177985 /nfs/dbraw/zinc/17/79/85/388177985.db2.gz ZBUHYLRJVCBEHP-OUAUKWLOSA-N 2 0 241.335 -0.487 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000646297868 388178205 /nfs/dbraw/zinc/17/82/05/388178205.db2.gz UASZCQCVJGZCNY-GMTAPVOTSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000646297869 388178025 /nfs/dbraw/zinc/17/80/25/388178025.db2.gz UASZCQCVJGZCNY-MXWKQRLJSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000646297870 388178371 /nfs/dbraw/zinc/17/83/71/388178371.db2.gz UASZCQCVJGZCNY-OUAUKWLOSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000646297871 388178144 /nfs/dbraw/zinc/17/81/44/388178144.db2.gz UASZCQCVJGZCNY-VWYCJHECSA-N 2 0 241.335 -0.426 20 0 BBADRP COC[C@@]1(C(=O)NCC2([NH3+])CCC2)CC[NH2+]C1 ZINC000646306653 388194651 /nfs/dbraw/zinc/19/46/51/388194651.db2.gz DDTPFNZQVCRIJV-LLVKDONJSA-N 2 0 241.335 -0.390 20 0 BBADRP COC[C@]1(C(=O)NCC2([NH3+])CCC2)CC[NH2+]C1 ZINC000646306654 388195038 /nfs/dbraw/zinc/19/50/38/388195038.db2.gz DDTPFNZQVCRIJV-NSHDSACASA-N 2 0 241.335 -0.390 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646318317 388217279 /nfs/dbraw/zinc/21/72/79/388217279.db2.gz XFCLBZDFMONSMF-CMPLNLGQSA-N 2 0 239.319 -0.813 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646318318 388217557 /nfs/dbraw/zinc/21/75/57/388217557.db2.gz XFCLBZDFMONSMF-JQWIXIFHSA-N 2 0 239.319 -0.813 20 0 BBADRP C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[NH2+]1 ZINC000646322595 388223849 /nfs/dbraw/zinc/22/38/49/388223849.db2.gz WRFGIQZUGHNTDA-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP CC(C)[C@H]1CN(C(=O)COCC[NH3+])CC[NH2+]1 ZINC000646327520 388228107 /nfs/dbraw/zinc/22/81/07/388228107.db2.gz DEXIRYVOEVKWMC-SNVBAGLBSA-N 2 0 229.324 -0.582 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000646331834 388239166 /nfs/dbraw/zinc/23/91/66/388239166.db2.gz VTNZVVTVFYXKEM-AOOOYVTPSA-N 2 0 227.308 -0.685 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646335861 388261843 /nfs/dbraw/zinc/26/18/43/388261843.db2.gz ADJFSCDKSROBKU-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646335862 388261672 /nfs/dbraw/zinc/26/16/72/388261672.db2.gz ADJFSCDKSROBKU-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646335863 388261697 /nfs/dbraw/zinc/26/16/97/388261697.db2.gz ADJFSCDKSROBKU-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646335864 388261633 /nfs/dbraw/zinc/26/16/33/388261633.db2.gz ADJFSCDKSROBKU-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646335974 388261771 /nfs/dbraw/zinc/26/17/71/388261771.db2.gz DSZGDJQYCXYEHQ-NXEZZACHSA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646335975 388261820 /nfs/dbraw/zinc/26/18/20/388261820.db2.gz DSZGDJQYCXYEHQ-UWVGGRQHSA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646335976 388261956 /nfs/dbraw/zinc/26/19/56/388261956.db2.gz DSZGDJQYCXYEHQ-VHSXEESVSA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646335977 388261669 /nfs/dbraw/zinc/26/16/69/388261669.db2.gz DSZGDJQYCXYEHQ-ZJUUUORDSA-N 2 0 227.308 -0.828 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336033 388261689 /nfs/dbraw/zinc/26/16/89/388261689.db2.gz FRYQFWGNSASLCO-DCAQKATOSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336034 388261645 /nfs/dbraw/zinc/26/16/45/388261645.db2.gz FRYQFWGNSASLCO-GARJFASQSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336035 388261932 /nfs/dbraw/zinc/26/19/32/388261932.db2.gz FRYQFWGNSASLCO-OUAUKWLOSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336036 388261922 /nfs/dbraw/zinc/26/19/22/388261922.db2.gz FRYQFWGNSASLCO-VWYCJHECSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336611 388263176 /nfs/dbraw/zinc/26/31/76/388263176.db2.gz ZIZHWVOLJIBUIF-LMLFDSFASA-N 2 0 241.310 -0.103 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336612 388262997 /nfs/dbraw/zinc/26/29/97/388262997.db2.gz ZIZHWVOLJIBUIF-MMWGEVLESA-N 2 0 241.310 -0.103 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336613 388262893 /nfs/dbraw/zinc/26/28/93/388262893.db2.gz ZIZHWVOLJIBUIF-UKKRHICBSA-N 2 0 241.310 -0.103 20 0 BBADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336614 388263005 /nfs/dbraw/zinc/26/30/05/388263005.db2.gz ZIZHWVOLJIBUIF-YTWAJWBKSA-N 2 0 241.310 -0.103 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336623 388262961 /nfs/dbraw/zinc/26/29/61/388262961.db2.gz ZTJVCHAHFDPLCM-GUBZILKMSA-N 2 0 227.308 -0.830 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336624 388263248 /nfs/dbraw/zinc/26/32/48/388263248.db2.gz ZTJVCHAHFDPLCM-KXUCPTDWSA-N 2 0 227.308 -0.830 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336625 388262931 /nfs/dbraw/zinc/26/29/31/388262931.db2.gz ZTJVCHAHFDPLCM-LPEHRKFASA-N 2 0 227.308 -0.830 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336626 388263334 /nfs/dbraw/zinc/26/33/34/388263334.db2.gz ZTJVCHAHFDPLCM-UTLUCORTSA-N 2 0 227.308 -0.830 20 0 BBADRP CC1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C[NH2+]C1 ZINC000646338431 388271680 /nfs/dbraw/zinc/27/16/80/388271680.db2.gz MFTLFXSOLUUWIN-NXEZZACHSA-N 2 0 223.320 -0.194 20 0 BBADRP CC1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[NH2+]C1 ZINC000646338432 388271769 /nfs/dbraw/zinc/27/17/69/388271769.db2.gz MFTLFXSOLUUWIN-UWVGGRQHSA-N 2 0 223.320 -0.194 20 0 BBADRP CC1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[NH2+]C1 ZINC000646338433 388272262 /nfs/dbraw/zinc/27/22/62/388272262.db2.gz MFTLFXSOLUUWIN-VHSXEESVSA-N 2 0 223.320 -0.194 20 0 BBADRP CC1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C[NH2+]C1 ZINC000646338434 388271861 /nfs/dbraw/zinc/27/18/61/388271861.db2.gz MFTLFXSOLUUWIN-ZJUUUORDSA-N 2 0 223.320 -0.194 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646343367 388299425 /nfs/dbraw/zinc/29/94/25/388299425.db2.gz NZYKQQRCSCBQHZ-GXSJLCMTSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646343368 388299165 /nfs/dbraw/zinc/29/91/65/388299165.db2.gz NZYKQQRCSCBQHZ-KOLCDFICSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646343369 388299433 /nfs/dbraw/zinc/29/94/33/388299433.db2.gz NZYKQQRCSCBQHZ-MWLCHTKSSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646343370 388299051 /nfs/dbraw/zinc/29/90/51/388299051.db2.gz NZYKQQRCSCBQHZ-ONGXEEELSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000646363583 388346210 /nfs/dbraw/zinc/34/62/10/388346210.db2.gz IDGKVHGZWVTPDN-GFCCVEGCSA-N 2 0 241.335 -0.436 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000646363584 388345870 /nfs/dbraw/zinc/34/58/70/388345870.db2.gz IDGKVHGZWVTPDN-LBPRGKRZSA-N 2 0 241.335 -0.436 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363824 388345752 /nfs/dbraw/zinc/34/57/52/388345752.db2.gz WGWSOOOJMHNJRF-GHMZBOCLSA-N 2 0 240.351 -0.770 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363825 388345859 /nfs/dbraw/zinc/34/58/59/388345859.db2.gz WGWSOOOJMHNJRF-MNOVXSKESA-N 2 0 240.351 -0.770 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000646367986 388346724 /nfs/dbraw/zinc/34/67/24/388346724.db2.gz JUDUVXOUMLKYEE-AXFHLTTASA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000646367987 388346748 /nfs/dbraw/zinc/34/67/48/388346748.db2.gz JUDUVXOUMLKYEE-GMTAPVOTSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000646367988 388346628 /nfs/dbraw/zinc/34/66/28/388346628.db2.gz JUDUVXOUMLKYEE-HBNTYKKESA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000646367989 388346704 /nfs/dbraw/zinc/34/67/04/388346704.db2.gz JUDUVXOUMLKYEE-MXWKQRLJSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000646369501 388346605 /nfs/dbraw/zinc/34/66/05/388346605.db2.gz MRJUGSKGFKVOSX-AXFHLTTASA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000646369502 388346754 /nfs/dbraw/zinc/34/67/54/388346754.db2.gz MRJUGSKGFKVOSX-DCAQKATOSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000646369503 388346636 /nfs/dbraw/zinc/34/66/36/388346636.db2.gz MRJUGSKGFKVOSX-MXWKQRLJSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000646369504 388347156 /nfs/dbraw/zinc/34/71/56/388347156.db2.gz MRJUGSKGFKVOSX-VWYCJHECSA-N 2 0 239.319 -0.815 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCn1ccnc1 ZINC000646394839 388350385 /nfs/dbraw/zinc/35/03/85/388350385.db2.gz SVBBFJPYQOSFEO-SECBINFHSA-N 2 0 222.292 -0.003 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NCCn1ccnc1 ZINC000646394840 388349953 /nfs/dbraw/zinc/34/99/53/388349953.db2.gz SVBBFJPYQOSFEO-VIFPVBQESA-N 2 0 222.292 -0.003 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)COCC[NH3+])C1CC1 ZINC000646424302 388355662 /nfs/dbraw/zinc/35/56/62/388355662.db2.gz RVCIJBKWSAAKQR-JTQLQIEISA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH+](C)[C@H](CNC(=O)COCC[NH3+])C1CC1 ZINC000646424303 388356560 /nfs/dbraw/zinc/35/65/60/388356560.db2.gz RVCIJBKWSAAKQR-SNVBAGLBSA-N 2 0 229.324 -0.582 20 0 BBADRP CN(C(=O)COCC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000646430686 388358071 /nfs/dbraw/zinc/35/80/71/388358071.db2.gz BHXSZPKEYYOUIX-LLVKDONJSA-N 2 0 241.335 -0.343 20 0 BBADRP CN(C(=O)COCC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000646430687 388358181 /nfs/dbraw/zinc/35/81/81/388358181.db2.gz BHXSZPKEYYOUIX-NSHDSACASA-N 2 0 241.335 -0.343 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[NH+]2CCC1CC2 ZINC000646450132 388360245 /nfs/dbraw/zinc/36/02/45/388360245.db2.gz JQKUMLLHMATREL-UHFFFAOYSA-N 2 0 227.308 -0.732 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+]2CCC1CC2 ZINC000646450416 388360897 /nfs/dbraw/zinc/36/08/97/388360897.db2.gz QSHNXPSKXLIDTF-NSHDSACASA-N 2 0 239.319 -0.719 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000646467203 388361750 /nfs/dbraw/zinc/36/17/50/388361750.db2.gz PWJKTIPXKKROAH-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000646467204 388361728 /nfs/dbraw/zinc/36/17/28/388361728.db2.gz PWJKTIPXKKROAH-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000646467205 388362166 /nfs/dbraw/zinc/36/21/66/388362166.db2.gz PWJKTIPXKKROAH-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000646467206 388362035 /nfs/dbraw/zinc/36/20/35/388362035.db2.gz PWJKTIPXKKROAH-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000646467375 388362735 /nfs/dbraw/zinc/36/27/35/388362735.db2.gz BRPZISCGKKTUCE-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000646467376 388362890 /nfs/dbraw/zinc/36/28/90/388362890.db2.gz BRPZISCGKKTUCE-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646498106 388369092 /nfs/dbraw/zinc/36/90/92/388369092.db2.gz IIZNTPXFLZFNQW-JTQLQIEISA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646498107 388368751 /nfs/dbraw/zinc/36/87/51/388368751.db2.gz IIZNTPXFLZFNQW-SNVBAGLBSA-N 2 0 243.351 -0.321 20 0 BBADRP CC(C)([NH3+])CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000646503536 388370356 /nfs/dbraw/zinc/37/03/56/388370356.db2.gz IRCFQGPLJZKGDH-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CC(C)(C[NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000646503964 388370389 /nfs/dbraw/zinc/37/03/89/388370389.db2.gz TWDJYYNULMCHGG-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000646504181 388370009 /nfs/dbraw/zinc/37/00/09/388370009.db2.gz XQZXRRCDTCIACG-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CC[N@H+](C)C1CC1)C(=O)COCC[NH3+] ZINC000646523191 388375358 /nfs/dbraw/zinc/37/53/58/388375358.db2.gz KDZVCBCNDJJISJ-UHFFFAOYSA-N 2 0 229.324 -0.486 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)COCC[NH3+])C[N@@H+]1C1CC1 ZINC000646530084 388377383 /nfs/dbraw/zinc/37/73/83/388377383.db2.gz VQDCZGBOMNVIOA-NXEZZACHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1C[C@H](NC(=O)COCC[NH3+])C[N@@H+]1C1CC1 ZINC000646530085 388377147 /nfs/dbraw/zinc/37/71/47/388377147.db2.gz VQDCZGBOMNVIOA-UWVGGRQHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)COCC[NH3+])C[N@@H+]1C1CC1 ZINC000646530086 388377399 /nfs/dbraw/zinc/37/73/99/388377399.db2.gz VQDCZGBOMNVIOA-VHSXEESVSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)COCC[NH3+])C[N@@H+]1C1CC1 ZINC000646530087 388377595 /nfs/dbraw/zinc/37/75/95/388377595.db2.gz VQDCZGBOMNVIOA-ZJUUUORDSA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000646533942 388377438 /nfs/dbraw/zinc/37/74/38/388377438.db2.gz WPYYRHWDLIRFTC-GHMZBOCLSA-N 2 0 241.335 -0.615 20 0 BBADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000646533943 388377562 /nfs/dbraw/zinc/37/75/62/388377562.db2.gz WPYYRHWDLIRFTC-MNOVXSKESA-N 2 0 241.335 -0.615 20 0 BBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000646533944 388377613 /nfs/dbraw/zinc/37/76/13/388377613.db2.gz WPYYRHWDLIRFTC-QWRGUYRKSA-N 2 0 241.335 -0.615 20 0 BBADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000646533945 388377642 /nfs/dbraw/zinc/37/76/42/388377642.db2.gz WPYYRHWDLIRFTC-WDEREUQCSA-N 2 0 241.335 -0.615 20 0 BBADRP C[NH+](C)CCN(C(=O)COCC[NH3+])C1CC1 ZINC000646542792 388379380 /nfs/dbraw/zinc/37/93/80/388379380.db2.gz WGSOIFXDVFCWEB-UHFFFAOYSA-N 2 0 229.324 -0.486 20 0 BBADRP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000646542793 388379569 /nfs/dbraw/zinc/37/95/69/388379569.db2.gz WIRYLWJEJHMZJZ-LLVKDONJSA-N 2 0 241.335 -0.473 20 0 BBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000646542794 388379504 /nfs/dbraw/zinc/37/95/04/388379504.db2.gz WIRYLWJEJHMZJZ-NSHDSACASA-N 2 0 241.335 -0.473 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000646570243 388386040 /nfs/dbraw/zinc/38/60/40/388386040.db2.gz ZELGDFYLSOACCW-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000646570244 388385843 /nfs/dbraw/zinc/38/58/43/388385843.db2.gz ZELGDFYLSOACCW-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NCCCN1CC[NH2+]CC1 ZINC000646575159 388387269 /nfs/dbraw/zinc/38/72/69/388387269.db2.gz HZYYOADUQRLEEL-SNVBAGLBSA-N 2 0 228.340 -0.865 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000646578018 388387182 /nfs/dbraw/zinc/38/71/82/388387182.db2.gz CCPRPGNUAAHFLR-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000646578019 388387354 /nfs/dbraw/zinc/38/73/54/388387354.db2.gz CCPRPGNUAAHFLR-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP [NH3+]CCOCC(=O)NCC1([NH3+])CCCCC1 ZINC000646584525 388390529 /nfs/dbraw/zinc/39/05/29/388390529.db2.gz LQHJGQSDVADUCG-UHFFFAOYSA-N 2 0 229.324 -0.261 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000646594407 388392442 /nfs/dbraw/zinc/39/24/42/388392442.db2.gz GGBQHHFILAOIHQ-NXEZZACHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000646594408 388392723 /nfs/dbraw/zinc/39/27/23/388392723.db2.gz GGBQHHFILAOIHQ-UWVGGRQHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000646594409 388392938 /nfs/dbraw/zinc/39/29/38/388392938.db2.gz GGBQHHFILAOIHQ-VHSXEESVSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000646594410 388392733 /nfs/dbraw/zinc/39/27/33/388392733.db2.gz GGBQHHFILAOIHQ-ZJUUUORDSA-N 2 0 227.308 -0.815 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC000646615338 388396105 /nfs/dbraw/zinc/39/61/05/388396105.db2.gz GMEJQCAAHMRTLS-JTQLQIEISA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC000646615339 388395960 /nfs/dbraw/zinc/39/59/60/388395960.db2.gz GMEJQCAAHMRTLS-SNVBAGLBSA-N 2 0 227.308 -0.909 20 0 BBADRP C[NH2+]CC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000646615621 388396058 /nfs/dbraw/zinc/39/60/58/388396058.db2.gz VVURDKBSJZVSSA-UHFFFAOYSA-N 2 0 236.319 -0.103 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000646631611 388398538 /nfs/dbraw/zinc/39/85/38/388398538.db2.gz PBVBYSBUQKNWSR-JTQLQIEISA-N 2 0 240.351 -0.994 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000646631612 388398188 /nfs/dbraw/zinc/39/81/88/388398188.db2.gz PBVBYSBUQKNWSR-SNVBAGLBSA-N 2 0 240.351 -0.994 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646635227 388399245 /nfs/dbraw/zinc/39/92/45/388399245.db2.gz CETLGFUTZCSJAW-BDAKNGLRSA-N 2 0 249.318 -0.422 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646635228 388399173 /nfs/dbraw/zinc/39/91/73/388399173.db2.gz CETLGFUTZCSJAW-IUCAKERBSA-N 2 0 249.318 -0.422 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000646635520 388398427 /nfs/dbraw/zinc/39/84/27/388398427.db2.gz QBUFIRVZZTXVFR-UWVGGRQHSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000646635521 388398236 /nfs/dbraw/zinc/39/82/36/388398236.db2.gz QBUFIRVZZTXVFR-VHSXEESVSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000646644208 388400534 /nfs/dbraw/zinc/40/05/34/388400534.db2.gz WBFJXNJDYGHCDN-UWVGGRQHSA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000646644209 388400669 /nfs/dbraw/zinc/40/06/69/388400669.db2.gz WBFJXNJDYGHCDN-ZJUUUORDSA-N 2 0 227.308 -0.909 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646649420 388401985 /nfs/dbraw/zinc/40/19/85/388401985.db2.gz DSFOIOLCJLLEKW-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646649421 388401785 /nfs/dbraw/zinc/40/17/85/388401785.db2.gz DSFOIOLCJLLEKW-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646649422 388402112 /nfs/dbraw/zinc/40/21/12/388402112.db2.gz DSFOIOLCJLLEKW-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646649423 388401821 /nfs/dbraw/zinc/40/18/21/388401821.db2.gz DSFOIOLCJLLEKW-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCCC[NH2+]1 ZINC000646649636 388401962 /nfs/dbraw/zinc/40/19/62/388401962.db2.gz OQOSUJWTGLVSRW-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCCC[NH2+]1 ZINC000646649637 388401818 /nfs/dbraw/zinc/40/18/18/388401818.db2.gz OQOSUJWTGLVSRW-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649638 388401926 /nfs/dbraw/zinc/40/19/26/388401926.db2.gz OQOSUJWTGLVSRW-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649639 388402240 /nfs/dbraw/zinc/40/22/40/388402240.db2.gz OQOSUJWTGLVSRW-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000646663985 388407154 /nfs/dbraw/zinc/40/71/54/388407154.db2.gz BJBICEFFIRTUOS-AXFHLTTASA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000646663986 388407073 /nfs/dbraw/zinc/40/70/73/388407073.db2.gz BJBICEFFIRTUOS-DCAQKATOSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H](NC(=O)COCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000646664096 388407065 /nfs/dbraw/zinc/40/70/65/388407065.db2.gz RTUPLCWEDYNLLE-NXEZZACHSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@H](NC(=O)COCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000646664097 388406727 /nfs/dbraw/zinc/40/67/27/388406727.db2.gz RTUPLCWEDYNLLE-UWVGGRQHSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@H](NC(=O)COCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000646664098 388407080 /nfs/dbraw/zinc/40/70/80/388407080.db2.gz RTUPLCWEDYNLLE-VHSXEESVSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@@H](NC(=O)COCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000646664099 388407231 /nfs/dbraw/zinc/40/72/31/388407231.db2.gz RTUPLCWEDYNLLE-ZJUUUORDSA-N 2 0 229.324 -0.534 20 0 BBADRP [NH3+]C1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000646664680 388406653 /nfs/dbraw/zinc/40/66/53/388406653.db2.gz KZMZIPWWICLTHE-UHFFFAOYSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000646669991 388410076 /nfs/dbraw/zinc/41/00/76/388410076.db2.gz NZUUJGIYRVVXFT-PSASIEDQSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000646669992 388410444 /nfs/dbraw/zinc/41/04/44/388410444.db2.gz NZUUJGIYRVVXFT-SCZZXKLOSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000646669993 388410570 /nfs/dbraw/zinc/41/05/70/388410570.db2.gz NZUUJGIYRVVXFT-WCBMZHEXSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000646669994 388410181 /nfs/dbraw/zinc/41/01/81/388410181.db2.gz NZUUJGIYRVVXFT-WPRPVWTQSA-N 2 0 211.309 -0.079 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646680283 388414600 /nfs/dbraw/zinc/41/46/00/388414600.db2.gz SWYGUSHBMDGXTJ-WDEREUQCSA-N 2 0 225.336 -0.042 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCC[NH2+]1 ZINC000646683362 398082861 /nfs/dbraw/zinc/08/28/61/398082861.db2.gz YMGROGNBUVQGCE-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[NH2+]1 ZINC000646683363 398083549 /nfs/dbraw/zinc/08/35/49/398083549.db2.gz YMGROGNBUVQGCE-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[NH2+]1 ZINC000646683364 398083574 /nfs/dbraw/zinc/08/35/74/398083574.db2.gz YMGROGNBUVQGCE-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[NH2+]1 ZINC000646683365 398083522 /nfs/dbraw/zinc/08/35/22/398083522.db2.gz YMGROGNBUVQGCE-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(COC1CC[NH2+]CC1)NCC[NH2+]C1CC1 ZINC000646686004 388415223 /nfs/dbraw/zinc/41/52/23/388415223.db2.gz MONPUDXJGJIOPE-UHFFFAOYSA-N 2 0 241.335 -0.377 20 0 BBADRP [NH3+][C@H](C(=O)NCC[NH2+]C1CC1)C1CCC1 ZINC000646686009 388415646 /nfs/dbraw/zinc/41/56/46/388415646.db2.gz NIMFLQCXOIBFFI-JTQLQIEISA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](C(=O)NCC[NH2+]C1CC1)C1CCC1 ZINC000646686010 388415441 /nfs/dbraw/zinc/41/54/41/388415441.db2.gz NIMFLQCXOIBFFI-SNVBAGLBSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC[NH2+]C1CC1 ZINC000646687300 388416280 /nfs/dbraw/zinc/41/62/80/388416280.db2.gz XNFYGDVKDYSPTQ-JTQLQIEISA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC[NH2+]C1CC1 ZINC000646687301 388416412 /nfs/dbraw/zinc/41/64/12/388416412.db2.gz XNFYGDVKDYSPTQ-SNVBAGLBSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000646688134 388417325 /nfs/dbraw/zinc/41/73/25/388417325.db2.gz CQLHPIWDBRFQOK-KOLCDFICSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000646688135 388417153 /nfs/dbraw/zinc/41/71/53/388417153.db2.gz CQLHPIWDBRFQOK-ONGXEEELSA-N 2 0 241.335 -0.439 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000646689327 388417619 /nfs/dbraw/zinc/41/76/19/388417619.db2.gz JJURKWFZMVPLIK-JTQLQIEISA-N 2 0 229.324 -0.521 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000646689328 388417623 /nfs/dbraw/zinc/41/76/23/388417623.db2.gz JJURKWFZMVPLIK-SNVBAGLBSA-N 2 0 229.324 -0.521 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000646689385 388417647 /nfs/dbraw/zinc/41/76/47/388417647.db2.gz VXUTWYGHYGPKES-LLVKDONJSA-N 2 0 243.351 -0.131 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000646689386 388417664 /nfs/dbraw/zinc/41/76/64/388417664.db2.gz VXUTWYGHYGPKES-NSHDSACASA-N 2 0 243.351 -0.131 20 0 BBADRP [NH3+]CCOCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000646697037 388419091 /nfs/dbraw/zinc/41/90/91/388419091.db2.gz LYDIKLUZHIEEIG-LLVKDONJSA-N 2 0 237.303 -0.222 20 0 BBADRP [NH3+]CCOCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000646697041 388419332 /nfs/dbraw/zinc/41/93/32/388419332.db2.gz LYDIKLUZHIEEIG-NSHDSACASA-N 2 0 237.303 -0.222 20 0 BBADRP CCCN(C(=O)COCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000646698955 388419432 /nfs/dbraw/zinc/41/94/32/388419432.db2.gz RWJLSBKFKZVULG-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CCCN(C(=O)COCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000646698956 388419120 /nfs/dbraw/zinc/41/91/20/388419120.db2.gz RWJLSBKFKZVULG-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000646699011 388420270 /nfs/dbraw/zinc/42/02/70/388420270.db2.gz MTLKQAAWHJUDOJ-UWVGGRQHSA-N 2 0 227.308 -0.909 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000646699012 388419747 /nfs/dbraw/zinc/41/97/47/388419747.db2.gz MTLKQAAWHJUDOJ-ZJUUUORDSA-N 2 0 227.308 -0.909 20 0 BBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000646718214 388430830 /nfs/dbraw/zinc/43/08/30/388430830.db2.gz IVQQINWMJJFCFX-NSHDSACASA-N 2 0 241.335 -0.567 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000646731051 388441402 /nfs/dbraw/zinc/44/14/02/388441402.db2.gz VXTNQKSKEVGVSU-GHMZBOCLSA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000646731052 388441016 /nfs/dbraw/zinc/44/10/16/388441016.db2.gz VXTNQKSKEVGVSU-MNOVXSKESA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000646731053 388441030 /nfs/dbraw/zinc/44/10/30/388441030.db2.gz VXTNQKSKEVGVSU-QWRGUYRKSA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000646731054 388441116 /nfs/dbraw/zinc/44/11/16/388441116.db2.gz VXTNQKSKEVGVSU-WDEREUQCSA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000646753530 388474621 /nfs/dbraw/zinc/47/46/21/388474621.db2.gz GATJYFVSKMCPJO-NXEZZACHSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000646753531 388474878 /nfs/dbraw/zinc/47/48/78/388474878.db2.gz GATJYFVSKMCPJO-UWVGGRQHSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000646753532 388474676 /nfs/dbraw/zinc/47/46/76/388474676.db2.gz GATJYFVSKMCPJO-VHSXEESVSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000646753533 388474762 /nfs/dbraw/zinc/47/47/62/388474762.db2.gz GATJYFVSKMCPJO-ZJUUUORDSA-N 2 0 231.340 -0.160 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000646769973 388493280 /nfs/dbraw/zinc/49/32/80/388493280.db2.gz OZDNWGUSJDDXCR-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000646769974 388493061 /nfs/dbraw/zinc/49/30/61/388493061.db2.gz OZDNWGUSJDDXCR-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000646770722 388493517 /nfs/dbraw/zinc/49/35/17/388493517.db2.gz AYMIOAMWYXTYBC-GUBZILKMSA-N 2 0 229.324 -0.454 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000646770723 388493072 /nfs/dbraw/zinc/49/30/72/388493072.db2.gz AYMIOAMWYXTYBC-KXUCPTDWSA-N 2 0 229.324 -0.454 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000646770724 388492985 /nfs/dbraw/zinc/49/29/85/388492985.db2.gz AYMIOAMWYXTYBC-LPEHRKFASA-N 2 0 229.324 -0.454 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000646770725 388493359 /nfs/dbraw/zinc/49/33/59/388493359.db2.gz AYMIOAMWYXTYBC-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP C[C@@H]1CCCN(C(=O)COCC[NH3+])[C@@H]1C[NH3+] ZINC000646770772 388493125 /nfs/dbraw/zinc/49/31/25/388493125.db2.gz DBOCMNCEWBORMS-NXEZZACHSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@H]1CCCN(C(=O)COCC[NH3+])[C@H]1C[NH3+] ZINC000646770773 388493653 /nfs/dbraw/zinc/49/36/53/388493653.db2.gz DBOCMNCEWBORMS-UWVGGRQHSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@H]1CCCN(C(=O)COCC[NH3+])[C@@H]1C[NH3+] ZINC000646770774 388493025 /nfs/dbraw/zinc/49/30/25/388493025.db2.gz DBOCMNCEWBORMS-VHSXEESVSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@@H]1CCCN(C(=O)COCC[NH3+])[C@H]1C[NH3+] ZINC000646770775 388493606 /nfs/dbraw/zinc/49/36/06/388493606.db2.gz DBOCMNCEWBORMS-ZJUUUORDSA-N 2 0 229.324 -0.453 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000646770993 388494761 /nfs/dbraw/zinc/49/47/61/388494761.db2.gz JVBUPNQYMWGWTQ-DCAQKATOSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000646770994 388494115 /nfs/dbraw/zinc/49/41/15/388494115.db2.gz JVBUPNQYMWGWTQ-GARJFASQSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000646770995 388494224 /nfs/dbraw/zinc/49/42/24/388494224.db2.gz JVBUPNQYMWGWTQ-OUAUKWLOSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000646770996 388494578 /nfs/dbraw/zinc/49/45/78/388494578.db2.gz JVBUPNQYMWGWTQ-VWYCJHECSA-N 2 0 243.351 -0.064 20 0 BBADRP COC[C@@]1(C(=O)NC[C@H]([NH3+])C(C)C)CC[NH2+]C1 ZINC000646774105 388495009 /nfs/dbraw/zinc/49/50/09/388495009.db2.gz GTAGXKRGUGZOHR-CMPLNLGQSA-N 2 0 243.351 -0.288 20 0 BBADRP COC[C@]1(C(=O)NC[C@H]([NH3+])C(C)C)CC[NH2+]C1 ZINC000646774106 388495166 /nfs/dbraw/zinc/49/51/66/388495166.db2.gz GTAGXKRGUGZOHR-JQWIXIFHSA-N 2 0 243.351 -0.288 20 0 BBADRP COC[C@]1(C(=O)NC[C@@H]([NH3+])C(C)C)CC[NH2+]C1 ZINC000646774107 388495289 /nfs/dbraw/zinc/49/52/89/388495289.db2.gz GTAGXKRGUGZOHR-PWSUYJOCSA-N 2 0 243.351 -0.288 20 0 BBADRP COC[C@@]1(C(=O)NC[C@@H]([NH3+])C(C)C)CC[NH2+]C1 ZINC000646774108 388495024 /nfs/dbraw/zinc/49/50/24/388495024.db2.gz GTAGXKRGUGZOHR-ZYHUDNBSSA-N 2 0 243.351 -0.288 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000646778910 388499958 /nfs/dbraw/zinc/49/99/58/388499958.db2.gz SAWDAIBVIFFAEB-NXEZZACHSA-N 2 0 229.324 -0.405 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000646778911 388499206 /nfs/dbraw/zinc/49/92/06/388499206.db2.gz SAWDAIBVIFFAEB-UWVGGRQHSA-N 2 0 229.324 -0.405 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000646778912 388499575 /nfs/dbraw/zinc/49/95/75/388499575.db2.gz SAWDAIBVIFFAEB-VHSXEESVSA-N 2 0 229.324 -0.405 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000646778913 388499924 /nfs/dbraw/zinc/49/99/24/388499924.db2.gz SAWDAIBVIFFAEB-ZJUUUORDSA-N 2 0 229.324 -0.405 20 0 BBADRP CN(CCC[NH3+])C(=O)COC1CC[NH2+]CC1 ZINC000646781374 388500659 /nfs/dbraw/zinc/50/06/59/388500659.db2.gz OFSBRBBRGVLODT-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP COCC1(C(=O)N(C)CCC[NH3+])CC[NH2+]CC1 ZINC000646783916 388501798 /nfs/dbraw/zinc/50/17/98/388501798.db2.gz OYSNIYOHHLKBDR-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646797118 388507950 /nfs/dbraw/zinc/50/79/50/388507950.db2.gz ICZPHLMEDJIWBL-UTLUCORTSA-N 2 0 227.308 -0.687 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646797294 388508033 /nfs/dbraw/zinc/50/80/33/388508033.db2.gz ZUNJPJUXJQNGLN-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP CC[NH2+]CC1CCN(C(=O)COCC[NH3+])CC1 ZINC000646806844 388539256 /nfs/dbraw/zinc/53/92/56/388539256.db2.gz LWZFEEXFMMJUBO-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000646817227 388555298 /nfs/dbraw/zinc/55/52/98/388555298.db2.gz CBJCAAKKFUXVCO-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000646817228 388555809 /nfs/dbraw/zinc/55/58/09/388555809.db2.gz CBJCAAKKFUXVCO-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)COCC[NH3+] ZINC000646823371 388558775 /nfs/dbraw/zinc/55/87/75/388558775.db2.gz XTIVYROEQZYPAT-JTQLQIEISA-N 2 0 231.340 -0.207 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)COCC[NH3+] ZINC000646823372 388558870 /nfs/dbraw/zinc/55/88/70/388558870.db2.gz XTIVYROEQZYPAT-SNVBAGLBSA-N 2 0 231.340 -0.207 20 0 BBADRP CN1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000646833144 388563329 /nfs/dbraw/zinc/56/33/29/388563329.db2.gz BNJSWWXOXSFBBU-GHMZBOCLSA-N 2 0 240.351 -0.913 20 0 BBADRP CN1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000646833145 388562845 /nfs/dbraw/zinc/56/28/45/388562845.db2.gz BNJSWWXOXSFBBU-MNOVXSKESA-N 2 0 240.351 -0.913 20 0 BBADRP CN1CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000646833146 388563430 /nfs/dbraw/zinc/56/34/30/388563430.db2.gz BNJSWWXOXSFBBU-QWRGUYRKSA-N 2 0 240.351 -0.913 20 0 BBADRP CN1CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000646833147 388562836 /nfs/dbraw/zinc/56/28/36/388562836.db2.gz BNJSWWXOXSFBBU-WDEREUQCSA-N 2 0 240.351 -0.913 20 0 BBADRP CN1CCN(C(=O)CC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000646833195 388563130 /nfs/dbraw/zinc/56/31/30/388563130.db2.gz OVOBMRQVWJHBLP-SECBINFHSA-N 2 0 228.340 -0.785 20 0 BBADRP CN1CCN(C(=O)CC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000646833196 388563709 /nfs/dbraw/zinc/56/37/09/388563709.db2.gz OVOBMRQVWJHBLP-VIFPVBQESA-N 2 0 228.340 -0.785 20 0 BBADRP CN1CCN(C(=O)CC2(C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000646835378 388564831 /nfs/dbraw/zinc/56/48/31/388564831.db2.gz RPMALIBEMYKYNW-JTQLQIEISA-N 2 0 240.351 -0.783 20 0 BBADRP CN1CCN(C(=O)CC2(C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000646835379 388564595 /nfs/dbraw/zinc/56/45/95/388564595.db2.gz RPMALIBEMYKYNW-SNVBAGLBSA-N 2 0 240.351 -0.783 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CCO1 ZINC000646842643 388617274 /nfs/dbraw/zinc/61/72/74/388617274.db2.gz CTYSNWPAYUNEJV-HOSYDEDBSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CCO1 ZINC000646842644 388617800 /nfs/dbraw/zinc/61/78/00/388617800.db2.gz CTYSNWPAYUNEJV-JBLDHEPKSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000646842645 388617926 /nfs/dbraw/zinc/61/79/26/388617926.db2.gz CTYSNWPAYUNEJV-NHCYSSNCSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000646842646 388617604 /nfs/dbraw/zinc/61/76/04/388617604.db2.gz CTYSNWPAYUNEJV-UMNHJUIQSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CCO1 ZINC000646842982 398097369 /nfs/dbraw/zinc/09/73/69/398097369.db2.gz GCQQMGWOBOFXQB-BDAKNGLRSA-N 2 0 229.324 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC(C)(C)[NH3+])CCO1 ZINC000646842984 398097247 /nfs/dbraw/zinc/09/72/47/398097247.db2.gz GCQQMGWOBOFXQB-DTWKUNHWSA-N 2 0 229.324 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CCO1 ZINC000646842985 398097229 /nfs/dbraw/zinc/09/72/29/398097229.db2.gz GCQQMGWOBOFXQB-IUCAKERBSA-N 2 0 229.324 -0.312 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC(C)(C)[NH3+])CCO1 ZINC000646842987 398097260 /nfs/dbraw/zinc/09/72/60/398097260.db2.gz GCQQMGWOBOFXQB-RKDXNWHRSA-N 2 0 229.324 -0.312 20 0 BBADRP C[NH2+]CCCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646843035 398097290 /nfs/dbraw/zinc/09/72/90/398097290.db2.gz GSZLHIDHVCAFOG-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]CCCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646843036 398097680 /nfs/dbraw/zinc/09/76/80/398097680.db2.gz GSZLHIDHVCAFOG-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]CCCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646843037 398097242 /nfs/dbraw/zinc/09/72/42/398097242.db2.gz GSZLHIDHVCAFOG-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP C[NH2+]CCCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646843038 398097302 /nfs/dbraw/zinc/09/73/02/398097302.db2.gz GSZLHIDHVCAFOG-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000646843609 388619181 /nfs/dbraw/zinc/61/91/81/388619181.db2.gz KMCRRINMNTWVAZ-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000646843610 388619300 /nfs/dbraw/zinc/61/93/00/388619300.db2.gz KMCRRINMNTWVAZ-HBNTYKKESA-N 2 0 241.335 -0.297 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646843621 388619450 /nfs/dbraw/zinc/61/94/50/388619450.db2.gz KWFAUFIFOUPMPW-AXFHLTTASA-N 2 0 243.351 -0.051 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646843622 388619205 /nfs/dbraw/zinc/61/92/05/388619205.db2.gz KWFAUFIFOUPMPW-GMTAPVOTSA-N 2 0 243.351 -0.051 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646843623 388618793 /nfs/dbraw/zinc/61/87/93/388618793.db2.gz KWFAUFIFOUPMPW-HBNTYKKESA-N 2 0 243.351 -0.051 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646843624 388618934 /nfs/dbraw/zinc/61/89/34/388618934.db2.gz KWFAUFIFOUPMPW-MXWKQRLJSA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646843813 388619862 /nfs/dbraw/zinc/61/98/62/388619862.db2.gz LZPSJBFMJVEWHB-AEJSXWLSSA-N 2 0 229.324 -0.456 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646843814 388620606 /nfs/dbraw/zinc/62/06/06/388620606.db2.gz LZPSJBFMJVEWHB-BBBLOLIVSA-N 2 0 229.324 -0.456 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646843815 388620533 /nfs/dbraw/zinc/62/05/33/388620533.db2.gz LZPSJBFMJVEWHB-GUBZILKMSA-N 2 0 229.324 -0.456 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646843816 388620759 /nfs/dbraw/zinc/62/07/59/388620759.db2.gz LZPSJBFMJVEWHB-IVZWLZJFSA-N 2 0 229.324 -0.456 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646843817 388620346 /nfs/dbraw/zinc/62/03/46/388620346.db2.gz LZPSJBFMJVEWHB-KXUCPTDWSA-N 2 0 229.324 -0.456 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646843818 388620079 /nfs/dbraw/zinc/62/00/79/388620079.db2.gz LZPSJBFMJVEWHB-LPEHRKFASA-N 2 0 229.324 -0.456 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646843819 388620230 /nfs/dbraw/zinc/62/02/30/388620230.db2.gz LZPSJBFMJVEWHB-OPRDCNLKSA-N 2 0 229.324 -0.456 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646843820 388620166 /nfs/dbraw/zinc/62/01/66/388620166.db2.gz LZPSJBFMJVEWHB-UTLUCORTSA-N 2 0 229.324 -0.456 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000646843821 388620610 /nfs/dbraw/zinc/62/06/10/388620610.db2.gz LZWBDBYERDYFAC-GXSJLCMTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000646843822 388619810 /nfs/dbraw/zinc/61/98/10/388619810.db2.gz LZWBDBYERDYFAC-KOLCDFICSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000646843823 388620037 /nfs/dbraw/zinc/62/00/37/388620037.db2.gz LZWBDBYERDYFAC-MWLCHTKSSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 ZINC000646843824 388620333 /nfs/dbraw/zinc/62/03/33/388620333.db2.gz LZWBDBYERDYFAC-ONGXEEELSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646844142 388618373 /nfs/dbraw/zinc/61/83/73/388618373.db2.gz OWXASTVAQOCKLW-AEJSXWLSSA-N 2 0 229.324 -0.584 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646844143 388618261 /nfs/dbraw/zinc/61/82/61/388618261.db2.gz OWXASTVAQOCKLW-GUBZILKMSA-N 2 0 229.324 -0.584 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646844144 388618312 /nfs/dbraw/zinc/61/83/12/388618312.db2.gz OWXASTVAQOCKLW-IVZWLZJFSA-N 2 0 229.324 -0.584 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646844145 388618420 /nfs/dbraw/zinc/61/84/20/388618420.db2.gz OWXASTVAQOCKLW-LPEHRKFASA-N 2 0 229.324 -0.584 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CCO1 ZINC000646844150 388618220 /nfs/dbraw/zinc/61/82/20/388618220.db2.gz PEFDLVOEQYKVDP-AEJSXWLSSA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CCO1 ZINC000646844151 388618428 /nfs/dbraw/zinc/61/84/28/388618428.db2.gz PEFDLVOEQYKVDP-GUBZILKMSA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CCO1 ZINC000646844152 388618404 /nfs/dbraw/zinc/61/84/04/388618404.db2.gz PEFDLVOEQYKVDP-IVZWLZJFSA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CCO1 ZINC000646844153 388618224 /nfs/dbraw/zinc/61/82/24/388618224.db2.gz PEFDLVOEQYKVDP-LPEHRKFASA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CCO1 ZINC000646844206 388618321 /nfs/dbraw/zinc/61/83/21/388618321.db2.gz PVXPKEQIWWEPFH-MMWGEVLESA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@H]2C)CCO1 ZINC000646844207 388618147 /nfs/dbraw/zinc/61/81/47/388618147.db2.gz PVXPKEQIWWEPFH-NAKRPEOUSA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CCO1 ZINC000646844208 388618174 /nfs/dbraw/zinc/61/81/74/388618174.db2.gz PVXPKEQIWWEPFH-VLEAKVRGSA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CCO1 ZINC000646844209 388618246 /nfs/dbraw/zinc/61/82/46/388618246.db2.gz PVXPKEQIWWEPFH-ZDCRXTMVSA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646844268 388618341 /nfs/dbraw/zinc/61/83/41/388618341.db2.gz QUBPDTZDWUSPAT-IMSYWVGJSA-N 2 0 229.324 -0.456 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646844269 388618167 /nfs/dbraw/zinc/61/81/67/388618167.db2.gz QUBPDTZDWUSPAT-JXUBOQSCSA-N 2 0 229.324 -0.456 20 0 BBADRP C[C@@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[C@H](C)[NH3+] ZINC000646844270 388618482 /nfs/dbraw/zinc/61/84/82/388618482.db2.gz QUBPDTZDWUSPAT-KATARQTJSA-N 2 0 229.324 -0.456 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646844271 388618285 /nfs/dbraw/zinc/61/82/85/388618285.db2.gz QUBPDTZDWUSPAT-XKNYDFJKSA-N 2 0 229.324 -0.456 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)C[NH3+])CCO1 ZINC000646844500 388618349 /nfs/dbraw/zinc/61/83/49/388618349.db2.gz VIHSGQQUBNYCRF-BDAKNGLRSA-N 2 0 229.324 -0.454 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)C[NH3+])CCO1 ZINC000646844501 388618480 /nfs/dbraw/zinc/61/84/80/388618480.db2.gz VIHSGQQUBNYCRF-DTWKUNHWSA-N 2 0 229.324 -0.454 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)C[NH3+])CCO1 ZINC000646844502 388618305 /nfs/dbraw/zinc/61/83/05/388618305.db2.gz VIHSGQQUBNYCRF-IUCAKERBSA-N 2 0 229.324 -0.454 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)C[NH3+])CCO1 ZINC000646844503 388618370 /nfs/dbraw/zinc/61/83/70/388618370.db2.gz VIHSGQQUBNYCRF-RKDXNWHRSA-N 2 0 229.324 -0.454 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC[C@H](C)[NH3+])CCO1 ZINC000646844658 388618709 /nfs/dbraw/zinc/61/87/09/388618709.db2.gz YIFJTGJLIGDEDO-AEJSXWLSSA-N 2 0 229.324 -0.312 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646844659 388618653 /nfs/dbraw/zinc/61/86/53/388618653.db2.gz YIFJTGJLIGDEDO-GUBZILKMSA-N 2 0 229.324 -0.312 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC[C@H](C)[NH3+])CCO1 ZINC000646844660 388619456 /nfs/dbraw/zinc/61/94/56/388619456.db2.gz YIFJTGJLIGDEDO-IVZWLZJFSA-N 2 0 229.324 -0.312 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646844661 388619461 /nfs/dbraw/zinc/61/94/61/388619461.db2.gz YIFJTGJLIGDEDO-LPEHRKFASA-N 2 0 229.324 -0.312 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646844773 388623832 /nfs/dbraw/zinc/62/38/32/388623832.db2.gz AEDGADDQCFNYIN-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646844774 388624358 /nfs/dbraw/zinc/62/43/58/388624358.db2.gz AEDGADDQCFNYIN-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646844775 388624387 /nfs/dbraw/zinc/62/43/87/388624387.db2.gz AEDGADDQCFNYIN-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646844776 388624092 /nfs/dbraw/zinc/62/40/92/388624092.db2.gz AEDGADDQCFNYIN-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646846598 388624168 /nfs/dbraw/zinc/62/41/68/388624168.db2.gz UAOUYYMMWVQZHH-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646846599 388624179 /nfs/dbraw/zinc/62/41/79/388624179.db2.gz UAOUYYMMWVQZHH-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646846600 388623892 /nfs/dbraw/zinc/62/38/92/388623892.db2.gz UAOUYYMMWVQZHH-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646846601 388624378 /nfs/dbraw/zinc/62/43/78/388624378.db2.gz UAOUYYMMWVQZHH-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646848121 388624157 /nfs/dbraw/zinc/62/41/57/388624157.db2.gz KVXMQJKNDOOFPC-GHMZBOCLSA-N 2 0 243.351 -0.099 20 0 BBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646848122 388624514 /nfs/dbraw/zinc/62/45/14/388624514.db2.gz KVXMQJKNDOOFPC-MNOVXSKESA-N 2 0 243.351 -0.099 20 0 BBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646848123 388624470 /nfs/dbraw/zinc/62/44/70/388624470.db2.gz KVXMQJKNDOOFPC-QWRGUYRKSA-N 2 0 243.351 -0.099 20 0 BBADRP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646848124 388625336 /nfs/dbraw/zinc/62/53/36/388625336.db2.gz KVXMQJKNDOOFPC-WDEREUQCSA-N 2 0 243.351 -0.099 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CCO1 ZINC000646850544 388625060 /nfs/dbraw/zinc/62/50/60/388625060.db2.gz FGCXGJJVDVPVRX-BDAKNGLRSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CCO1 ZINC000646850545 388625321 /nfs/dbraw/zinc/62/53/21/388625321.db2.gz FGCXGJJVDVPVRX-DTWKUNHWSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CCO1 ZINC000646850546 388625021 /nfs/dbraw/zinc/62/50/21/388625021.db2.gz FGCXGJJVDVPVRX-IUCAKERBSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CCO1 ZINC000646850547 388625543 /nfs/dbraw/zinc/62/55/43/388625543.db2.gz FGCXGJJVDVPVRX-RKDXNWHRSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CCO1 ZINC000646850552 388625168 /nfs/dbraw/zinc/62/51/68/388625168.db2.gz FHYYVROJJPHWSV-NXEZZACHSA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)CCO1 ZINC000646850553 388625036 /nfs/dbraw/zinc/62/50/36/388625036.db2.gz FHYYVROJJPHWSV-UWVGGRQHSA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CCO1 ZINC000646850554 388625195 /nfs/dbraw/zinc/62/51/95/388625195.db2.gz FHYYVROJJPHWSV-VHSXEESVSA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)CCO1 ZINC000646850555 388625492 /nfs/dbraw/zinc/62/54/92/388625492.db2.gz FHYYVROJJPHWSV-ZJUUUORDSA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000646850947 388625183 /nfs/dbraw/zinc/62/51/83/388625183.db2.gz LYRAWIXXFQGGPK-GDPRMGEGSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000646850948 388625346 /nfs/dbraw/zinc/62/53/46/388625346.db2.gz LYRAWIXXFQGGPK-INTQDDNPSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000646850949 388625221 /nfs/dbraw/zinc/62/52/21/388625221.db2.gz LYRAWIXXFQGGPK-JMJZKYOTSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000646850950 388624948 /nfs/dbraw/zinc/62/49/48/388624948.db2.gz LYRAWIXXFQGGPK-LSJOCFKGSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2([NH3+])CCC2)CCO1 ZINC000646851379 388625145 /nfs/dbraw/zinc/62/51/45/388625145.db2.gz UKCVNGGJOJKILQ-BDAKNGLRSA-N 2 0 227.308 -0.558 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2([NH3+])CCC2)CCO1 ZINC000646851380 388625113 /nfs/dbraw/zinc/62/51/13/388625113.db2.gz UKCVNGGJOJKILQ-DTWKUNHWSA-N 2 0 227.308 -0.558 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2([NH3+])CCC2)CCO1 ZINC000646851381 388625418 /nfs/dbraw/zinc/62/54/18/388625418.db2.gz UKCVNGGJOJKILQ-IUCAKERBSA-N 2 0 227.308 -0.558 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C2([NH3+])CCC2)CCO1 ZINC000646851382 388624938 /nfs/dbraw/zinc/62/49/38/388624938.db2.gz UKCVNGGJOJKILQ-RKDXNWHRSA-N 2 0 227.308 -0.558 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646856263 388626033 /nfs/dbraw/zinc/62/60/33/388626033.db2.gz DIHGVIUYRFGFAX-MMWGEVLESA-N 2 0 243.351 -0.066 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646856264 388625996 /nfs/dbraw/zinc/62/59/96/388625996.db2.gz DIHGVIUYRFGFAX-NAKRPEOUSA-N 2 0 243.351 -0.066 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646856265 388625898 /nfs/dbraw/zinc/62/58/98/388625898.db2.gz DIHGVIUYRFGFAX-VLEAKVRGSA-N 2 0 243.351 -0.066 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646856266 388625992 /nfs/dbraw/zinc/62/59/92/388625992.db2.gz DIHGVIUYRFGFAX-ZDCRXTMVSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646856279 388626321 /nfs/dbraw/zinc/62/63/21/388626321.db2.gz DQBNODAWQWQWOV-DCAQKATOSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646856280 388626036 /nfs/dbraw/zinc/62/60/36/388626036.db2.gz DQBNODAWQWQWOV-GARJFASQSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646856281 388626063 /nfs/dbraw/zinc/62/60/63/388626063.db2.gz DQBNODAWQWQWOV-OUAUKWLOSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646856282 388626353 /nfs/dbraw/zinc/62/63/53/388626353.db2.gz DQBNODAWQWQWOV-VWYCJHECSA-N 2 0 243.351 -0.066 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000646857000 388626087 /nfs/dbraw/zinc/62/60/87/388626087.db2.gz UZMXMMRMSJQIRK-PSASIEDQSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000646857001 388626265 /nfs/dbraw/zinc/62/62/65/388626265.db2.gz UZMXMMRMSJQIRK-SCZZXKLOSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000646857002 388626251 /nfs/dbraw/zinc/62/62/51/388626251.db2.gz UZMXMMRMSJQIRK-WCBMZHEXSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000646857003 388625888 /nfs/dbraw/zinc/62/58/88/388625888.db2.gz UZMXMMRMSJQIRK-WPRPVWTQSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000646857153 388626318 /nfs/dbraw/zinc/62/63/18/388626318.db2.gz XNDMXOWALXAAEK-AEJSXWLSSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000646857154 388626093 /nfs/dbraw/zinc/62/60/93/388626093.db2.gz XNDMXOWALXAAEK-GUBZILKMSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000646857155 388626050 /nfs/dbraw/zinc/62/60/50/388626050.db2.gz XNDMXOWALXAAEK-IVZWLZJFSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000646857156 388626155 /nfs/dbraw/zinc/62/61/55/388626155.db2.gz XNDMXOWALXAAEK-LPEHRKFASA-N 2 0 227.308 -0.687 20 0 BBADRP CCCN(C(=O)COCC[NH3+])C1CC[NH2+]CC1 ZINC000646863540 388636008 /nfs/dbraw/zinc/63/60/08/388636008.db2.gz FOUJJGRQEGHAIY-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000646902501 384807052 /nfs/dbraw/zinc/80/70/52/384807052.db2.gz LGGNSGASDQWLIE-SECBINFHSA-N 2 0 211.309 -0.031 20 0 BBADRP [NH3+]CC1(CC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000646902502 384809008 /nfs/dbraw/zinc/80/90/08/384809008.db2.gz LGGNSGASDQWLIE-VIFPVBQESA-N 2 0 211.309 -0.031 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000646905106 385013807 /nfs/dbraw/zinc/01/38/07/385013807.db2.gz AHFBNZAEPBMSRT-QWRGUYRKSA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CCNC(=O)c1ccc(C[NH3+])o1 ZINC000646905165 385016008 /nfs/dbraw/zinc/01/60/08/385016008.db2.gz MXVBRORTTRGKIJ-UHFFFAOYSA-N 2 0 241.291 -0.296 20 0 BBADRP COCC[NH2+]CCNC(=O)CC1CC[NH2+]CC1 ZINC000646905205 385014060 /nfs/dbraw/zinc/01/40/60/385014060.db2.gz VADXFAMUBRSGON-UHFFFAOYSA-N 2 0 243.351 -0.272 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646905235 491104380 /nfs/dbraw/zinc/10/43/80/491104380.db2.gz ZQWVJPOEMXGIQQ-SECBINFHSA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646905236 491104572 /nfs/dbraw/zinc/10/45/72/491104572.db2.gz ZQWVJPOEMXGIQQ-VIFPVBQESA-N 2 0 229.324 -0.663 20 0 BBADRP COCC[NH2+]CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000646905794 385024989 /nfs/dbraw/zinc/02/49/89/385024989.db2.gz HJWLIMOBTFPSHA-NSHDSACASA-N 2 0 243.351 -0.129 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000646905835 385025852 /nfs/dbraw/zinc/02/58/52/385025852.db2.gz IWYJNOVHJGEREN-JTQLQIEISA-N 2 0 229.324 -0.534 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000646905836 385024689 /nfs/dbraw/zinc/02/46/89/385024689.db2.gz IWYJNOVHJGEREN-SNVBAGLBSA-N 2 0 229.324 -0.534 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646906281 385037562 /nfs/dbraw/zinc/03/75/62/385037562.db2.gz YGTOOYDKCIHXHE-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NCC[NH2+]CCOC ZINC000646907800 385054330 /nfs/dbraw/zinc/05/43/30/385054330.db2.gz DIOGVPMWXKGZCA-LLVKDONJSA-N 2 0 231.340 -0.144 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NCC[NH2+]CCOC ZINC000646907801 385053605 /nfs/dbraw/zinc/05/36/05/385053605.db2.gz DIOGVPMWXKGZCA-NSHDSACASA-N 2 0 231.340 -0.144 20 0 BBADRP C[NH2+]CCC1CCN(C(=O)COCC[NH3+])CC1 ZINC000646915410 385069698 /nfs/dbraw/zinc/06/96/98/385069698.db2.gz HXAZOFUAIPCDFO-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP C[NH2+]CCC1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000646917321 385057498 /nfs/dbraw/zinc/05/74/98/385057498.db2.gz GJRPIIRFVYESFV-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+]CCC1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000646917322 385058798 /nfs/dbraw/zinc/05/87/98/385058798.db2.gz GJRPIIRFVYESFV-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CC1(CNC(=O)COCC[NH3+])CC[NH2+]CC1 ZINC000646963660 385090909 /nfs/dbraw/zinc/09/09/09/385090909.db2.gz UDPYTOPOOILDJN-UHFFFAOYSA-N 2 0 229.324 -0.532 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000646965940 385091503 /nfs/dbraw/zinc/09/15/03/385091503.db2.gz FODHESIMPYINGU-GFCCVEGCSA-N 2 0 243.351 -0.272 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000646965941 385090492 /nfs/dbraw/zinc/09/04/92/385090492.db2.gz FODHESIMPYINGU-LBPRGKRZSA-N 2 0 243.351 -0.272 20 0 BBADRP C[C@@]1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000646965980 385090534 /nfs/dbraw/zinc/09/05/34/385090534.db2.gz OFPOPULTMYUCDW-CMPLNLGQSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@]1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000646965981 385090006 /nfs/dbraw/zinc/09/00/06/385090006.db2.gz OFPOPULTMYUCDW-JQWIXIFHSA-N 2 0 241.335 -0.519 20 0 BBADRP C[C@@]1(CNC(=O)COCC[NH3+])CCC[NH2+]C1 ZINC000646966018 385091823 /nfs/dbraw/zinc/09/18/23/385091823.db2.gz XDAJZEPVZXGSTO-LLVKDONJSA-N 2 0 229.324 -0.532 20 0 BBADRP C[C@]1(CNC(=O)COCC[NH3+])CCC[NH2+]C1 ZINC000646966019 385091292 /nfs/dbraw/zinc/09/12/92/385091292.db2.gz XDAJZEPVZXGSTO-NSHDSACASA-N 2 0 229.324 -0.532 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000646966551 385091837 /nfs/dbraw/zinc/09/18/37/385091837.db2.gz RWNBIABBICCRFJ-AXFHLTTASA-N 2 0 241.335 -0.453 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000646966552 385090102 /nfs/dbraw/zinc/09/01/02/385090102.db2.gz RWNBIABBICCRFJ-DCAQKATOSA-N 2 0 241.335 -0.453 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000646966553 385091704 /nfs/dbraw/zinc/09/17/04/385091704.db2.gz RWNBIABBICCRFJ-GARJFASQSA-N 2 0 241.335 -0.453 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000646966554 385090927 /nfs/dbraw/zinc/09/09/27/385090927.db2.gz RWNBIABBICCRFJ-HBNTYKKESA-N 2 0 241.335 -0.453 20 0 BBADRP C[C@H](C[NH3+])NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646969212 385096160 /nfs/dbraw/zinc/09/61/60/385096160.db2.gz ASBDWPYSIUVIAX-HTQZYQBOSA-N 2 0 237.307 -0.436 20 0 BBADRP C[C@H](C[NH3+])NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646969213 385095278 /nfs/dbraw/zinc/09/52/78/385095278.db2.gz ASBDWPYSIUVIAX-SFYZADRCSA-N 2 0 237.307 -0.436 20 0 BBADRP COCC1(C(=O)N[C@H](C)C[NH3+])CC[NH2+]CC1 ZINC000646969340 385095170 /nfs/dbraw/zinc/09/51/70/385095170.db2.gz SQQBAQXHWZTHGU-SECBINFHSA-N 2 0 229.324 -0.534 20 0 BBADRP COC[C@@]1(C(=O)N[C@H](C)C[NH3+])CC[NH2+]C1 ZINC000646969932 385096571 /nfs/dbraw/zinc/09/65/71/385096571.db2.gz HCXAPXRDMQUMCE-PSASIEDQSA-N 2 0 215.297 -0.924 20 0 BBADRP COC[C@]1(C(=O)N[C@H](C)C[NH3+])CC[NH2+]C1 ZINC000646969933 385095620 /nfs/dbraw/zinc/09/56/20/385095620.db2.gz HCXAPXRDMQUMCE-SCZZXKLOSA-N 2 0 215.297 -0.924 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CCO1 ZINC000646972367 385100729 /nfs/dbraw/zinc/10/07/29/385100729.db2.gz UXVMFCUJBYNHRT-SECBINFHSA-N 2 0 227.308 -0.556 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)CC2([NH3+])CCC2)CCO1 ZINC000646972369 385099429 /nfs/dbraw/zinc/09/94/29/385099429.db2.gz UXVMFCUJBYNHRT-VIFPVBQESA-N 2 0 227.308 -0.556 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000646972388 385099262 /nfs/dbraw/zinc/09/92/62/385099262.db2.gz VKNRWXIJTSENTI-BDAKNGLRSA-N 2 0 227.308 -0.830 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000646972389 385100599 /nfs/dbraw/zinc/10/05/99/385100599.db2.gz VKNRWXIJTSENTI-DTWKUNHWSA-N 2 0 227.308 -0.830 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000646972390 385099205 /nfs/dbraw/zinc/09/92/05/385099205.db2.gz VKNRWXIJTSENTI-IUCAKERBSA-N 2 0 227.308 -0.830 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000646972391 385099417 /nfs/dbraw/zinc/09/94/17/385099417.db2.gz VKNRWXIJTSENTI-RKDXNWHRSA-N 2 0 227.308 -0.830 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000646972900 385099977 /nfs/dbraw/zinc/09/99/77/385099977.db2.gz QTBYYIFSYABOQW-GHMZBOCLSA-N 2 0 241.335 -0.343 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000646972901 385099718 /nfs/dbraw/zinc/09/97/18/385099718.db2.gz QTBYYIFSYABOQW-WDEREUQCSA-N 2 0 241.335 -0.343 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000646973065 385100758 /nfs/dbraw/zinc/10/07/58/385100758.db2.gz KORBVAGXQGQUEI-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000646973066 385099470 /nfs/dbraw/zinc/09/94/70/385099470.db2.gz KORBVAGXQGQUEI-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP CC(C)[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000646973082 385099370 /nfs/dbraw/zinc/09/93/70/385099370.db2.gz MCZLAPSZBDDFTL-AXFHLTTASA-N 2 0 243.351 -0.208 20 0 BBADRP CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000646973083 385100765 /nfs/dbraw/zinc/10/07/65/385100765.db2.gz MCZLAPSZBDDFTL-DCAQKATOSA-N 2 0 243.351 -0.208 20 0 BBADRP CC(C)[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H](C)[NH3+] ZINC000646973084 385100751 /nfs/dbraw/zinc/10/07/51/385100751.db2.gz MCZLAPSZBDDFTL-MXWKQRLJSA-N 2 0 243.351 -0.208 20 0 BBADRP CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[C@@H](C)[NH3+] ZINC000646973085 385100799 /nfs/dbraw/zinc/10/07/99/385100799.db2.gz MCZLAPSZBDDFTL-VWYCJHECSA-N 2 0 243.351 -0.208 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH3+])CCC2)CCO1 ZINC000646973164 385100446 /nfs/dbraw/zinc/10/04/46/385100446.db2.gz SRZXXRYRWMLRLN-MRVPVSSYSA-N 2 0 213.281 -0.946 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C2([NH3+])CCC2)CCO1 ZINC000646973165 385099921 /nfs/dbraw/zinc/09/99/21/385099921.db2.gz SRZXXRYRWMLRLN-QMMMGPOBSA-N 2 0 213.281 -0.946 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000646973281 385102169 /nfs/dbraw/zinc/10/21/69/385102169.db2.gz KDUXUMHBSHPIEV-QWRGUYRKSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000646973282 385103784 /nfs/dbraw/zinc/10/37/84/385103784.db2.gz KDUXUMHBSHPIEV-WDEREUQCSA-N 2 0 241.335 -0.295 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000646973413 385102434 /nfs/dbraw/zinc/10/24/34/385102434.db2.gz HKATWFRKAKIIQG-NXEZZACHSA-N 2 0 229.324 -0.454 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000646973414 385102236 /nfs/dbraw/zinc/10/22/36/385102236.db2.gz HKATWFRKAKIIQG-VHSXEESVSA-N 2 0 229.324 -0.454 20 0 BBADRP COCC[NH2+]CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000646983374 385115733 /nfs/dbraw/zinc/11/57/33/385115733.db2.gz NCQHVXGEFHWBOD-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP CC1(C(=O)N[C@@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000646984987 385111186 /nfs/dbraw/zinc/11/11/86/385111186.db2.gz HYDQWXRVHCZWLO-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP CC1(C(=O)N[C@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000646984988 385112073 /nfs/dbraw/zinc/11/20/73/385112073.db2.gz HYDQWXRVHCZWLO-VIFPVBQESA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000646985132 385112279 /nfs/dbraw/zinc/11/22/79/385112279.db2.gz OQOZEHQVJVWGOG-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000646985133 385112314 /nfs/dbraw/zinc/11/23/14/385112314.db2.gz OQOZEHQVJVWGOG-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000646985134 385111926 /nfs/dbraw/zinc/11/19/26/385111926.db2.gz OQOZEHQVJVWGOG-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000646985135 385110699 /nfs/dbraw/zinc/11/06/99/385110699.db2.gz OQOZEHQVJVWGOG-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CCOC1C[NH2+]C1)N[C@H]1CCC[NH2+]CC1 ZINC000646988163 385117500 /nfs/dbraw/zinc/11/75/00/385117500.db2.gz HOZHHEBOASCZRM-JTQLQIEISA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CCOC1C[NH2+]C1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988164 385118056 /nfs/dbraw/zinc/11/80/56/385118056.db2.gz HOZHHEBOASCZRM-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC000646988249 385117407 /nfs/dbraw/zinc/11/74/07/385117407.db2.gz KNQDCZBSSOZPTB-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC000646988250 385117626 /nfs/dbraw/zinc/11/76/26/385117626.db2.gz KNQDCZBSSOZPTB-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC000646988251 385117507 /nfs/dbraw/zinc/11/75/07/385117507.db2.gz KNQDCZBSSOZPTB-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC000646988252 385117886 /nfs/dbraw/zinc/11/78/86/385117886.db2.gz KNQDCZBSSOZPTB-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988429 385121589 /nfs/dbraw/zinc/12/15/89/385121589.db2.gz PPFJWBYVBSDJAP-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988430 385121422 /nfs/dbraw/zinc/12/14/22/385121422.db2.gz PPFJWBYVBSDJAP-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988453 385121440 /nfs/dbraw/zinc/12/14/40/385121440.db2.gz QFMKQGLEZFPKSW-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988454 385121055 /nfs/dbraw/zinc/12/10/55/385121055.db2.gz QFMKQGLEZFPKSW-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCC[NH2+]CC1 ZINC000646988455 385119969 /nfs/dbraw/zinc/11/99/69/385119969.db2.gz QFMKQGLEZFPKSW-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCC[NH2+]CC1 ZINC000646988456 385120199 /nfs/dbraw/zinc/12/01/99/385120199.db2.gz QFMKQGLEZFPKSW-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP [NH3+]CCOCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990658 385126699 /nfs/dbraw/zinc/12/66/99/385126699.db2.gz WCFLPVTZCYFUTK-UHFFFAOYSA-N 2 0 249.314 -0.119 20 0 BBADRP CC1([NH3+])CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000646991546 385125242 /nfs/dbraw/zinc/12/52/42/385125242.db2.gz FAHHUQJEZGHWKC-UHFFFAOYSA-N 2 0 241.335 -0.295 20 0 BBADRP CC1(C(=O)N2CCC(C)([NH3+])CC2)C[NH2+]C1 ZINC000646993346 385123822 /nfs/dbraw/zinc/12/38/22/385123822.db2.gz RZXSSJUEPJZNIK-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646998051 385128523 /nfs/dbraw/zinc/12/85/23/385128523.db2.gz FDCLUNXJVMBTEL-AEJSXWLSSA-N 2 0 229.324 -0.264 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998052 385128571 /nfs/dbraw/zinc/12/85/71/385128571.db2.gz FDCLUNXJVMBTEL-BBBLOLIVSA-N 2 0 229.324 -0.264 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646998053 385129392 /nfs/dbraw/zinc/12/93/92/385129392.db2.gz FDCLUNXJVMBTEL-GUBZILKMSA-N 2 0 229.324 -0.264 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998054 385128190 /nfs/dbraw/zinc/12/81/90/385128190.db2.gz FDCLUNXJVMBTEL-UTLUCORTSA-N 2 0 229.324 -0.264 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000646998085 385128925 /nfs/dbraw/zinc/12/89/25/385128925.db2.gz IPTJBDVVFJSMBW-MXWKQRLJSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000646998086 385129462 /nfs/dbraw/zinc/12/94/62/385129462.db2.gz IPTJBDVVFJSMBW-VWYCJHECSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000646998165 385130843 /nfs/dbraw/zinc/13/08/43/385130843.db2.gz SLSOHTHSMLJOIV-NXEZZACHSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@H]1CCC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000646998166 385132551 /nfs/dbraw/zinc/13/25/51/385132551.db2.gz SLSOHTHSMLJOIV-UWVGGRQHSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000646998167 385130961 /nfs/dbraw/zinc/13/09/61/385130961.db2.gz SLSOHTHSMLJOIV-VHSXEESVSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CCOC2C[NH2+]C2)C1 ZINC000646998168 385131179 /nfs/dbraw/zinc/13/11/79/385131179.db2.gz SLSOHTHSMLJOIV-ZJUUUORDSA-N 2 0 241.335 -0.249 20 0 BBADRP CC[C@@H]1CN(C(=O)C[C@H](C[NH3+])OC)CC[C@H]1[NH3+] ZINC000647015283 385140986 /nfs/dbraw/zinc/14/09/86/385140986.db2.gz LTECVLGEWUFBOR-GMTAPVOTSA-N 2 0 243.351 -0.064 20 0 BBADRP CC[C@@H]1CN(C(=O)C[C@H](C[NH3+])OC)CC[C@@H]1[NH3+] ZINC000647015284 385139311 /nfs/dbraw/zinc/13/93/11/385139311.db2.gz LTECVLGEWUFBOR-MXWKQRLJSA-N 2 0 243.351 -0.064 20 0 BBADRP CC[C@@H]1CN(C(=O)C[C@@H](C[NH3+])OC)CC[C@H]1[NH3+] ZINC000647015285 385141363 /nfs/dbraw/zinc/14/13/63/385141363.db2.gz LTECVLGEWUFBOR-OUAUKWLOSA-N 2 0 243.351 -0.064 20 0 BBADRP CC[C@@H]1CN(C(=O)C[C@@H](C[NH3+])OC)CC[C@@H]1[NH3+] ZINC000647015286 385140243 /nfs/dbraw/zinc/14/02/43/385140243.db2.gz LTECVLGEWUFBOR-VWYCJHECSA-N 2 0 243.351 -0.064 20 0 BBADRP CC[C@@H]1CN(C(=O)C[NH2+]CCOC)CC[C@H]1[NH3+] ZINC000647015566 385139900 /nfs/dbraw/zinc/13/99/00/385139900.db2.gz URWDZLPEQZMOQS-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@@H]1CN(C(=O)C[NH2+]CCOC)CC[C@@H]1[NH3+] ZINC000647015567 385141681 /nfs/dbraw/zinc/14/16/81/385141681.db2.gz URWDZLPEQZMOQS-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@H]1CN(C(=O)C[NH2+]CCOC)CC[C@@H]1[NH3+] ZINC000647015568 385140687 /nfs/dbraw/zinc/14/06/87/385140687.db2.gz URWDZLPEQZMOQS-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@H]1CN(C(=O)C[NH2+]CCOC)CC[C@H]1[NH3+] ZINC000647015569 385139668 /nfs/dbraw/zinc/13/96/68/385139668.db2.gz URWDZLPEQZMOQS-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000647015690 385140161 /nfs/dbraw/zinc/14/01/61/385140161.db2.gz XMZOXFITXIBYHF-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000647015691 385140406 /nfs/dbraw/zinc/14/04/06/385140406.db2.gz XMZOXFITXIBYHF-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000647015692 385139338 /nfs/dbraw/zinc/13/93/38/385139338.db2.gz XMZOXFITXIBYHF-HBNTYKKESA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000647015693 385139405 /nfs/dbraw/zinc/13/94/05/385139405.db2.gz XMZOXFITXIBYHF-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000647015694 385140669 /nfs/dbraw/zinc/14/06/69/385140669.db2.gz XMZOXFITXIBYHF-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000647015695 385140219 /nfs/dbraw/zinc/14/02/19/385140219.db2.gz XMZOXFITXIBYHF-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000647016168 385144309 /nfs/dbraw/zinc/14/43/09/385144309.db2.gz TXADXUJSNQDRET-KXUCPTDWSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000647018274 385142661 /nfs/dbraw/zinc/14/26/61/385142661.db2.gz YCBOIMQBBBEVNC-BBBLOLIVSA-N 2 0 227.308 -0.769 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000647018275 385142637 /nfs/dbraw/zinc/14/26/37/385142637.db2.gz YCBOIMQBBBEVNC-UTLUCORTSA-N 2 0 227.308 -0.769 20 0 BBADRP COC[C@@]1(C(=O)NC[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000647020736 385148489 /nfs/dbraw/zinc/14/84/89/385148489.db2.gz KUQRGDQCEJPDFF-PSASIEDQSA-N 2 0 215.297 -0.924 20 0 BBADRP COC[C@]1(C(=O)NC[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000647020737 385148811 /nfs/dbraw/zinc/14/88/11/385148811.db2.gz KUQRGDQCEJPDFF-SCZZXKLOSA-N 2 0 215.297 -0.924 20 0 BBADRP COC[C@@]1(C(=O)NC[C@H](C)[NH3+])CC[NH2+]C1 ZINC000647020738 385149514 /nfs/dbraw/zinc/14/95/14/385149514.db2.gz KUQRGDQCEJPDFF-WCBMZHEXSA-N 2 0 215.297 -0.924 20 0 BBADRP COC[C@]1(C(=O)NC[C@H](C)[NH3+])CC[NH2+]C1 ZINC000647020739 385148155 /nfs/dbraw/zinc/14/81/55/385148155.db2.gz KUQRGDQCEJPDFF-WPRPVWTQSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@H]([NH3+])CNC(=O)COC1CCC([NH3+])CC1 ZINC000647022962 385156010 /nfs/dbraw/zinc/15/60/10/385156010.db2.gz KCFSWTIXRCIAIT-IDKOKCKLSA-N 2 0 229.324 -0.264 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)COC1CCC([NH3+])CC1 ZINC000647022963 385155119 /nfs/dbraw/zinc/15/51/19/385155119.db2.gz KCFSWTIXRCIAIT-XNWIYYODSA-N 2 0 229.324 -0.264 20 0 BBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C)[NH3+])C1(C)C ZINC000647023035 385155701 /nfs/dbraw/zinc/15/57/01/385155701.db2.gz MSJNNMBKVBORCA-KBVBSXBZSA-N 2 0 243.351 -0.018 20 0 BBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)[NH3+])C1(C)C ZINC000647023036 385155651 /nfs/dbraw/zinc/15/56/51/385155651.db2.gz MSJNNMBKVBORCA-LNLATYFQSA-N 2 0 243.351 -0.018 20 0 BBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)[NH3+])C1(C)C ZINC000647023037 385155940 /nfs/dbraw/zinc/15/59/40/385155940.db2.gz MSJNNMBKVBORCA-SBMIAAHKSA-N 2 0 243.351 -0.018 20 0 BBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)[NH3+])C1(C)C ZINC000647023038 385155104 /nfs/dbraw/zinc/15/51/04/385155104.db2.gz MSJNNMBKVBORCA-YGOYTEALSA-N 2 0 243.351 -0.018 20 0 BBADRP COCC1(C(=O)NC[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000647023102 385156077 /nfs/dbraw/zinc/15/60/77/385156077.db2.gz ORZQBBKMDQNQIB-SECBINFHSA-N 2 0 229.324 -0.534 20 0 BBADRP COCC1(C(=O)NC[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000647023103 385155733 /nfs/dbraw/zinc/15/57/33/385155733.db2.gz ORZQBBKMDQNQIB-VIFPVBQESA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000647023179 385155225 /nfs/dbraw/zinc/15/52/25/385155225.db2.gz RKJRNJDMFUPVHB-HTQZYQBOSA-N 2 0 237.307 -0.436 20 0 BBADRP C[C@H]([NH3+])CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000647023180 385155305 /nfs/dbraw/zinc/15/53/05/385155305.db2.gz RKJRNJDMFUPVHB-JGVFFNPUSA-N 2 0 237.307 -0.436 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000647023181 385155928 /nfs/dbraw/zinc/15/59/28/385155928.db2.gz RKJRNJDMFUPVHB-SFYZADRCSA-N 2 0 237.307 -0.436 20 0 BBADRP C[C@H]([NH3+])CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000647023182 385155867 /nfs/dbraw/zinc/15/58/67/385155867.db2.gz RKJRNJDMFUPVHB-YUMQZZPRSA-N 2 0 237.307 -0.436 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025668 385159985 /nfs/dbraw/zinc/15/99/85/385159985.db2.gz BZGHTCCWOJTETF-CHWFTXMASA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025669 385159961 /nfs/dbraw/zinc/15/99/61/385159961.db2.gz BZGHTCCWOJTETF-MMWGEVLESA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025670 385161084 /nfs/dbraw/zinc/16/10/84/385161084.db2.gz BZGHTCCWOJTETF-UKKRHICBSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025671 385160325 /nfs/dbraw/zinc/16/03/25/385160325.db2.gz BZGHTCCWOJTETF-ZNSHCXBVSA-N 2 0 223.320 -0.338 20 0 BBADRP [NH3+]C1(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647025735 385159895 /nfs/dbraw/zinc/15/98/95/385159895.db2.gz JXQJHMKXKIHQSK-AOOOYVTPSA-N 2 0 223.320 -0.064 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025777 385160220 /nfs/dbraw/zinc/16/02/20/385160220.db2.gz PBSNYTJVSUCRNH-AEJSXWLSSA-N 2 0 223.320 -0.338 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025778 385160183 /nfs/dbraw/zinc/16/01/83/385160183.db2.gz PBSNYTJVSUCRNH-KXUCPTDWSA-N 2 0 223.320 -0.338 20 0 BBADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000647026360 385159920 /nfs/dbraw/zinc/15/99/20/385159920.db2.gz BCHSVFWEFUCXPU-MNOVXSKESA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000647026361 385160007 /nfs/dbraw/zinc/16/00/07/385160007.db2.gz BCHSVFWEFUCXPU-QWRGUYRKSA-N 2 0 241.335 -0.438 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+]C1CC1 ZINC000647033694 385170935 /nfs/dbraw/zinc/17/09/35/385170935.db2.gz VEISZRRUYVNWFH-WPRPVWTQSA-N 2 0 229.299 -0.103 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[NH+](C)C ZINC000647035533 385168959 /nfs/dbraw/zinc/16/89/59/385168959.db2.gz LBKIKPUZJVZGNU-IUCAKERBSA-N 2 0 217.288 -0.294 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H](C[NH3+])OC ZINC000647035842 385173468 /nfs/dbraw/zinc/17/34/68/385173468.db2.gz DDPYGZAFJCTXHF-GUBZILKMSA-N 2 0 247.314 -0.491 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H](C[NH3+])OC ZINC000647035843 385173089 /nfs/dbraw/zinc/17/30/89/385173089.db2.gz DDPYGZAFJCTXHF-LPEHRKFASA-N 2 0 247.314 -0.491 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COCC[NH3+] ZINC000647036021 385172998 /nfs/dbraw/zinc/17/29/98/385172998.db2.gz OAGADMKJWBZMMW-IUCAKERBSA-N 2 0 233.287 -0.880 20 0 BBADRP COCC1(CNC(=O)C[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000647037919 385175560 /nfs/dbraw/zinc/17/55/60/385175560.db2.gz HDMLODNHVYPCLT-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP COC[C@]1(CNC(=O)CC(C)(C)[NH3+])CCC[NH2+]1 ZINC000647042019 385178138 /nfs/dbraw/zinc/17/81/38/385178138.db2.gz FPCUHESGKQJZQW-GFCCVEGCSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@@]1(CNC(=O)CC(C)(C)[NH3+])CCC[NH2+]1 ZINC000647042020 385178858 /nfs/dbraw/zinc/17/88/58/385178858.db2.gz FPCUHESGKQJZQW-LBPRGKRZSA-N 2 0 243.351 -0.001 20 0 BBADRP COC[C@@]1(CNC(=O)[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000647042899 385178891 /nfs/dbraw/zinc/17/88/91/385178891.db2.gz VOZFAGQKNBSBFF-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP COC[C@]1(CNC(=O)[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000647042900 385178045 /nfs/dbraw/zinc/17/80/45/385178045.db2.gz VOZFAGQKNBSBFF-ZYHUDNBSSA-N 2 0 241.335 -0.377 20 0 BBADRP [NH3+]CCOCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000647046339 385183785 /nfs/dbraw/zinc/18/37/85/385183785.db2.gz YUPZAWCRFDXPNY-XYPYZODXSA-N 2 0 243.351 -0.157 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000647051243 385188174 /nfs/dbraw/zinc/18/81/74/385188174.db2.gz COBQEEBMIBUHRR-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000647051244 385187588 /nfs/dbraw/zinc/18/75/88/385187588.db2.gz COBQEEBMIBUHRR-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C)CCCC[NH3+] ZINC000647051380 385188367 /nfs/dbraw/zinc/18/83/67/385188367.db2.gz VXTUGKAJMPUTLK-NXEZZACHSA-N 2 0 231.340 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000647051381 385186149 /nfs/dbraw/zinc/18/61/49/385186149.db2.gz VXTUGKAJMPUTLK-UWVGGRQHSA-N 2 0 231.340 -0.016 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000647051382 385186617 /nfs/dbraw/zinc/18/66/17/385186617.db2.gz VXTUGKAJMPUTLK-VHSXEESVSA-N 2 0 231.340 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)CCCC[NH3+] ZINC000647051383 385187880 /nfs/dbraw/zinc/18/78/80/385187880.db2.gz VXTUGKAJMPUTLK-ZJUUUORDSA-N 2 0 231.340 -0.016 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647053139 385189587 /nfs/dbraw/zinc/18/95/87/385189587.db2.gz CEAKNGLNVDJALK-LADJIXMOSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647053140 385190313 /nfs/dbraw/zinc/19/03/13/385190313.db2.gz CEAKNGLNVDJALK-OGBGREFGSA-N 2 0 223.320 -0.292 20 0 BBADRP O=C(CC[C@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647053269 385189906 /nfs/dbraw/zinc/18/99/06/385189906.db2.gz PFHIAMMRIARXDV-SVDPJWKOSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647053270 385189593 /nfs/dbraw/zinc/18/95/93/385189593.db2.gz PFHIAMMRIARXDV-UXCLJVHYSA-N 2 0 223.320 -0.147 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647054071 385195239 /nfs/dbraw/zinc/19/52/39/385195239.db2.gz NHQLEUQLICULGV-YTWAJWBKSA-N 2 0 223.320 -0.195 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647054531 385192993 /nfs/dbraw/zinc/19/29/93/385192993.db2.gz MMMRBEWKFRBPDN-OBPIAQAESA-N 2 0 249.358 -0.044 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054953 385201474 /nfs/dbraw/zinc/20/14/74/385201474.db2.gz FDBFNPQAKXAJNW-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054954 385200327 /nfs/dbraw/zinc/20/03/27/385200327.db2.gz FDBFNPQAKXAJNW-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC000647055168 385195400 /nfs/dbraw/zinc/19/54/00/385195400.db2.gz NSXVYFKDPQTAMR-NXEZZACHSA-N 2 0 239.319 -0.767 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC000647055169 385195892 /nfs/dbraw/zinc/19/58/92/385195892.db2.gz NSXVYFKDPQTAMR-UWVGGRQHSA-N 2 0 239.319 -0.767 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC000647055170 385195603 /nfs/dbraw/zinc/19/56/03/385195603.db2.gz NSXVYFKDPQTAMR-VHSXEESVSA-N 2 0 239.319 -0.767 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC000647055171 385195383 /nfs/dbraw/zinc/19/53/83/385195383.db2.gz NSXVYFKDPQTAMR-ZJUUUORDSA-N 2 0 239.319 -0.767 20 0 BBADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000647055306 385195306 /nfs/dbraw/zinc/19/53/06/385195306.db2.gz UQHDOZVDCANDAK-MBTKJCJQSA-N 2 0 221.260 -0.314 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC1 ZINC000647057939 385200824 /nfs/dbraw/zinc/20/08/24/385200824.db2.gz COFXPVHEWDMRLO-YUMQZZPRSA-N 2 0 215.272 -0.316 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058007 385198205 /nfs/dbraw/zinc/19/82/05/385198205.db2.gz HUOZMNMBQPYCCI-AATLWQCWSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058008 385198383 /nfs/dbraw/zinc/19/83/83/385198383.db2.gz HUOZMNMBQPYCCI-KATARQTJSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058009 385197519 /nfs/dbraw/zinc/19/75/19/385197519.db2.gz HUOZMNMBQPYCCI-XFWSIPNHSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058010 385197481 /nfs/dbraw/zinc/19/74/81/385197481.db2.gz HUOZMNMBQPYCCI-XKNYDFJKSA-N 2 0 229.299 -0.199 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CCC1 ZINC000647058064 385198821 /nfs/dbraw/zinc/19/88/21/385198821.db2.gz LKGXWBASCCSJPB-GUBZILKMSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CCC1 ZINC000647058065 385197809 /nfs/dbraw/zinc/19/78/09/385197809.db2.gz LKGXWBASCCSJPB-LPEHRKFASA-N 2 0 229.299 -0.070 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058161 385204526 /nfs/dbraw/zinc/20/45/26/385204526.db2.gz QXIGJEWHLHHHQS-CIUDSAMLSA-N 2 0 233.287 -0.834 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058162 385202699 /nfs/dbraw/zinc/20/26/99/385202699.db2.gz QXIGJEWHLHHHQS-XHNCKOQMSA-N 2 0 233.287 -0.834 20 0 BBADRP C[NH+](C)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058164 385202464 /nfs/dbraw/zinc/20/24/64/385202464.db2.gz RAWQAPJNPASDGD-YUMQZZPRSA-N 2 0 203.261 -0.636 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000647058169 385203308 /nfs/dbraw/zinc/20/33/08/385203308.db2.gz RKBOLKYJMWAGBT-GMOBBJLQSA-N 2 0 241.310 -0.198 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000647058170 385204616 /nfs/dbraw/zinc/20/46/16/385204616.db2.gz RKBOLKYJMWAGBT-GUDRVLHUSA-N 2 0 241.310 -0.198 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000647058171 385204181 /nfs/dbraw/zinc/20/41/81/385204181.db2.gz RKBOLKYJMWAGBT-QFOLPQNPSA-N 2 0 241.310 -0.198 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000647058172 385204270 /nfs/dbraw/zinc/20/42/70/385204270.db2.gz RKBOLKYJMWAGBT-UXCLJVHYSA-N 2 0 241.310 -0.198 20 0 BBADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058184 385204449 /nfs/dbraw/zinc/20/44/49/385204449.db2.gz SEYFRXDCHLQKMT-ACZMJKKPSA-N 2 0 239.241 -0.215 20 0 BBADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058185 385202890 /nfs/dbraw/zinc/20/28/90/385202890.db2.gz SEYFRXDCHLQKMT-LYFYHCNISA-N 2 0 239.241 -0.215 20 0 BBADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058192 385204125 /nfs/dbraw/zinc/20/41/25/385204125.db2.gz UOKVUGXMNOMDIM-GUBZILKMSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058193 385204754 /nfs/dbraw/zinc/20/47/54/385204754.db2.gz UOKVUGXMNOMDIM-UTLUCORTSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC[NH2+]CC1 ZINC000647058365 385202517 /nfs/dbraw/zinc/20/25/17/385202517.db2.gz DGLPARLNAYYCKU-UWVGGRQHSA-N 2 0 229.299 -0.198 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)CCOC1C[NH2+]C1 ZINC000647068953 385214807 /nfs/dbraw/zinc/21/48/07/385214807.db2.gz AMXJYKDNZXFMFD-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)CCOC1C[NH2+]C1 ZINC000647068954 385215948 /nfs/dbraw/zinc/21/59/48/385215948.db2.gz AMXJYKDNZXFMFD-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(F)F ZINC000647071980 385219520 /nfs/dbraw/zinc/21/95/20/385219520.db2.gz AZUHLZLHKPAUCQ-BQBZGAKWSA-N 2 0 237.250 -0.927 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(F)F ZINC000647071981 385219201 /nfs/dbraw/zinc/21/92/01/385219201.db2.gz AZUHLZLHKPAUCQ-RQJHMYQMSA-N 2 0 237.250 -0.927 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647072002 385217304 /nfs/dbraw/zinc/21/73/04/385217304.db2.gz IMJMFZXOLGITQY-NTSWFWBYSA-N 2 0 209.240 -0.178 20 0 BBADRP CC[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647072003 385218134 /nfs/dbraw/zinc/21/81/34/385218134.db2.gz IMJMFZXOLGITQY-WDSKDSINSA-N 2 0 209.240 -0.178 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000647072008 385219494 /nfs/dbraw/zinc/21/94/94/385219494.db2.gz KROFRKRELPYCFZ-PHDIDXHHSA-N 2 0 209.240 -0.178 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647072009 385218571 /nfs/dbraw/zinc/21/85/71/385218571.db2.gz KROFRKRELPYCFZ-RITPCOANSA-N 2 0 209.240 -0.178 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000647073817 385232081 /nfs/dbraw/zinc/23/20/81/385232081.db2.gz IYYBMBJFTNUAAL-AXFHLTTASA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000647073818 385232171 /nfs/dbraw/zinc/23/21/71/385232171.db2.gz IYYBMBJFTNUAAL-DCAQKATOSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000647073819 385231133 /nfs/dbraw/zinc/23/11/33/385231133.db2.gz IYYBMBJFTNUAAL-MXWKQRLJSA-N 2 0 243.351 -0.016 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000647073820 385232351 /nfs/dbraw/zinc/23/23/51/385232351.db2.gz IYYBMBJFTNUAAL-VWYCJHECSA-N 2 0 243.351 -0.016 20 0 BBADRP O=C(C[NH2+]C1CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647075319 385229490 /nfs/dbraw/zinc/22/94/90/385229490.db2.gz MHFIDPJWWREZLJ-MRVPVSSYSA-N 2 0 233.262 -0.148 20 0 BBADRP O=C(C[NH2+]C1CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000647075320 385229148 /nfs/dbraw/zinc/22/91/48/385229148.db2.gz MHFIDPJWWREZLJ-QMMMGPOBSA-N 2 0 233.262 -0.148 20 0 BBADRP [NH3+]CCOCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000647077250 385232051 /nfs/dbraw/zinc/23/20/51/385232051.db2.gz CVGQSNSVBMINMI-JTQLQIEISA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+]CCOCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000647077251 385231104 /nfs/dbraw/zinc/23/11/04/385231104.db2.gz CVGQSNSVBMINMI-SNVBAGLBSA-N 2 0 229.324 -0.390 20 0 BBADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000647077285 385230913 /nfs/dbraw/zinc/23/09/13/385230913.db2.gz LVODDZNNGKJJRB-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000647077286 385231383 /nfs/dbraw/zinc/23/13/83/385231383.db2.gz LVODDZNNGKJJRB-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000647080715 385240184 /nfs/dbraw/zinc/24/01/84/385240184.db2.gz FMYSSCRTOBBWCO-GHMZBOCLSA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000647080716 385240165 /nfs/dbraw/zinc/24/01/65/385240165.db2.gz FMYSSCRTOBBWCO-MNOVXSKESA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000647080717 385240505 /nfs/dbraw/zinc/24/05/05/385240505.db2.gz FMYSSCRTOBBWCO-QWRGUYRKSA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000647080718 385241093 /nfs/dbraw/zinc/24/10/93/385241093.db2.gz FMYSSCRTOBBWCO-WDEREUQCSA-N 2 0 240.351 -0.852 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000647081240 385240452 /nfs/dbraw/zinc/24/04/52/385240452.db2.gz VUXIAJWYQNLSFN-UWVGGRQHSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000647081241 385240475 /nfs/dbraw/zinc/24/04/75/385240475.db2.gz VUXIAJWYQNLSFN-VHSXEESVSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)COCC[NH3+] ZINC000647081275 385241116 /nfs/dbraw/zinc/24/11/16/385241116.db2.gz ZPONJNKHSIJVBO-SECBINFHSA-N 2 0 229.324 -0.534 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)COCC[NH3+] ZINC000647081276 385241014 /nfs/dbraw/zinc/24/10/14/385241014.db2.gz ZPONJNKHSIJVBO-VIFPVBQESA-N 2 0 229.324 -0.534 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647081535 385241128 /nfs/dbraw/zinc/24/11/28/385241128.db2.gz STHCALBBDNKYKA-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647081536 385240176 /nfs/dbraw/zinc/24/01/76/385240176.db2.gz STHCALBBDNKYKA-MNOVXSKESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647081537 385240854 /nfs/dbraw/zinc/24/08/54/385240854.db2.gz STHCALBBDNKYKA-QWRGUYRKSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647081538 385240335 /nfs/dbraw/zinc/24/03/35/385240335.db2.gz STHCALBBDNKYKA-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082392 385243699 /nfs/dbraw/zinc/24/36/99/385243699.db2.gz GNLCRNOOUCJLTG-GUBZILKMSA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H](C)[NH3+] ZINC000647082393 385243149 /nfs/dbraw/zinc/24/31/49/385243149.db2.gz GNLCRNOOUCJLTG-KXUCPTDWSA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082394 385243880 /nfs/dbraw/zinc/24/38/80/385243880.db2.gz GNLCRNOOUCJLTG-LPEHRKFASA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H](C)[NH3+] ZINC000647082395 385244136 /nfs/dbraw/zinc/24/41/36/385244136.db2.gz GNLCRNOOUCJLTG-UTLUCORTSA-N 2 0 229.324 -0.536 20 0 BBADRP [NH3+]C1(CC(=O)NC[C@@H]2C[NH2+]CCCO2)CCC1 ZINC000647082419 385243571 /nfs/dbraw/zinc/24/35/71/385243571.db2.gz JKXPHUZUSCIUHG-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(CC(=O)NC[C@H]2C[NH2+]CCCO2)CCC1 ZINC000647082420 385243457 /nfs/dbraw/zinc/24/34/57/385243457.db2.gz JKXPHUZUSCIUHG-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082421 385242962 /nfs/dbraw/zinc/24/29/62/385242962.db2.gz JNQVKAFWUHXBFK-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082422 385243666 /nfs/dbraw/zinc/24/36/66/385243666.db2.gz JNQVKAFWUHXBFK-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082423 385243740 /nfs/dbraw/zinc/24/37/40/385243740.db2.gz JNQVKAFWUHXBFK-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082424 385243190 /nfs/dbraw/zinc/24/31/90/385243190.db2.gz JNQVKAFWUHXBFK-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)([NH3+])CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082523 385243438 /nfs/dbraw/zinc/24/34/38/385243438.db2.gz QXFNCYABJDIEAH-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)([NH3+])CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082524 385244393 /nfs/dbraw/zinc/24/43/93/385244393.db2.gz QXFNCYABJDIEAH-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082654 385244267 /nfs/dbraw/zinc/24/42/67/385244267.db2.gz UWUALKNDAOVELF-NXEZZACHSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082655 385244149 /nfs/dbraw/zinc/24/41/49/385244149.db2.gz UWUALKNDAOVELF-UWVGGRQHSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082656 385243746 /nfs/dbraw/zinc/24/37/46/385243746.db2.gz UWUALKNDAOVELF-VHSXEESVSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082657 385244123 /nfs/dbraw/zinc/24/41/23/385244123.db2.gz UWUALKNDAOVELF-ZJUUUORDSA-N 2 0 241.335 -0.521 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000647083298 385243578 /nfs/dbraw/zinc/24/35/78/385243578.db2.gz SFDIFMONRLUCMO-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000647083299 385242770 /nfs/dbraw/zinc/24/27/70/385242770.db2.gz SFDIFMONRLUCMO-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000647083830 385245770 /nfs/dbraw/zinc/24/57/70/385245770.db2.gz UYLGBZMDZWJXCU-LURJTMIESA-N 2 0 243.229 -0.642 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000647083831 385247097 /nfs/dbraw/zinc/24/70/97/385247097.db2.gz UYLGBZMDZWJXCU-ZCFIWIBFSA-N 2 0 243.229 -0.642 20 0 BBADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000647084008 385246418 /nfs/dbraw/zinc/24/64/18/385246418.db2.gz YSUSNLRZFNIJJY-BBBLOLIVSA-N 2 0 209.293 -0.584 20 0 BBADRP CC1(C)CN(C(=O)COCC[NH3+])CC[NH2+]1 ZINC000647084143 385245708 /nfs/dbraw/zinc/24/57/08/385245708.db2.gz RQIPIDBMSUKCRY-UHFFFAOYSA-N 2 0 215.297 -0.828 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000647084273 385246476 /nfs/dbraw/zinc/24/64/76/385246476.db2.gz AGIJJABCIUHUAB-JTQLQIEISA-N 2 0 229.324 -0.405 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000647084277 385246117 /nfs/dbraw/zinc/24/61/17/385246117.db2.gz AGIJJABCIUHUAB-SNVBAGLBSA-N 2 0 229.324 -0.405 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000647084395 385245377 /nfs/dbraw/zinc/24/53/77/385245377.db2.gz XEIYAKLMBLANLL-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000647084396 385245537 /nfs/dbraw/zinc/24/55/37/385245537.db2.gz XEIYAKLMBLANLL-QWRGUYRKSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@H]1[NH3+] ZINC000647085194 385248340 /nfs/dbraw/zinc/24/83/40/385248340.db2.gz USRPWUACEHNULS-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)C[C@H]1[NH3+] ZINC000647085195 385249301 /nfs/dbraw/zinc/24/93/01/385249301.db2.gz USRPWUACEHNULS-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)COCC[NH3+])[C@H](C[NH3+])C1CC1 ZINC000647085528 385249044 /nfs/dbraw/zinc/24/90/44/385249044.db2.gz MHXGFWBRSZXDOM-SECBINFHSA-N 2 0 215.297 -0.843 20 0 BBADRP CN(C(=O)COCC[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000647085529 385249135 /nfs/dbraw/zinc/24/91/35/385249135.db2.gz MHXGFWBRSZXDOM-VIFPVBQESA-N 2 0 215.297 -0.843 20 0 BBADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H](C[NH3+])C1CC1 ZINC000647085546 385249696 /nfs/dbraw/zinc/24/96/96/385249696.db2.gz PLJNKGQMACCXST-GHMZBOCLSA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H](C[NH3+])C1CC1 ZINC000647085547 385249793 /nfs/dbraw/zinc/24/97/93/385249793.db2.gz PLJNKGQMACCXST-MNOVXSKESA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H](C[NH3+])C1CC1 ZINC000647085548 385250256 /nfs/dbraw/zinc/25/02/56/385250256.db2.gz PLJNKGQMACCXST-QWRGUYRKSA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H](C[NH3+])C1CC1 ZINC000647085549 385249714 /nfs/dbraw/zinc/24/97/14/385249714.db2.gz PLJNKGQMACCXST-WDEREUQCSA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H](C[NH3+])C1CC1 ZINC000647085604 385249470 /nfs/dbraw/zinc/24/94/70/385249470.db2.gz ZKQRMCINRFWITB-UWVGGRQHSA-N 2 0 227.308 -0.830 20 0 BBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H](C[NH3+])C1CC1 ZINC000647085605 385249622 /nfs/dbraw/zinc/24/96/22/385249622.db2.gz ZKQRMCINRFWITB-ZJUUUORDSA-N 2 0 227.308 -0.830 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000647086010 385249671 /nfs/dbraw/zinc/24/96/71/385249671.db2.gz QXVINIOTPHOEGZ-YIZRAAEISA-N 2 0 215.297 -0.702 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086388 385249208 /nfs/dbraw/zinc/24/92/08/385249208.db2.gz AUYIOUNYXOGUFI-GXSJLCMTSA-N 2 0 229.324 -0.392 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086389 385248548 /nfs/dbraw/zinc/24/85/48/385248548.db2.gz AUYIOUNYXOGUFI-KOLCDFICSA-N 2 0 229.324 -0.392 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086390 385248902 /nfs/dbraw/zinc/24/89/02/385248902.db2.gz AUYIOUNYXOGUFI-MWLCHTKSSA-N 2 0 229.324 -0.392 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086391 385248174 /nfs/dbraw/zinc/24/81/74/385248174.db2.gz AUYIOUNYXOGUFI-ONGXEEELSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@]1(C)C[NH3+] ZINC000647086425 385248600 /nfs/dbraw/zinc/24/86/00/385248600.db2.gz KDODDDIWDCYSGL-JFGNBEQYSA-N 2 0 241.335 -0.582 20 0 BBADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCO1 ZINC000647086481 385249648 /nfs/dbraw/zinc/24/96/48/385249648.db2.gz QVWWSSWUFOINHH-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCO1 ZINC000647086482 385249314 /nfs/dbraw/zinc/24/93/14/385249314.db2.gz QVWWSSWUFOINHH-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@H]1CN(C(=O)COCC[NH3+])C[C@@]1(C)C[NH3+] ZINC000647086507 385249263 /nfs/dbraw/zinc/24/92/63/385249263.db2.gz WQIKIOVNNCUYGB-MWLCHTKSSA-N 2 0 229.324 -0.595 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086512 385249169 /nfs/dbraw/zinc/24/91/69/385249169.db2.gz ZKQMFFVBHSJPJI-NXEZZACHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086513 385248380 /nfs/dbraw/zinc/24/83/80/385248380.db2.gz ZKQMFFVBHSJPJI-VHSXEESVSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)([NH3+])CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086572 385248638 /nfs/dbraw/zinc/24/86/38/385248638.db2.gz GHWOEGKVDGREMD-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)([NH3+])CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086573 385248893 /nfs/dbraw/zinc/24/88/93/385248893.db2.gz GHWOEGKVDGREMD-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086594 385248274 /nfs/dbraw/zinc/24/82/74/385248274.db2.gz IFRUZWWIIZRDRN-JTQLQIEISA-N 2 0 229.324 -0.521 20 0 BBADRP CC(C)[NH2+]CCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086595 385249184 /nfs/dbraw/zinc/24/91/84/385249184.db2.gz IFRUZWWIIZRDRN-SNVBAGLBSA-N 2 0 229.324 -0.521 20 0 BBADRP [NH3+]C1(CC(=O)NC[C@H]2C[NH2+]CCO2)CCC1 ZINC000647086630 385252022 /nfs/dbraw/zinc/25/20/22/385252022.db2.gz NQYJZGYPLJMXKW-SECBINFHSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]C1(CC(=O)NC[C@@H]2C[NH2+]CCO2)CCC1 ZINC000647086631 385251463 /nfs/dbraw/zinc/25/14/63/385251463.db2.gz NQYJZGYPLJMXKW-VIFPVBQESA-N 2 0 227.308 -0.638 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086670 385251668 /nfs/dbraw/zinc/25/16/68/385251668.db2.gz VCEAQWVRELOLSA-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086671 385251218 /nfs/dbraw/zinc/25/12/18/385251218.db2.gz VCEAQWVRELOLSA-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086686 385251197 /nfs/dbraw/zinc/25/11/97/385251197.db2.gz WUXYOCRROJXVLW-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086687 385251451 /nfs/dbraw/zinc/25/14/51/385251451.db2.gz WUXYOCRROJXVLW-UWVGGRQHSA-N 2 0 229.324 -0.521 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000647086688 385251554 /nfs/dbraw/zinc/25/15/54/385251554.db2.gz WUXYOCRROJXVLW-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000647086689 385251384 /nfs/dbraw/zinc/25/13/84/385251384.db2.gz WUXYOCRROJXVLW-ZJUUUORDSA-N 2 0 229.324 -0.521 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000647086855 385251472 /nfs/dbraw/zinc/25/14/72/385251472.db2.gz OMWXCSXLCWLMPN-GHMZBOCLSA-N 2 0 243.351 -0.334 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000647086856 385251940 /nfs/dbraw/zinc/25/19/40/385251940.db2.gz OMWXCSXLCWLMPN-MNOVXSKESA-N 2 0 243.351 -0.334 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000647086857 385251541 /nfs/dbraw/zinc/25/15/41/385251541.db2.gz OMWXCSXLCWLMPN-QWRGUYRKSA-N 2 0 243.351 -0.334 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000647086858 385251979 /nfs/dbraw/zinc/25/19/79/385251979.db2.gz OMWXCSXLCWLMPN-WDEREUQCSA-N 2 0 243.351 -0.334 20 0 BBADRP C[C@@H]1CCN(C(=O)COCC[NH3+])C[C@H]1C[NH3+] ZINC000647086863 385251527 /nfs/dbraw/zinc/25/15/27/385251527.db2.gz PQNKKRVNDBIQLX-NXEZZACHSA-N 2 0 229.324 -0.595 20 0 BBADRP C[C@H]1CCN(C(=O)COCC[NH3+])C[C@@H]1C[NH3+] ZINC000647086864 385251870 /nfs/dbraw/zinc/25/18/70/385251870.db2.gz PQNKKRVNDBIQLX-UWVGGRQHSA-N 2 0 229.324 -0.595 20 0 BBADRP C[C@H]1CCN(C(=O)COCC[NH3+])C[C@H]1C[NH3+] ZINC000647086865 385251716 /nfs/dbraw/zinc/25/17/16/385251716.db2.gz PQNKKRVNDBIQLX-VHSXEESVSA-N 2 0 229.324 -0.595 20 0 BBADRP C[C@@H]1CCN(C(=O)COCC[NH3+])C[C@@H]1C[NH3+] ZINC000647086866 385252064 /nfs/dbraw/zinc/25/20/64/385252064.db2.gz PQNKKRVNDBIQLX-ZJUUUORDSA-N 2 0 229.324 -0.595 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000647086937 385251398 /nfs/dbraw/zinc/25/13/98/385251398.db2.gz YBCFQLNDPIKHMT-MXWKQRLJSA-N 2 0 241.335 -0.582 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000647086938 385251613 /nfs/dbraw/zinc/25/16/13/385251613.db2.gz YBCFQLNDPIKHMT-VWYCJHECSA-N 2 0 241.335 -0.582 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647088904 385253522 /nfs/dbraw/zinc/25/35/22/385253522.db2.gz ZZAMVYJSRCZTST-GHMZBOCLSA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647088905 385254159 /nfs/dbraw/zinc/25/41/59/385254159.db2.gz ZZAMVYJSRCZTST-WDEREUQCSA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647089338 385256800 /nfs/dbraw/zinc/25/68/00/385256800.db2.gz AFNHVMPTQTVDEF-LLVKDONJSA-N 2 0 243.351 -0.049 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647089339 385256900 /nfs/dbraw/zinc/25/69/00/385256900.db2.gz AFNHVMPTQTVDEF-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647089350 385256331 /nfs/dbraw/zinc/25/63/31/385256331.db2.gz DPDBZNXVBJLMIT-NXEZZACHSA-N 2 0 229.324 -0.454 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647089351 385257147 /nfs/dbraw/zinc/25/71/47/385257147.db2.gz DPDBZNXVBJLMIT-VHSXEESVSA-N 2 0 229.324 -0.454 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647089361 385256276 /nfs/dbraw/zinc/25/62/76/385256276.db2.gz FRSLNOSTVWVVQC-NXEZZACHSA-N 2 0 241.335 -0.439 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647089362 385255419 /nfs/dbraw/zinc/25/54/19/385255419.db2.gz FRSLNOSTVWVVQC-UWVGGRQHSA-N 2 0 241.335 -0.439 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647089363 385256509 /nfs/dbraw/zinc/25/65/09/385256509.db2.gz FRSLNOSTVWVVQC-VHSXEESVSA-N 2 0 241.335 -0.439 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647089364 385257528 /nfs/dbraw/zinc/25/75/28/385257528.db2.gz FRSLNOSTVWVVQC-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)CC2([NH3+])CCC2)CCCO1 ZINC000647089370 385257589 /nfs/dbraw/zinc/25/75/89/385257589.db2.gz HBJUMLQOGRZIDJ-JTQLQIEISA-N 2 0 241.335 -0.166 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CCCO1 ZINC000647089371 385255410 /nfs/dbraw/zinc/25/54/10/385255410.db2.gz HBJUMLQOGRZIDJ-SNVBAGLBSA-N 2 0 241.335 -0.166 20 0 BBADRP CC(C)([NH3+])CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647089380 385255935 /nfs/dbraw/zinc/25/59/35/385255935.db2.gz HVDKVKQNVDBJPR-SECBINFHSA-N 2 0 229.324 -0.310 20 0 BBADRP CC(C)([NH3+])CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647089381 385257841 /nfs/dbraw/zinc/25/78/41/385257841.db2.gz HVDKVKQNVDBJPR-VIFPVBQESA-N 2 0 229.324 -0.310 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000647094843 385268013 /nfs/dbraw/zinc/26/80/13/385268013.db2.gz TXADXUJSNQDRET-OPRDCNLKSA-N 2 0 229.324 -0.393 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647113538 384203064 /nfs/dbraw/zinc/20/30/64/384203064.db2.gz LCOFPHPPHQUZLP-XBLOIYCDSA-N 2 0 221.304 -0.870 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647113651 384203770 /nfs/dbraw/zinc/20/37/70/384203770.db2.gz VJUXKVDTNOFWTR-NZFPMDFQSA-N 2 0 221.304 -0.585 20 0 BBADRP CC1(OCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]C1 ZINC000647113710 384206333 /nfs/dbraw/zinc/20/63/33/384206333.db2.gz ZZFOQBAMNHQKRY-AOOOYVTPSA-N 2 0 239.319 -0.957 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C[C@]1(C)CC[NH2+]C1 ZINC000647492523 385299060 /nfs/dbraw/zinc/29/90/60/385299060.db2.gz HOIRJDULBIZCJL-CYBMUJFWSA-N 3 0 240.395 -0.177 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647492524 385300365 /nfs/dbraw/zinc/30/03/65/385300365.db2.gz HOIRJDULBIZCJL-ZDUSSCGKSA-N 3 0 240.395 -0.177 20 0 BBADRP C[N@H+](CCC[NH3+])CCN1CC[NH2+]CC1 ZINC000647492647 385303092 /nfs/dbraw/zinc/30/30/92/385303092.db2.gz PUGGZXHGUIJXTB-UHFFFAOYSA-N 3 0 200.330 -0.828 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)CC1(C[NH3+])CC1 ZINC000647492745 385300409 /nfs/dbraw/zinc/30/04/09/385300409.db2.gz WIWNLKQAMAYNAD-UHFFFAOYSA-N 3 0 226.368 -0.438 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCC[NH2+]C1 ZINC000647493067 385309533 /nfs/dbraw/zinc/30/95/33/385309533.db2.gz SMCFMQORLYEWHI-CYBMUJFWSA-N 3 0 240.395 -0.177 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCC[NH2+]C1 ZINC000647493068 385310010 /nfs/dbraw/zinc/31/00/10/385310010.db2.gz SMCFMQORLYEWHI-ZDUSSCGKSA-N 3 0 240.395 -0.177 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)CC1CC[NH2+]CC1 ZINC000647493254 385309586 /nfs/dbraw/zinc/30/95/86/385309586.db2.gz XOSFLUZPRRSBFY-UHFFFAOYSA-N 3 0 240.395 -0.177 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(N)nc1 ZINC000647493276 411875704 /nfs/dbraw/zinc/87/57/04/411875704.db2.gz YXAASXNZHXIHSB-UHFFFAOYSA-N 2 0 249.362 0.001 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(CC2(C[NH3+])CC2)CCO1 ZINC000647506421 384295458 /nfs/dbraw/zinc/29/54/58/384295458.db2.gz FQUMDQLGUDBLCD-NXEZZACHSA-N 2 0 213.325 -0.227 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(CC2(C[NH3+])CC2)CCO1 ZINC000647506422 384296180 /nfs/dbraw/zinc/29/61/80/384296180.db2.gz FQUMDQLGUDBLCD-UWVGGRQHSA-N 2 0 213.325 -0.227 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(CC2(C[NH3+])CC2)CCO1 ZINC000647506423 384294179 /nfs/dbraw/zinc/29/41/79/384294179.db2.gz FQUMDQLGUDBLCD-VHSXEESVSA-N 2 0 213.325 -0.227 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(CC2(C[NH3+])CC2)CCO1 ZINC000647506424 384295645 /nfs/dbraw/zinc/29/56/45/384295645.db2.gz FQUMDQLGUDBLCD-ZJUUUORDSA-N 2 0 213.325 -0.227 20 0 BBADRP C[C@@H](O)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000647529907 384610531 /nfs/dbraw/zinc/61/05/31/384610531.db2.gz UFGLBFPCUUVMQH-GHMZBOCLSA-N 2 0 216.325 -0.196 20 0 BBADRP C[C@@H](O)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000647529908 384610844 /nfs/dbraw/zinc/61/08/44/384610844.db2.gz UFGLBFPCUUVMQH-MNOVXSKESA-N 2 0 216.325 -0.196 20 0 BBADRP C[C@H](O)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000647529909 384611969 /nfs/dbraw/zinc/61/19/69/384611969.db2.gz UFGLBFPCUUVMQH-QWRGUYRKSA-N 2 0 216.325 -0.196 20 0 BBADRP C[C@H](O)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000647529910 384611322 /nfs/dbraw/zinc/61/13/22/384611322.db2.gz UFGLBFPCUUVMQH-WDEREUQCSA-N 2 0 216.325 -0.196 20 0 BBADRP Cc1c[nH]nc1CN1CCN(C)C[C@@H]1C[NH3+] ZINC000647539460 384679595 /nfs/dbraw/zinc/67/95/95/384679595.db2.gz CCOCJDNZIFZTPS-JTQLQIEISA-N 2 0 223.324 -0.207 20 0 BBADRP Cc1c[nH]nc1CN1CCN(C)C[C@H]1C[NH3+] ZINC000647539461 384679037 /nfs/dbraw/zinc/67/90/37/384679037.db2.gz CCOCJDNZIFZTPS-SNVBAGLBSA-N 2 0 223.324 -0.207 20 0 BBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1CCC[NH3+] ZINC000647539513 384679383 /nfs/dbraw/zinc/67/93/83/384679383.db2.gz KCDBSJYFEZLZSU-JTQLQIEISA-N 2 0 223.324 -0.285 20 0 BBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1CCC[NH3+] ZINC000647539514 384679903 /nfs/dbraw/zinc/67/99/03/384679903.db2.gz KCDBSJYFEZLZSU-SNVBAGLBSA-N 2 0 223.324 -0.285 20 0 BBADRP Cc1cc(CN2CCN(C)C[C@H]2C[NH3+])nn1C ZINC000647539570 384678661 /nfs/dbraw/zinc/67/86/61/384678661.db2.gz SEXUVQOXJZPVPT-GFCCVEGCSA-N 2 0 237.351 -0.197 20 0 BBADRP Cc1cc(CN2CCN(C)C[C@@H]2C[NH3+])nn1C ZINC000647539571 384678428 /nfs/dbraw/zinc/67/84/28/384678428.db2.gz SEXUVQOXJZPVPT-LBPRGKRZSA-N 2 0 237.351 -0.197 20 0 BBADRP CC(C)C[C@@H]([NH3+])CN1CCN(C)C[C@@H]1C[NH3+] ZINC000647539600 384680542 /nfs/dbraw/zinc/68/05/42/384680542.db2.gz VRHYPYQFLGIHBB-NEPJUHHUSA-N 3 0 228.384 -0.066 20 0 BBADRP CC(C)C[C@H]([NH3+])CN1CCN(C)C[C@H]1C[NH3+] ZINC000647539601 384680771 /nfs/dbraw/zinc/68/07/71/384680771.db2.gz VRHYPYQFLGIHBB-NWDGAFQWSA-N 3 0 228.384 -0.066 20 0 BBADRP CC(C)C[C@H]([NH3+])CN1CCN(C)C[C@@H]1C[NH3+] ZINC000647539602 384678502 /nfs/dbraw/zinc/67/85/02/384678502.db2.gz VRHYPYQFLGIHBB-RYUDHWBXSA-N 3 0 228.384 -0.066 20 0 BBADRP CC(C)C[C@@H]([NH3+])CN1CCN(C)C[C@H]1C[NH3+] ZINC000647539603 384681056 /nfs/dbraw/zinc/68/10/56/384681056.db2.gz VRHYPYQFLGIHBB-VXGBXAGGSA-N 3 0 228.384 -0.066 20 0 BBADRP CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1C[NH2+]C1 ZINC000647542024 384702738 /nfs/dbraw/zinc/70/27/38/384702738.db2.gz CHTFQRQHIFILSR-JTQLQIEISA-N 2 0 240.351 -0.913 20 0 BBADRP CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C1C[NH2+]C1 ZINC000647542025 384703716 /nfs/dbraw/zinc/70/37/16/384703716.db2.gz CHTFQRQHIFILSR-SNVBAGLBSA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@H]1C[NH2+]C[C@H](NCCCN2CC[NH2+]CC2)C1 ZINC000647546488 384730934 /nfs/dbraw/zinc/73/09/34/384730934.db2.gz MKMFGGMJEAGXFT-CHWSQXEVSA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@H]1C[NH2+]C[C@@H](NCCCN2CC[NH2+]CC2)C1 ZINC000647546489 384729666 /nfs/dbraw/zinc/72/96/66/384729666.db2.gz MKMFGGMJEAGXFT-OLZOCXBDSA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](NCCCN2CC[NH2+]CC2)C1 ZINC000647546490 384731721 /nfs/dbraw/zinc/73/17/21/384731721.db2.gz MKMFGGMJEAGXFT-QWHCGFSZSA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@@H]1C[NH2+]C[C@@H](NCCCN2CC[NH2+]CC2)C1 ZINC000647546491 384729433 /nfs/dbraw/zinc/72/94/33/384729433.db2.gz MKMFGGMJEAGXFT-STQMWFEESA-N 2 0 240.395 -0.131 20 0 BBADRP Nc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cn1 ZINC000647546535 411958487 /nfs/dbraw/zinc/95/84/87/411958487.db2.gz OEGHZMVNOSBUOI-UHFFFAOYSA-N 2 0 249.362 0.049 20 0 BBADRP Nc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cn1 ZINC000647546810 411958877 /nfs/dbraw/zinc/95/88/77/411958877.db2.gz CLDGJIUOTKVNIJ-UHFFFAOYSA-N 2 0 235.335 -0.341 20 0 BBADRP COCC[NH2+]CCN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000647546929 384732907 /nfs/dbraw/zinc/73/29/07/384732907.db2.gz HSHGYRJYVLHOLN-GHMZBOCLSA-N 2 0 215.341 -0.190 20 0 BBADRP COCC[NH2+]CCN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647546930 384733881 /nfs/dbraw/zinc/73/38/81/384733881.db2.gz HSHGYRJYVLHOLN-MNOVXSKESA-N 2 0 215.341 -0.190 20 0 BBADRP COCC[NH2+]CCN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546931 384732657 /nfs/dbraw/zinc/73/26/57/384732657.db2.gz HSHGYRJYVLHOLN-QWRGUYRKSA-N 2 0 215.341 -0.190 20 0 BBADRP COCC[NH2+]CCN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546932 384733047 /nfs/dbraw/zinc/73/30/47/384733047.db2.gz HSHGYRJYVLHOLN-WDEREUQCSA-N 2 0 215.341 -0.190 20 0 BBADRP COCC[NH2+]CCN[C@H]1CCC[NH2+]C1 ZINC000647547038 384736825 /nfs/dbraw/zinc/73/68/25/384736825.db2.gz LUOKRJKHIKNHKU-JTQLQIEISA-N 2 0 201.314 -0.436 20 0 BBADRP COCC[NH2+]CCN[C@@H]1CCC[NH2+]C1 ZINC000647547039 384735898 /nfs/dbraw/zinc/73/58/98/384735898.db2.gz LUOKRJKHIKNHKU-SNVBAGLBSA-N 2 0 201.314 -0.436 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC[C@@]1(C)CC[NH2+]C1 ZINC000647547102 384737537 /nfs/dbraw/zinc/73/75/37/384737537.db2.gz NWQUKPKBYYHVQX-NEPJUHHUSA-N 2 0 226.368 -0.521 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC[C@]1(C)CC[NH2+]C1 ZINC000647547103 384738096 /nfs/dbraw/zinc/73/80/96/384738096.db2.gz NWQUKPKBYYHVQX-NWDGAFQWSA-N 2 0 226.368 -0.521 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC[C@@]1(C)CC[NH2+]C1 ZINC000647547104 384737918 /nfs/dbraw/zinc/73/79/18/384737918.db2.gz NWQUKPKBYYHVQX-RYUDHWBXSA-N 2 0 226.368 -0.521 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC[C@]1(C)CC[NH2+]C1 ZINC000647547105 384735640 /nfs/dbraw/zinc/73/56/40/384735640.db2.gz NWQUKPKBYYHVQX-VXGBXAGGSA-N 2 0 226.368 -0.521 20 0 BBADRP C[C@H]1C[NH2+]C[C@@H](NCCN2CC[NH2+]CC2)C1 ZINC000647547405 384737698 /nfs/dbraw/zinc/73/76/98/384737698.db2.gz VKVKHJUYMUZCPT-NEPJUHHUSA-N 2 0 226.368 -0.521 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](NCCN2CC[NH2+]CC2)C1 ZINC000647547406 384736851 /nfs/dbraw/zinc/73/68/51/384736851.db2.gz VKVKHJUYMUZCPT-NWDGAFQWSA-N 2 0 226.368 -0.521 20 0 BBADRP C[C@@H]1C[NH2+]C[C@@H](NCCN2CC[NH2+]CC2)C1 ZINC000647547407 384736746 /nfs/dbraw/zinc/73/67/46/384736746.db2.gz VKVKHJUYMUZCPT-RYUDHWBXSA-N 2 0 226.368 -0.521 20 0 BBADRP C[C@H]1C[NH2+]C[C@H](NCCN2CC[NH2+]CC2)C1 ZINC000647547408 384737811 /nfs/dbraw/zinc/73/78/11/384737811.db2.gz VKVKHJUYMUZCPT-VXGBXAGGSA-N 2 0 226.368 -0.521 20 0 BBADRP COCC[NH2+]CCNCc1ccc(N)nc1 ZINC000647547539 411864005 /nfs/dbraw/zinc/86/40/05/411864005.db2.gz YLGWYSTVMVEOKM-UHFFFAOYSA-N 2 0 224.308 -0.011 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000647547570 384740942 /nfs/dbraw/zinc/74/09/42/384740942.db2.gz ZNGWLOMHINCXCR-NEPJUHHUSA-N 2 0 226.368 -0.521 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000647547571 384740714 /nfs/dbraw/zinc/74/07/14/384740714.db2.gz ZNGWLOMHINCXCR-NWDGAFQWSA-N 2 0 226.368 -0.521 20 0 BBADRP CN1CC[NH2+]C[C@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000647547572 384741240 /nfs/dbraw/zinc/74/12/40/384741240.db2.gz ZNGWLOMHINCXCR-RYUDHWBXSA-N 2 0 226.368 -0.521 20 0 BBADRP CN1CC[NH2+]C[C@@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000647547573 384739791 /nfs/dbraw/zinc/73/97/91/384739791.db2.gz ZNGWLOMHINCXCR-VXGBXAGGSA-N 2 0 226.368 -0.521 20 0 BBADRP C([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC[NH2+]CC1 ZINC000647547779 384749985 /nfs/dbraw/zinc/74/99/85/384749985.db2.gz DMMXYRGKKJPSSJ-GFCCVEGCSA-N 3 0 227.352 -0.046 20 0 BBADRP C([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC[NH2+]CC1 ZINC000647547780 384750970 /nfs/dbraw/zinc/75/09/70/384750970.db2.gz DMMXYRGKKJPSSJ-LBPRGKRZSA-N 3 0 227.352 -0.046 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000647547845 384750951 /nfs/dbraw/zinc/75/09/51/384750951.db2.gz IDKBIVRVTUSKKV-QJPTWQEYSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000647547846 384751129 /nfs/dbraw/zinc/75/11/29/384751129.db2.gz IDKBIVRVTUSKKV-SDDRHHMPSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000647547847 384751249 /nfs/dbraw/zinc/75/12/49/384751249.db2.gz IDKBIVRVTUSKKV-SRVKXCTJSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000647547848 384750776 /nfs/dbraw/zinc/75/07/76/384750776.db2.gz IDKBIVRVTUSKKV-TUAOUCFPSA-N 2 0 227.352 -0.048 20 0 BBADRP CC(C)([NH3+])CNC[C@H]1CCCN1S(C)(=O)=O ZINC000647549651 384747561 /nfs/dbraw/zinc/74/75/61/384747561.db2.gz LGEQIFINPOOLBK-SECBINFHSA-N 2 0 249.380 -0.263 20 0 BBADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CNCCO1 ZINC000647551879 384752937 /nfs/dbraw/zinc/75/29/37/384752937.db2.gz UMYIPQSTVASAKU-LOWDOPEQSA-N 2 0 239.363 -0.048 20 0 BBADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CNCCO1 ZINC000647551880 384753920 /nfs/dbraw/zinc/75/39/20/384753920.db2.gz UMYIPQSTVASAKU-LPWJVIDDSA-N 2 0 239.363 -0.048 20 0 BBADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CNCCO1 ZINC000647551881 384755010 /nfs/dbraw/zinc/75/50/10/384755010.db2.gz UMYIPQSTVASAKU-RVMXOQNASA-N 2 0 239.363 -0.048 20 0 BBADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CNCCO1 ZINC000647551882 384754249 /nfs/dbraw/zinc/75/42/49/384754249.db2.gz UMYIPQSTVASAKU-XQHKEYJVSA-N 2 0 239.363 -0.048 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2C[NH2+]CCO2)C1 ZINC000647551887 384754398 /nfs/dbraw/zinc/75/43/98/384754398.db2.gz UUBUHJIDLGVZBR-AXFHLTTASA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2C[NH2+]CCO2)C1 ZINC000647551888 384755062 /nfs/dbraw/zinc/75/50/62/384755062.db2.gz UUBUHJIDLGVZBR-DCAQKATOSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2C[NH2+]CCO2)C1 ZINC000647551889 384755102 /nfs/dbraw/zinc/75/51/02/384755102.db2.gz UUBUHJIDLGVZBR-GARJFASQSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](NC[C@H]2C[NH2+]CCO2)C1 ZINC000647551890 384753762 /nfs/dbraw/zinc/75/37/62/384753762.db2.gz UUBUHJIDLGVZBR-HBNTYKKESA-N 2 0 213.325 -0.438 20 0 BBADRP CC1(OCC(=O)N2CCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000647603415 384921288 /nfs/dbraw/zinc/92/12/88/384921288.db2.gz XWZZBHSJGYOZAX-SECBINFHSA-N 2 0 227.308 -0.685 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647605863 384932886 /nfs/dbraw/zinc/93/28/86/384932886.db2.gz CEKAKWJZYYLDAB-NNYUYHANSA-N 2 0 237.347 -0.090 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647605864 384931609 /nfs/dbraw/zinc/93/16/09/384931609.db2.gz CEKAKWJZYYLDAB-WYUUTHIRSA-N 2 0 237.347 -0.090 20 0 BBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC000647609136 384940534 /nfs/dbraw/zinc/94/05/34/384940534.db2.gz PEVYOBOZIXFVLW-MRVPVSSYSA-N 2 0 233.262 -0.337 20 0 BBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC000647609137 384938661 /nfs/dbraw/zinc/93/86/61/384938661.db2.gz PEVYOBOZIXFVLW-QMMMGPOBSA-N 2 0 233.262 -0.337 20 0 BBADRP C[C@@H]1[C@H](C(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000647609540 384939610 /nfs/dbraw/zinc/93/96/10/384939610.db2.gz LXIKCSIHMDNVDQ-NXEZZACHSA-N 2 0 211.309 -0.242 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000647611141 384951798 /nfs/dbraw/zinc/95/17/98/384951798.db2.gz JCBJQXAIVCNVGJ-HTQZYQBOSA-N 2 0 233.262 -0.209 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000647611142 384952528 /nfs/dbraw/zinc/95/25/28/384952528.db2.gz JCBJQXAIVCNVGJ-SFYZADRCSA-N 2 0 233.262 -0.209 20 0 BBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000647611863 384942740 /nfs/dbraw/zinc/94/27/40/384942740.db2.gz SHOAEPRMZNAVKD-OPRDCNLKSA-N 2 0 211.309 -0.114 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647613668 384955247 /nfs/dbraw/zinc/95/52/47/384955247.db2.gz FVBQAXXCCOLQTK-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647613669 384955689 /nfs/dbraw/zinc/95/56/89/384955689.db2.gz FVBQAXXCCOLQTK-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP C[NH+](C)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000647621980 384991253 /nfs/dbraw/zinc/99/12/53/384991253.db2.gz OEEBPWUZAHLAJQ-UHFFFAOYSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH+](C)CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000647624786 384998526 /nfs/dbraw/zinc/99/85/26/384998526.db2.gz MZPVAPHTDXFHNM-GFCCVEGCSA-N 2 0 243.351 -0.537 20 0 BBADRP C[NH+](C)CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000647624787 385000194 /nfs/dbraw/zinc/00/01/94/385000194.db2.gz MZPVAPHTDXFHNM-LBPRGKRZSA-N 2 0 243.351 -0.537 20 0 BBADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C[NH3+] ZINC000647632217 385005189 /nfs/dbraw/zinc/00/51/89/385005189.db2.gz OGNPOGLKGVWVPG-SECBINFHSA-N 2 0 223.276 -0.230 20 0 BBADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)C[NH3+] ZINC000647632218 385005822 /nfs/dbraw/zinc/00/58/22/385005822.db2.gz OGNPOGLKGVWVPG-VIFPVBQESA-N 2 0 223.276 -0.230 20 0 BBADRP COC1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000647638821 385050721 /nfs/dbraw/zinc/05/07/21/385050721.db2.gz ABEQESYAYXSCNZ-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(OCC(=O)N2CCC(C[NH3+])CC2)C[NH2+]C1 ZINC000647638875 385051655 /nfs/dbraw/zinc/05/16/55/385051655.db2.gz QKEAVJSVIWXNBE-UHFFFAOYSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CC1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000647638881 385051728 /nfs/dbraw/zinc/05/17/28/385051728.db2.gz QSPJXENHDVPCEP-URLYPYJESA-N 2 0 223.320 -0.351 20 0 BBADRP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000647638888 385051724 /nfs/dbraw/zinc/05/17/24/385051724.db2.gz VPNNAJGJKULVIW-MXWKQRLJSA-N 2 0 223.320 -0.066 20 0 BBADRP CC1(OCC(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC000647640675 385068828 /nfs/dbraw/zinc/06/88/28/385068828.db2.gz YDNWWNFFUORERK-SECBINFHSA-N 2 0 227.308 -0.767 20 0 BBADRP CC1(OCC(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC000647640676 385070352 /nfs/dbraw/zinc/07/03/52/385070352.db2.gz YDNWWNFFUORERK-VIFPVBQESA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647642494 385114939 /nfs/dbraw/zinc/11/49/39/385114939.db2.gz LXOSMLIACHYXJK-URLYPYJESA-N 2 0 223.320 -0.432 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647642554 385120722 /nfs/dbraw/zinc/12/07/22/385120722.db2.gz WCEMVAZYDOWSSE-MXWKQRLJSA-N 2 0 223.320 -0.147 20 0 BBADRP CC1(OCC(=O)NCC2CC[NH2+]CC2)C[NH2+]C1 ZINC000647642557 385119551 /nfs/dbraw/zinc/11/95/51/385119551.db2.gz WNDUEMCQZCBVOU-UHFFFAOYSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CCOCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647642851 385127675 /nfs/dbraw/zinc/12/76/75/385127675.db2.gz QAKWJJFHDDQXRV-UHFFFAOYSA-N 2 0 241.335 -0.295 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643449 385141458 /nfs/dbraw/zinc/14/14/58/385141458.db2.gz AWGWGXHMRGRSCD-NSHDSACASA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647646958 385222012 /nfs/dbraw/zinc/22/20/12/385222012.db2.gz WHYVPRYSCKIGMC-MRVPVSSYSA-N 2 0 235.278 -0.043 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647646959 385222297 /nfs/dbraw/zinc/22/22/97/385222297.db2.gz WHYVPRYSCKIGMC-QMMMGPOBSA-N 2 0 235.278 -0.043 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)COCC[NH3+] ZINC000647648760 385251164 /nfs/dbraw/zinc/25/11/64/385251164.db2.gz AFBAXUZZAMUPTC-NXEZZACHSA-N 2 0 229.324 -0.310 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)COCC[NH3+] ZINC000647648761 385250200 /nfs/dbraw/zinc/25/02/00/385250200.db2.gz AFBAXUZZAMUPTC-UWVGGRQHSA-N 2 0 229.324 -0.310 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)COCC[NH3+] ZINC000647648762 385251100 /nfs/dbraw/zinc/25/11/00/385251100.db2.gz AFBAXUZZAMUPTC-VHSXEESVSA-N 2 0 229.324 -0.310 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)COCC[NH3+] ZINC000647648763 385249922 /nfs/dbraw/zinc/24/99/22/385249922.db2.gz AFBAXUZZAMUPTC-ZJUUUORDSA-N 2 0 229.324 -0.310 20 0 BBADRP CC[NH2+]CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000647669271 385520031 /nfs/dbraw/zinc/52/00/31/385520031.db2.gz NGRKGWKCYLTIIF-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC000647673371 384765587 /nfs/dbraw/zinc/76/55/87/384765587.db2.gz JVBNWZUMQADQOX-URLYPYJESA-N 2 0 223.320 -0.338 20 0 BBADRP CN(C(=O)COC1(C)C[NH2+]C1)C1CC[NH2+]CC1 ZINC000647673442 384787336 /nfs/dbraw/zinc/78/73/36/384787336.db2.gz LHYYNOXOAIWAKJ-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP CC(C)([NH3+])CCC(=O)NCCN1CC[NH2+]CC1 ZINC000647677120 385343344 /nfs/dbraw/zinc/34/33/44/385343344.db2.gz DKBVOCLAZMLRNW-UHFFFAOYSA-N 2 0 242.367 -0.475 20 0 BBADRP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000647678022 385384100 /nfs/dbraw/zinc/38/41/00/385384100.db2.gz NLLCSKBJWKUICN-LLVKDONJSA-N 2 0 240.351 -0.946 20 0 BBADRP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647678023 385383454 /nfs/dbraw/zinc/38/34/54/385383454.db2.gz NLLCSKBJWKUICN-NSHDSACASA-N 2 0 240.351 -0.946 20 0 BBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000647680497 385671742 /nfs/dbraw/zinc/67/17/42/385671742.db2.gz DWZUKVODTDLKKH-KXUCPTDWSA-N 2 0 211.309 -0.195 20 0 BBADRP [NH3+]CCc1nc(C(=O)N[C@H]2CC[NH2+]C2)cs1 ZINC000647680578 385676597 /nfs/dbraw/zinc/67/65/97/385676597.db2.gz HXUSWSRMEDGSEY-ZETCQYMHSA-N 2 0 240.332 -0.264 20 0 BBADRP C[NH+](C)CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000647697251 490123927 /nfs/dbraw/zinc/12/39/27/490123927.db2.gz HUKFPZDIFRLVTO-GFCCVEGCSA-N 2 0 241.335 -0.879 20 0 BBADRP C[NH+](C)CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000647697252 490123989 /nfs/dbraw/zinc/12/39/89/490123989.db2.gz HUKFPZDIFRLVTO-LBPRGKRZSA-N 2 0 241.335 -0.879 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647697360 487795685 /nfs/dbraw/zinc/79/56/85/487795685.db2.gz DNMXFHKLAYACIC-DBIOUOCHSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647697361 487795512 /nfs/dbraw/zinc/79/55/12/487795512.db2.gz DNMXFHKLAYACIC-ZDCRXTMVSA-N 2 0 223.320 -0.147 20 0 BBADRP CC1(OCC(=O)NC[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC000647697481 411128548 /nfs/dbraw/zinc/12/85/48/411128548.db2.gz MFRDCNPUCSLVCC-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP CC1(OCC(=O)NC[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC000647697482 411128397 /nfs/dbraw/zinc/12/83/97/411128397.db2.gz MFRDCNPUCSLVCC-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647697637 397930044 /nfs/dbraw/zinc/93/00/44/397930044.db2.gz YFYIASOUGRTSAQ-UKKRHICBSA-N 2 0 223.320 -0.432 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647697638 397930709 /nfs/dbraw/zinc/93/07/09/397930709.db2.gz YFYIASOUGRTSAQ-ZNSHCXBVSA-N 2 0 223.320 -0.432 20 0 BBADRP Nc1nc(N[C@H]2CC[NH2+]C2)c2c([nH+]1)CCCC2 ZINC000647703795 411979183 /nfs/dbraw/zinc/97/91/83/411979183.db2.gz BAKXQXBAUWAGOV-QMMMGPOBSA-N 2 0 233.319 0.133 20 0 BBADRP CC1(OCC(=O)NC[C@@H]2CCCC[NH2+]2)C[NH2+]C1 ZINC000647704682 397954038 /nfs/dbraw/zinc/95/40/38/397954038.db2.gz FJZKPZWBXAVWPF-JTQLQIEISA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(OCC(=O)NC[C@H]2CCCC[NH2+]2)C[NH2+]C1 ZINC000647704683 397954060 /nfs/dbraw/zinc/95/40/60/397954060.db2.gz FJZKPZWBXAVWPF-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP Nc1nc(NC2C[NH2+]C2)c2c([nH+]1)CCCC2 ZINC000647705124 411979637 /nfs/dbraw/zinc/97/96/37/411979637.db2.gz ZDDDPMDXOULZER-UHFFFAOYSA-N 2 0 219.292 -0.257 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647705592 385580700 /nfs/dbraw/zinc/58/07/00/385580700.db2.gz BSGPVYPGJIVPJT-UKKRHICBSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647705593 385580490 /nfs/dbraw/zinc/58/04/90/385580490.db2.gz BSGPVYPGJIVPJT-ZNSHCXBVSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647705603 385580636 /nfs/dbraw/zinc/58/06/36/385580636.db2.gz CJNMEJAAHQDPSW-DBIOUOCHSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647705604 385580363 /nfs/dbraw/zinc/58/03/63/385580363.db2.gz CJNMEJAAHQDPSW-YTWAJWBKSA-N 2 0 223.320 -0.005 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000647705748 385580712 /nfs/dbraw/zinc/58/07/12/385580712.db2.gz LEAPPVRJTHEMIP-AEJSXWLSSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000647705749 385580546 /nfs/dbraw/zinc/58/05/46/385580546.db2.gz LEAPPVRJTHEMIP-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]([NH3+])CNc1nc(N)[nH+]c2c1CCCC2 ZINC000647707571 411246745 /nfs/dbraw/zinc/24/67/45/411246745.db2.gz ZCTBWITYUHAAFK-SSDOTTSWSA-N 2 0 221.308 0.119 20 0 BBADRP C[C@H]([NH3+])CNc1nc(N)[nH+]c2c1CCCC2 ZINC000647707572 411266910 /nfs/dbraw/zinc/26/69/10/411266910.db2.gz ZCTBWITYUHAAFK-ZETCQYMHSA-N 2 0 221.308 0.119 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647708649 385594795 /nfs/dbraw/zinc/59/47/95/385594795.db2.gz UTIIAUDUOYBEER-UKKRHICBSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647708650 385594582 /nfs/dbraw/zinc/59/45/82/385594582.db2.gz UTIIAUDUOYBEER-ZNSHCXBVSA-N 2 0 223.320 -0.208 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000647711419 385610843 /nfs/dbraw/zinc/61/08/43/385610843.db2.gz OHNSJDYPGBAKIE-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000647711420 385613789 /nfs/dbraw/zinc/61/37/89/385613789.db2.gz OHNSJDYPGBAKIE-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000647724470 385659466 /nfs/dbraw/zinc/65/94/66/385659466.db2.gz PTELYYHLURMVET-JCIQBVFBSA-N 2 0 237.347 -0.044 20 0 BBADRP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000647724471 385658764 /nfs/dbraw/zinc/65/87/64/385658764.db2.gz PTELYYHLURMVET-KKJSVHSVSA-N 2 0 237.347 -0.044 20 0 BBADRP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000647724472 385658975 /nfs/dbraw/zinc/65/89/75/385658975.db2.gz PTELYYHLURMVET-LVEVGFFFSA-N 2 0 237.347 -0.044 20 0 BBADRP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000647724473 385659369 /nfs/dbraw/zinc/65/93/69/385659369.db2.gz PTELYYHLURMVET-RNWYCLNJSA-N 2 0 237.347 -0.044 20 0 BBADRP [NH3+]C1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000647726807 385680517 /nfs/dbraw/zinc/68/05/17/385680517.db2.gz PQFMSYWLDAXDAD-AUYFUSPOSA-N 2 0 223.320 -0.162 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000647730690 385839437 /nfs/dbraw/zinc/83/94/37/385839437.db2.gz JCBJQXAIVCNVGJ-JGVFFNPUSA-N 2 0 233.262 -0.209 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000647730691 385840286 /nfs/dbraw/zinc/84/02/86/385840286.db2.gz JCBJQXAIVCNVGJ-YUMQZZPRSA-N 2 0 233.262 -0.209 20 0 BBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000647731607 385852960 /nfs/dbraw/zinc/85/29/60/385852960.db2.gz SHOAEPRMZNAVKD-KXUCPTDWSA-N 2 0 211.309 -0.114 20 0 BBADRP CC1(OCC(=O)N2CC[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000647732569 385863596 /nfs/dbraw/zinc/86/35/96/385863596.db2.gz MRRONDHRLDBDRV-SECBINFHSA-N 2 0 227.308 -0.828 20 0 BBADRP CC1(OCC(=O)N2CC[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000647732570 385863681 /nfs/dbraw/zinc/86/36/81/385863681.db2.gz MRRONDHRLDBDRV-VIFPVBQESA-N 2 0 227.308 -0.828 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647733958 385870842 /nfs/dbraw/zinc/87/08/42/385870842.db2.gz KXKGIIZAITZOOE-UKKRHICBSA-N 2 0 223.320 -0.338 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647733959 385870837 /nfs/dbraw/zinc/87/08/37/385870837.db2.gz KXKGIIZAITZOOE-ZNSHCXBVSA-N 2 0 223.320 -0.338 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647734211 398093235 /nfs/dbraw/zinc/09/32/35/398093235.db2.gz YNGCNVBUBQDIKH-DBIOUOCHSA-N 2 0 223.320 -0.053 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647734212 398093458 /nfs/dbraw/zinc/09/34/58/398093458.db2.gz YNGCNVBUBQDIKH-YTWAJWBKSA-N 2 0 223.320 -0.053 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000647734648 385872234 /nfs/dbraw/zinc/87/22/34/385872234.db2.gz ARUXNTRGAMIESP-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000647734649 385872499 /nfs/dbraw/zinc/87/24/99/385872499.db2.gz ARUXNTRGAMIESP-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]CCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000647742828 385942891 /nfs/dbraw/zinc/94/28/91/385942891.db2.gz NPTYRZVMRXYWCS-UHFFFAOYSA-N 2 0 233.315 -0.182 20 0 BBADRP CC[NH2+]CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000647745591 385970565 /nfs/dbraw/zinc/97/05/65/385970565.db2.gz IYUHGBOZTKMZMS-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647747642 385978958 /nfs/dbraw/zinc/97/89/58/385978958.db2.gz TULLKOJWKVKGIG-MRVPVSSYSA-N 2 0 235.278 -0.043 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647747643 385977994 /nfs/dbraw/zinc/97/79/94/385977994.db2.gz TULLKOJWKVKGIG-QMMMGPOBSA-N 2 0 235.278 -0.043 20 0 BBADRP COC1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000647752544 386092069 /nfs/dbraw/zinc/09/20/69/386092069.db2.gz XHZUSLCXOHIZOE-JTQLQIEISA-N 2 0 241.335 -0.377 20 0 BBADRP COC1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000647752545 386092147 /nfs/dbraw/zinc/09/21/47/386092147.db2.gz XHZUSLCXOHIZOE-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(OCC(=O)NC[C@H]2CCC[NH2+]2)C[NH2+]C1 ZINC000647754564 386111763 /nfs/dbraw/zinc/11/17/63/386111763.db2.gz QUJLTCLYUABBKG-SECBINFHSA-N 2 0 227.308 -0.767 20 0 BBADRP CC1(OCC(=O)NC[C@@H]2CCC[NH2+]2)C[NH2+]C1 ZINC000647754565 386111982 /nfs/dbraw/zinc/11/19/82/386111982.db2.gz QUJLTCLYUABBKG-VIFPVBQESA-N 2 0 227.308 -0.767 20 0 BBADRP COC1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]CC1 ZINC000647754849 386130584 /nfs/dbraw/zinc/13/05/84/386130584.db2.gz JAVZACCCEPEEMV-UHFFFAOYSA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(OCC(=O)NCC[NH2+]C2CC2)C[NH2+]C1 ZINC000647755737 386156744 /nfs/dbraw/zinc/15/67/44/386156744.db2.gz DFMMGQIXZVKJQJ-UHFFFAOYSA-N 2 0 227.308 -0.767 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647760052 386457710 /nfs/dbraw/zinc/45/77/10/386457710.db2.gz SNUVNKRPTHOSMM-QWRGUYRKSA-N 2 0 243.351 -0.540 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647761779 385760063 /nfs/dbraw/zinc/76/00/63/385760063.db2.gz USNNHZYXCWWYID-URLYPYJESA-N 2 0 225.336 -0.044 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000647761834 385761064 /nfs/dbraw/zinc/76/10/64/385761064.db2.gz XSWWQFPWCMHNMW-UHFFFAOYSA-N 2 0 243.351 -0.131 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647768831 385990360 /nfs/dbraw/zinc/99/03/60/385990360.db2.gz ALAVRBUGEFQLDL-DBIOUOCHSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647768832 385991377 /nfs/dbraw/zinc/99/13/77/385991377.db2.gz ALAVRBUGEFQLDL-ZDCRXTMVSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647769207 386005073 /nfs/dbraw/zinc/00/50/73/386005073.db2.gz OJYKNEXBCQWKOU-UKKRHICBSA-N 2 0 223.320 -0.432 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647769208 386005539 /nfs/dbraw/zinc/00/55/39/386005539.db2.gz OJYKNEXBCQWKOU-ZNSHCXBVSA-N 2 0 223.320 -0.432 20 0 BBADRP CC1(OCC(=O)NCC[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC000647769345 386016988 /nfs/dbraw/zinc/01/69/88/386016988.db2.gz SXXSOGIIOPNQMJ-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP CC1(OCC(=O)NCC[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC000647769346 386016894 /nfs/dbraw/zinc/01/68/94/386016894.db2.gz SXXSOGIIOPNQMJ-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769669 386096547 /nfs/dbraw/zinc/09/65/47/386096547.db2.gz DSSYNBBFJJEBTO-LLVKDONJSA-N 2 0 242.367 -0.795 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769670 386097267 /nfs/dbraw/zinc/09/72/67/386097267.db2.gz DSSYNBBFJJEBTO-NSHDSACASA-N 2 0 242.367 -0.795 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769686 386096394 /nfs/dbraw/zinc/09/63/94/386096394.db2.gz FHQVSBMSUPMBLJ-LLVKDONJSA-N 2 0 242.367 -0.667 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647769687 386097481 /nfs/dbraw/zinc/09/74/81/386097481.db2.gz FHQVSBMSUPMBLJ-NSHDSACASA-N 2 0 242.367 -0.667 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000647769753 386099736 /nfs/dbraw/zinc/09/97/36/386099736.db2.gz IHARQSVAQUSWLY-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000647769754 386099103 /nfs/dbraw/zinc/09/91/03/386099103.db2.gz IHARQSVAQUSWLY-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC(C)(C)[NH3+] ZINC000647769822 386103434 /nfs/dbraw/zinc/10/34/34/386103434.db2.gz LCAZRGRQMDPLDG-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)C(C)(C)[NH3+] ZINC000647769983 386120617 /nfs/dbraw/zinc/12/06/17/386120617.db2.gz SBEVGVSTSKMFKT-UHFFFAOYSA-N 2 0 228.340 -0.913 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)CCC[NH3+] ZINC000647770031 386118625 /nfs/dbraw/zinc/11/86/25/386118625.db2.gz UPCCXFNJARHWSK-UHFFFAOYSA-N 2 0 228.340 -0.911 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)C(C)(C)C[NH3+] ZINC000647770036 386120223 /nfs/dbraw/zinc/12/02/23/386120223.db2.gz URGGVICMCNWXPJ-UHFFFAOYSA-N 2 0 242.367 -0.665 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770060 386119328 /nfs/dbraw/zinc/11/93/28/386119328.db2.gz VGVMXEGLDPLMAO-SNVBAGLBSA-N 2 0 228.340 -0.913 20 0 BBADRP CC[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770067 386127999 /nfs/dbraw/zinc/12/79/99/386127999.db2.gz VOEAFEBISMHVJG-JTQLQIEISA-N 2 0 228.340 -0.913 20 0 BBADRP C[NH2+]CCCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770072 386127822 /nfs/dbraw/zinc/12/78/22/386127822.db2.gz VWRGKRZBQGSIFL-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)CCCC[NH3+] ZINC000647777175 386561340 /nfs/dbraw/zinc/56/13/40/386561340.db2.gz CLONHJKWOUPNSK-UHFFFAOYSA-N 2 0 242.367 -0.521 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)C[NH2+]C1CC1 ZINC000647777226 386563178 /nfs/dbraw/zinc/56/31/78/386563178.db2.gz GCJVZPURUWPJME-UHFFFAOYSA-N 2 0 240.351 -0.898 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777371 386563997 /nfs/dbraw/zinc/56/39/97/386563997.db2.gz MYBREMCBAVKNGL-GHMZBOCLSA-N 2 0 242.367 -0.667 20 0 BBADRP C[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000647777372 386563009 /nfs/dbraw/zinc/56/30/09/386563009.db2.gz MYBREMCBAVKNGL-MNOVXSKESA-N 2 0 242.367 -0.667 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777373 386563596 /nfs/dbraw/zinc/56/35/96/386563596.db2.gz MYBREMCBAVKNGL-QWRGUYRKSA-N 2 0 242.367 -0.667 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777374 386562703 /nfs/dbraw/zinc/56/27/03/386562703.db2.gz MYBREMCBAVKNGL-WDEREUQCSA-N 2 0 242.367 -0.667 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777449 386564353 /nfs/dbraw/zinc/56/43/53/386564353.db2.gz RAYFBKWFUBKRFK-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777450 386563748 /nfs/dbraw/zinc/56/37/48/386563748.db2.gz RAYFBKWFUBKRFK-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)C1([NH3+])CCC1 ZINC000647777456 386564131 /nfs/dbraw/zinc/56/41/31/386564131.db2.gz ROWOMBXTVWVBSC-UHFFFAOYSA-N 2 0 240.351 -0.769 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777659 386563405 /nfs/dbraw/zinc/56/34/05/386563405.db2.gz VOEAFEBISMHVJG-SNVBAGLBSA-N 2 0 228.340 -0.913 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647778986 386575594 /nfs/dbraw/zinc/57/55/94/386575594.db2.gz KKBRMMJXWKVVKW-PHIMTYICSA-N 2 0 240.351 -0.913 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647779531 386580017 /nfs/dbraw/zinc/58/00/17/386580017.db2.gz TYKITOZXKULDTJ-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+]C[C@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000647779532 386580633 /nfs/dbraw/zinc/58/06/33/386580633.db2.gz TYKITOZXKULDTJ-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP C[NH2+]CC1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000647780144 398189157 /nfs/dbraw/zinc/18/91/57/398189157.db2.gz FOGCWUOURVBVCZ-GDNZZTSVSA-N 2 0 237.347 -0.090 20 0 BBADRP CN(C(=O)c1c[nH+]ccc1N)[C@@H]1CC[NH2+]C1 ZINC000647789929 385625644 /nfs/dbraw/zinc/62/56/44/385625644.db2.gz NZOJIWWHEATNGE-MRVPVSSYSA-N 2 0 220.276 -0.072 20 0 BBADRP CN(C(=O)c1c[nH+]ccc1N)[C@H]1CC[NH2+]C1 ZINC000647789930 385626903 /nfs/dbraw/zinc/62/69/03/385626903.db2.gz NZOJIWWHEATNGE-QMMMGPOBSA-N 2 0 220.276 -0.072 20 0 BBADRP CN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000647790381 385633403 /nfs/dbraw/zinc/63/34/03/385633403.db2.gz XHENPXAYOHXGAN-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000647790382 385635095 /nfs/dbraw/zinc/63/50/95/385635095.db2.gz XHENPXAYOHXGAN-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP CN(C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647792952 385698026 /nfs/dbraw/zinc/69/80/26/385698026.db2.gz GJUFILSSZDFPIB-FDYHWXHSSA-N 2 0 241.379 -0.113 20 0 BBADRP CN(C)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647792953 385698496 /nfs/dbraw/zinc/69/84/96/385698496.db2.gz GJUFILSSZDFPIB-UMSGYPCISA-N 2 0 241.379 -0.113 20 0 BBADRP CN(C)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647792954 385698810 /nfs/dbraw/zinc/69/88/10/385698810.db2.gz GJUFILSSZDFPIB-WUHRBBMRSA-N 2 0 241.379 -0.113 20 0 BBADRP CN(C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647792955 385697931 /nfs/dbraw/zinc/69/79/31/385697931.db2.gz GJUFILSSZDFPIB-YVECIDJPSA-N 2 0 241.379 -0.113 20 0 BBADRP C[NH2+]C1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000647796768 398201562 /nfs/dbraw/zinc/20/15/62/398201562.db2.gz MYVVIMFDWIZUDY-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)[NH2+]1 ZINC000647805280 385842987 /nfs/dbraw/zinc/84/29/87/385842987.db2.gz KLGJIMMLUJGTNA-APLZJWDSSA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)[NH2+]1 ZINC000647805281 385844575 /nfs/dbraw/zinc/84/45/75/385844575.db2.gz KLGJIMMLUJGTNA-LADJIXMOSA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)[NH2+]1 ZINC000647805282 385843743 /nfs/dbraw/zinc/84/37/43/385843743.db2.gz KLGJIMMLUJGTNA-XBLOIYCDSA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000647805326 385843916 /nfs/dbraw/zinc/84/39/16/385843916.db2.gz RIMNLCYIBSJBLO-AOOOYVTPSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000647805327 385843558 /nfs/dbraw/zinc/84/35/58/385843558.db2.gz RIMNLCYIBSJBLO-NXEZZACHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000647805328 385843786 /nfs/dbraw/zinc/84/37/86/385843786.db2.gz RIMNLCYIBSJBLO-UWVGGRQHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H](C)[NH2+]1 ZINC000647805363 385843761 /nfs/dbraw/zinc/84/37/61/385843761.db2.gz VRTXWDRICHVUDM-DAWVFNFOSA-N 2 0 223.320 -0.054 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000647805366 385843872 /nfs/dbraw/zinc/84/38/72/385843872.db2.gz VRTXWDRICHVUDM-ILAIQSSSSA-N 2 0 223.320 -0.054 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H](C)[NH2+]1 ZINC000647805367 385843080 /nfs/dbraw/zinc/84/30/80/385843080.db2.gz VRTXWDRICHVUDM-QGKZMRNZSA-N 2 0 223.320 -0.054 20 0 BBADRP CC1(OCC(=O)NC2(C[NH3+])CCCC2)C[NH2+]C1 ZINC000647805668 385844533 /nfs/dbraw/zinc/84/45/33/385844533.db2.gz AVXNRUXQSCGRDT-UHFFFAOYSA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]CC1(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCCC1 ZINC000647805712 385843240 /nfs/dbraw/zinc/84/32/40/385843240.db2.gz WJOITXUBLSLVAJ-MYJAWHEDSA-N 2 0 223.320 -0.161 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000647806879 385849089 /nfs/dbraw/zinc/84/90/89/385849089.db2.gz JCZQBSWXZYADJN-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@](C[NH3+])(NC(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000647807240 385859216 /nfs/dbraw/zinc/85/92/16/385859216.db2.gz WPOVYGKGMYKXEW-GFCCVEGCSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000647807241 385858779 /nfs/dbraw/zinc/85/87/79/385858779.db2.gz WPOVYGKGMYKXEW-LBPRGKRZSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@](C[NH3+])(NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000647807258 385858981 /nfs/dbraw/zinc/85/89/81/385858981.db2.gz ZFIPMHQHGMCJPH-FYLLDIAZSA-N 2 0 223.320 -0.305 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000647807259 385859455 /nfs/dbraw/zinc/85/94/55/385859455.db2.gz ZFIPMHQHGMCJPH-XNDJQWLSSA-N 2 0 223.320 -0.305 20 0 BBADRP C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[NH2+]1 ZINC000647807566 398216255 /nfs/dbraw/zinc/21/62/55/398216255.db2.gz VCHSIGHPVCTOIL-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[NH2+]1 ZINC000647807567 398216156 /nfs/dbraw/zinc/21/61/56/398216156.db2.gz VCHSIGHPVCTOIL-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000647811301 385862070 /nfs/dbraw/zinc/86/20/70/385862070.db2.gz DQAMAKDRCPAPQZ-JTQLQIEISA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000647811302 385861932 /nfs/dbraw/zinc/86/19/32/385861932.db2.gz DQAMAKDRCPAPQZ-SNVBAGLBSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647811319 385862730 /nfs/dbraw/zinc/86/27/30/385862730.db2.gz NAWDGTYAEUZZSB-UKKRHICBSA-N 2 0 225.336 -0.059 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647811320 385863082 /nfs/dbraw/zinc/86/30/82/385863082.db2.gz NAWDGTYAEUZZSB-ZNSHCXBVSA-N 2 0 225.336 -0.059 20 0 BBADRP [NH3+][C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000647813487 385866380 /nfs/dbraw/zinc/86/63/80/385866380.db2.gz VMNMJKUBJRHSHH-NSHDSACASA-N 2 0 212.341 -0.685 20 0 BBADRP C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000647816980 385871119 /nfs/dbraw/zinc/87/11/19/385871119.db2.gz TXMHHFVWCWCMLQ-NXEZZACHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647816981 385870735 /nfs/dbraw/zinc/87/07/35/385870735.db2.gz TXMHHFVWCWCMLQ-UWVGGRQHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000647816982 385871304 /nfs/dbraw/zinc/87/13/04/385871304.db2.gz TXMHHFVWCWCMLQ-VHSXEESVSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647816983 385870627 /nfs/dbraw/zinc/87/06/27/385870627.db2.gz TXMHHFVWCWCMLQ-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC000647816994 385870324 /nfs/dbraw/zinc/87/03/24/385870324.db2.gz WWDWNSXSZBTLCZ-HWUMTFDVSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC000647816995 385871081 /nfs/dbraw/zinc/87/10/81/385871081.db2.gz WWDWNSXSZBTLCZ-ILAIQSSSSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC000647816996 385870676 /nfs/dbraw/zinc/87/06/76/385870676.db2.gz WWDWNSXSZBTLCZ-LXUNUROVSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC000647816997 385870881 /nfs/dbraw/zinc/87/08/81/385870881.db2.gz WWDWNSXSZBTLCZ-NZFPMDFQSA-N 2 0 223.320 -0.068 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)COC1(C)C[NH2+]C1 ZINC000647824978 385866913 /nfs/dbraw/zinc/86/69/13/385866913.db2.gz LQRRBBALWJGUQE-SECBINFHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)COC1(C)C[NH2+]C1 ZINC000647824979 385866254 /nfs/dbraw/zinc/86/62/54/385866254.db2.gz LQRRBBALWJGUQE-VIFPVBQESA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)COCC[NH3+] ZINC000647825020 385867206 /nfs/dbraw/zinc/86/72/06/385867206.db2.gz SPXKHZHTFNOHFN-LLVKDONJSA-N 2 0 231.340 -0.159 20 0 BBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)COCC[NH3+] ZINC000647825021 385867393 /nfs/dbraw/zinc/86/73/93/385867393.db2.gz SPXKHZHTFNOHFN-NSHDSACASA-N 2 0 231.340 -0.159 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647828195 385876648 /nfs/dbraw/zinc/87/66/48/385876648.db2.gz IPDWSQOGCZJVOR-FYLLDIAZSA-N 2 0 225.336 -0.059 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647828196 385876175 /nfs/dbraw/zinc/87/61/75/385876175.db2.gz IPDWSQOGCZJVOR-XNDJQWLSSA-N 2 0 225.336 -0.059 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000647828202 385876286 /nfs/dbraw/zinc/87/62/86/385876286.db2.gz LXIYCIUQUYMIPA-GFCCVEGCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000647828203 385876892 /nfs/dbraw/zinc/87/68/92/385876892.db2.gz LXIYCIUQUYMIPA-LBPRGKRZSA-N 2 0 243.351 -0.146 20 0 BBADRP COC1(C(=O)N(C)CCC[NH3+])CC[NH2+]CC1 ZINC000647829428 385877929 /nfs/dbraw/zinc/87/79/29/385877929.db2.gz FZQPIGSBQMGPRK-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647829780 385878535 /nfs/dbraw/zinc/87/85/35/385878535.db2.gz WIDVIJKXRLDRFA-LLVKDONJSA-N 3 0 240.351 -0.911 20 0 BBADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647829781 385878760 /nfs/dbraw/zinc/87/87/60/385878760.db2.gz WIDVIJKXRLDRFA-NSHDSACASA-N 3 0 240.351 -0.911 20 0 BBADRP C[C@@H]1CN(CC[N@@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000647830230 385878237 /nfs/dbraw/zinc/87/82/37/385878237.db2.gz BEUGGBHMGNTSGK-NEPJUHHUSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H]1CN(CC[N@@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000647830231 385878834 /nfs/dbraw/zinc/87/88/34/385878834.db2.gz BEUGGBHMGNTSGK-NWDGAFQWSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@H]1CN(CC[N@@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000647830232 385878278 /nfs/dbraw/zinc/87/82/78/385878278.db2.gz BEUGGBHMGNTSGK-RYUDHWBXSA-N 2 0 227.352 -0.012 20 0 BBADRP C[C@@H]1CN(CC[N@@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000647830233 385878940 /nfs/dbraw/zinc/87/89/40/385878940.db2.gz BEUGGBHMGNTSGK-VXGBXAGGSA-N 2 0 227.352 -0.012 20 0 BBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647830259 385879958 /nfs/dbraw/zinc/87/99/58/385879958.db2.gz DQZYRVGQYZOWBJ-JTQLQIEISA-N 2 0 249.380 -0.404 20 0 BBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647830260 385879676 /nfs/dbraw/zinc/87/96/76/385879676.db2.gz DQZYRVGQYZOWBJ-SNVBAGLBSA-N 2 0 249.380 -0.404 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC[NH2+]C1 ZINC000647834775 385885129 /nfs/dbraw/zinc/88/51/29/385885129.db2.gz SCWBVBAFTBIYDK-GFCCVEGCSA-N 3 0 226.368 -0.567 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CC[NH2+]C1 ZINC000647834776 385885600 /nfs/dbraw/zinc/88/56/00/385885600.db2.gz SCWBVBAFTBIYDK-LBPRGKRZSA-N 3 0 226.368 -0.567 20 0 BBADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CCN1CC[NH2+]CC1 ZINC000647836205 385880820 /nfs/dbraw/zinc/88/08/20/385880820.db2.gz OQAURALRFBUCIE-CYBMUJFWSA-N 3 0 240.395 -0.177 20 0 BBADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CCN1CC[NH2+]CC1 ZINC000647836206 385879695 /nfs/dbraw/zinc/87/96/95/385879695.db2.gz OQAURALRFBUCIE-ZDUSSCGKSA-N 3 0 240.395 -0.177 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccnc(N)c1 ZINC000647836210 411874751 /nfs/dbraw/zinc/87/47/51/411874751.db2.gz PEAAAQYQOALHSF-UHFFFAOYSA-N 2 0 249.362 0.001 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647841355 385889748 /nfs/dbraw/zinc/88/97/48/385889748.db2.gz MTACMSVJFQRJCR-DTORHVGOSA-N 2 0 211.309 -0.066 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]CC1(C)C ZINC000647841400 385890067 /nfs/dbraw/zinc/89/00/67/385890067.db2.gz QLDFPUXESSHDQU-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]CC1(C)C ZINC000647841401 385890005 /nfs/dbraw/zinc/89/00/05/385890005.db2.gz QLDFPUXESSHDQU-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647841495 385889572 /nfs/dbraw/zinc/88/95/72/385889572.db2.gz YNZLOQSEHVBEJP-MYJAWHEDSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000647845799 385886763 /nfs/dbraw/zinc/88/67/63/385886763.db2.gz PGUDTFKOQOMNKA-CHWSQXEVSA-N 3 0 240.395 -0.049 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000647845800 385887898 /nfs/dbraw/zinc/88/78/98/385887898.db2.gz PGUDTFKOQOMNKA-OLZOCXBDSA-N 3 0 240.395 -0.049 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000647845801 385887757 /nfs/dbraw/zinc/88/77/57/385887757.db2.gz PGUDTFKOQOMNKA-QWHCGFSZSA-N 3 0 240.395 -0.049 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000647845802 385887355 /nfs/dbraw/zinc/88/73/55/385887355.db2.gz PGUDTFKOQOMNKA-STQMWFEESA-N 3 0 240.395 -0.049 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647846982 385906829 /nfs/dbraw/zinc/90/68/29/385906829.db2.gz PSGZQZDITBXNMM-LVEVGFFFSA-N 2 0 235.331 -0.195 20 0 BBADRP C[C@@H]1CCCN(CCN2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000647847058 385906257 /nfs/dbraw/zinc/90/62/57/385906257.db2.gz XLLNTOCPVPDQBO-CHWSQXEVSA-N 2 0 240.395 -0.049 20 0 BBADRP C[C@@H]1CCCN(CCN2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000647847059 385906946 /nfs/dbraw/zinc/90/69/46/385906946.db2.gz XLLNTOCPVPDQBO-OLZOCXBDSA-N 2 0 240.395 -0.049 20 0 BBADRP C[C@H]1CCCN(CCN2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000647847061 385907193 /nfs/dbraw/zinc/90/71/93/385907193.db2.gz XLLNTOCPVPDQBO-QWHCGFSZSA-N 2 0 240.395 -0.049 20 0 BBADRP C[C@H]1CCCN(CCN2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000647847063 385907496 /nfs/dbraw/zinc/90/74/96/385907496.db2.gz XLLNTOCPVPDQBO-STQMWFEESA-N 2 0 240.395 -0.049 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)COC1(C)C[NH2+]C1 ZINC000647847144 385896154 /nfs/dbraw/zinc/89/61/54/385896154.db2.gz BLTXYJJBPVUGIG-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP C[N@H+](CCC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000647847218 385897534 /nfs/dbraw/zinc/89/75/34/385897534.db2.gz HSZAHQNGWJZEBI-UHFFFAOYSA-N 3 0 228.340 -0.911 20 0 BBADRP C[C@@H]1CN(CC[N@H+](C)CCC[NH3+])CCO1 ZINC000647847342 385896656 /nfs/dbraw/zinc/89/66/56/385896656.db2.gz KHAVTBQZGLNWEE-LLVKDONJSA-N 2 0 215.341 -0.012 20 0 BBADRP C[C@H]1CN(CC[N@H+](C)CCC[NH3+])CCO1 ZINC000647847343 385897174 /nfs/dbraw/zinc/89/71/74/385897174.db2.gz KHAVTBQZGLNWEE-NSHDSACASA-N 2 0 215.341 -0.012 20 0 BBADRP CN1CCN(C(=O)CC[N@H+](C)CCC[NH3+])CC1 ZINC000647847375 385897093 /nfs/dbraw/zinc/89/70/93/385897093.db2.gz NGAQLRMTBSUFMT-UHFFFAOYSA-N 2 0 242.367 -0.569 20 0 BBADRP CCS(=O)(=O)NCCC[N@H+](C)CCC[NH3+] ZINC000647847542 385898223 /nfs/dbraw/zinc/89/82/23/385898223.db2.gz SLGAXHGPIUPMAW-UHFFFAOYSA-N 2 0 237.369 -0.404 20 0 BBADRP C[C@H](C(=O)NC[C@H]1CCCO1)N(C)CCC[NH3+] ZINC000647849125 385900950 /nfs/dbraw/zinc/90/09/50/385900950.db2.gz IMORLOZNAFJKIL-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)CCC[NH3+] ZINC000647849126 385900610 /nfs/dbraw/zinc/90/06/10/385900610.db2.gz IMORLOZNAFJKIL-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CCC[NH3+] ZINC000647849127 385901094 /nfs/dbraw/zinc/90/10/94/385901094.db2.gz IMORLOZNAFJKIL-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)CCC[NH3+] ZINC000647849128 385900801 /nfs/dbraw/zinc/90/08/01/385900801.db2.gz IMORLOZNAFJKIL-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CC1(C)C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000647851812 385902505 /nfs/dbraw/zinc/90/25/05/385902505.db2.gz BLIXZFFRDWQCCG-UHFFFAOYSA-N 2 0 226.368 -0.425 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647858069 385914954 /nfs/dbraw/zinc/91/49/54/385914954.db2.gz CVDRTHGLZHVSQK-UKKRHICBSA-N 2 0 223.320 -0.338 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647858070 385914749 /nfs/dbraw/zinc/91/47/49/385914749.db2.gz CVDRTHGLZHVSQK-ZNSHCXBVSA-N 2 0 223.320 -0.338 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000647858079 385914770 /nfs/dbraw/zinc/91/47/70/385914770.db2.gz MJOOUQRSZKMDOM-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000647858080 385914453 /nfs/dbraw/zinc/91/44/53/385914453.db2.gz MJOOUQRSZKMDOM-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647858589 385914341 /nfs/dbraw/zinc/91/43/41/385914341.db2.gz BKMAKOSPAMFTGD-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647858590 385914497 /nfs/dbraw/zinc/91/44/97/385914497.db2.gz BKMAKOSPAMFTGD-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647864054 385964543 /nfs/dbraw/zinc/96/45/43/385964543.db2.gz QBICEUKAIAJMJY-MYJAWHEDSA-N 2 0 225.336 -0.105 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)COC1(C)C[NH2+]C1 ZINC000647864410 385967556 /nfs/dbraw/zinc/96/75/56/385967556.db2.gz VXSWHYWISLDJAI-UHFFFAOYSA-N 2 0 243.351 -0.192 20 0 BBADRP CN1CCN(C(=O)CCC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000647872655 386137545 /nfs/dbraw/zinc/13/75/45/386137545.db2.gz OJTYELDTIUBKIW-JTQLQIEISA-N 2 0 242.367 -0.395 20 0 BBADRP CN1CCN(C(=O)CCC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000647872656 386138243 /nfs/dbraw/zinc/13/82/43/386138243.db2.gz OJTYELDTIUBKIW-SNVBAGLBSA-N 2 0 242.367 -0.395 20 0 BBADRP CN1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000647874399 386136296 /nfs/dbraw/zinc/13/62/96/386136296.db2.gz RNPIGQIIGJCGTO-NXEZZACHSA-N 2 0 240.351 -0.914 20 0 BBADRP CN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC000647874400 386135539 /nfs/dbraw/zinc/13/55/39/386135539.db2.gz RNPIGQIIGJCGTO-UWVGGRQHSA-N 2 0 240.351 -0.914 20 0 BBADRP CN1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC000647874401 386135407 /nfs/dbraw/zinc/13/54/07/386135407.db2.gz RNPIGQIIGJCGTO-VHSXEESVSA-N 2 0 240.351 -0.914 20 0 BBADRP CN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000647874402 386134278 /nfs/dbraw/zinc/13/42/78/386134278.db2.gz RNPIGQIIGJCGTO-ZJUUUORDSA-N 2 0 240.351 -0.914 20 0 BBADRP COCC(=O)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874760 386144268 /nfs/dbraw/zinc/14/42/68/386144268.db2.gz VOSOHLFDIDRERD-LLVKDONJSA-N 2 0 241.335 -0.614 20 0 BBADRP COCC(=O)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647874761 386142971 /nfs/dbraw/zinc/14/29/71/386142971.db2.gz VOSOHLFDIDRERD-NSHDSACASA-N 2 0 241.335 -0.614 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000647875128 386142769 /nfs/dbraw/zinc/14/27/69/386142769.db2.gz XNDMXOWALXAAEK-BBBLOLIVSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000647875129 386144017 /nfs/dbraw/zinc/14/40/17/386144017.db2.gz XNDMXOWALXAAEK-KXUCPTDWSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000647875130 386142659 /nfs/dbraw/zinc/14/26/59/386142659.db2.gz XNDMXOWALXAAEK-OPRDCNLKSA-N 2 0 227.308 -0.687 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000647875131 386142332 /nfs/dbraw/zinc/14/23/32/386142332.db2.gz XNDMXOWALXAAEK-UTLUCORTSA-N 2 0 227.308 -0.687 20 0 BBADRP C[NH2+]CCCN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000647876944 386145507 /nfs/dbraw/zinc/14/55/07/386145507.db2.gz DOLGFGATFCYVAE-JTQLQIEISA-N 2 0 249.380 -0.391 20 0 BBADRP C[NH2+]CCCN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000647876945 386144821 /nfs/dbraw/zinc/14/48/21/386144821.db2.gz DOLGFGATFCYVAE-SNVBAGLBSA-N 2 0 249.380 -0.391 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000647877004 386146682 /nfs/dbraw/zinc/14/66/82/386146682.db2.gz FUAOPQJQCMJSBK-HOSYDEDBSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000647877005 386145589 /nfs/dbraw/zinc/14/55/89/386145589.db2.gz FUAOPQJQCMJSBK-JBLDHEPKSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000647877219 386146097 /nfs/dbraw/zinc/14/60/97/386146097.db2.gz LMVWRBPKIMLYFR-APLZJWDSSA-N 2 0 239.319 -0.689 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000647877220 386145910 /nfs/dbraw/zinc/14/59/10/386145910.db2.gz LMVWRBPKIMLYFR-GEVSDDDWSA-N 2 0 239.319 -0.689 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000647877221 386145657 /nfs/dbraw/zinc/14/56/57/386145657.db2.gz LMVWRBPKIMLYFR-MVCUBJFGSA-N 2 0 239.319 -0.689 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000647877222 386144974 /nfs/dbraw/zinc/14/49/74/386144974.db2.gz LMVWRBPKIMLYFR-UNQZSWDGSA-N 2 0 239.319 -0.689 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000647877690 386140540 /nfs/dbraw/zinc/14/05/40/386140540.db2.gz ZNSZGGQZRNPPSO-FBDQPXRJSA-N 2 0 239.319 -0.974 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000647877691 386141433 /nfs/dbraw/zinc/14/14/33/386141433.db2.gz ZNSZGGQZRNPPSO-NZFPMDFQSA-N 2 0 239.319 -0.974 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000647877692 386139628 /nfs/dbraw/zinc/13/96/28/386139628.db2.gz ZNSZGGQZRNPPSO-QUARPLMYSA-N 2 0 239.319 -0.974 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000647877693 386139237 /nfs/dbraw/zinc/13/92/37/386139237.db2.gz ZNSZGGQZRNPPSO-UVOCVTCTSA-N 2 0 239.319 -0.974 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000647878528 386160217 /nfs/dbraw/zinc/16/02/17/386160217.db2.gz OKMMOFIOOOXULP-AXTSPUMRSA-N 2 0 227.308 -0.702 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000647878529 386158978 /nfs/dbraw/zinc/15/89/78/386158978.db2.gz OKMMOFIOOOXULP-DOLQZWNJSA-N 2 0 227.308 -0.702 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000647878530 386159989 /nfs/dbraw/zinc/15/99/89/386159989.db2.gz OKMMOFIOOOXULP-IMSYWVGJSA-N 2 0 227.308 -0.702 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000647878531 386159776 /nfs/dbraw/zinc/15/97/76/386159776.db2.gz OKMMOFIOOOXULP-QEYWKRMJSA-N 2 0 227.308 -0.702 20 0 BBADRP COCCN(CC(=O)N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000647879836 386186080 /nfs/dbraw/zinc/18/60/80/386186080.db2.gz IGVHJWZBHFMERC-LLVKDONJSA-N 2 0 243.351 -0.368 20 0 BBADRP COCCN(CC(=O)N(C)C)C[C@H]1CC[NH2+]C1 ZINC000647879837 386186404 /nfs/dbraw/zinc/18/64/04/386186404.db2.gz IGVHJWZBHFMERC-NSHDSACASA-N 2 0 243.351 -0.368 20 0 BBADRP OCCC[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000647884902 397925640 /nfs/dbraw/zinc/92/56/40/397925640.db2.gz IHNIDCMHWXSPSR-UHFFFAOYSA-N 2 0 227.352 -0.262 20 0 BBADRP C[N@H+](CCOCC[NH3+])CCN1CCCC1=O ZINC000647885713 386279045 /nfs/dbraw/zinc/27/90/45/386279045.db2.gz IRFJCOOUSYUBDW-UHFFFAOYSA-N 2 0 229.324 -0.484 20 0 BBADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000647889456 386359647 /nfs/dbraw/zinc/35/96/47/386359647.db2.gz SLEWJOCFFFIYBH-AXFHLTTASA-N 2 0 223.320 -0.051 20 0 BBADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000647889457 386360148 /nfs/dbraw/zinc/36/01/48/386360148.db2.gz SLEWJOCFFFIYBH-MXWKQRLJSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+]CCOCC[NH+]1CCC(OCCCO)CC1 ZINC000647890021 386365687 /nfs/dbraw/zinc/36/56/87/386365687.db2.gz HPXRWFVQIPKWGG-UHFFFAOYSA-N 2 0 246.351 -0.175 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccon1 ZINC000647905641 412146744 /nfs/dbraw/zinc/14/67/44/412146744.db2.gz WTTGIKGETASJIG-BDAKNGLRSA-N 2 0 238.291 0.282 20 0 BBADRP CC(C)(O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000647908800 386790137 /nfs/dbraw/zinc/79/01/37/386790137.db2.gz LDOVNRQJYJNECY-UHFFFAOYSA-N 2 0 216.325 -0.196 20 0 BBADRP CNS(=O)(=O)CCCN1CCC(C)([NH3+])CC1 ZINC000647924813 385958918 /nfs/dbraw/zinc/95/89/18/385958918.db2.gz MHJOLNMLHSAUQC-UHFFFAOYSA-N 2 0 249.380 -0.261 20 0 BBADRP CCOCCNC(=O)CN1CCC(C)([NH3+])CC1 ZINC000647924842 385958892 /nfs/dbraw/zinc/95/88/92/385958892.db2.gz PBKKNCXGQPHYPT-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP CCS(=O)(=O)NCCN1CCC(C)([NH3+])CC1 ZINC000647924846 385958557 /nfs/dbraw/zinc/95/85/57/385958557.db2.gz PMKDGQJPRHYJKI-UHFFFAOYSA-N 2 0 249.380 -0.261 20 0 BBADRP CC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647935078 386485415 /nfs/dbraw/zinc/48/54/15/386485415.db2.gz YYYULWOOLOLESC-CHWSQXEVSA-N 2 0 240.395 -0.049 20 0 BBADRP CC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647935079 386485051 /nfs/dbraw/zinc/48/50/51/386485051.db2.gz YYYULWOOLOLESC-OLZOCXBDSA-N 2 0 240.395 -0.049 20 0 BBADRP CC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647935080 386485581 /nfs/dbraw/zinc/48/55/81/386485581.db2.gz YYYULWOOLOLESC-QWHCGFSZSA-N 2 0 240.395 -0.049 20 0 BBADRP CC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647935081 386484781 /nfs/dbraw/zinc/48/47/81/386484781.db2.gz YYYULWOOLOLESC-STQMWFEESA-N 2 0 240.395 -0.049 20 0 BBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000647958081 411496275 /nfs/dbraw/zinc/49/62/75/411496275.db2.gz UGBPOUQIMIGJQN-NEPJUHHUSA-N 2 0 249.362 -0.024 20 0 BBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000647958082 411496825 /nfs/dbraw/zinc/49/68/25/411496825.db2.gz UGBPOUQIMIGJQN-NWDGAFQWSA-N 2 0 249.362 -0.024 20 0 BBADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000647958083 411496265 /nfs/dbraw/zinc/49/62/65/411496265.db2.gz UGBPOUQIMIGJQN-RYUDHWBXSA-N 2 0 249.362 -0.024 20 0 BBADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000647958084 411496578 /nfs/dbraw/zinc/49/65/78/411496578.db2.gz UGBPOUQIMIGJQN-VXGBXAGGSA-N 2 0 249.362 -0.024 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CCN1CC[NH2+]CC1 ZINC000647958498 386708550 /nfs/dbraw/zinc/70/85/50/386708550.db2.gz CRUOIBZTZDEUJP-RYUDHWBXSA-N 2 0 244.358 -0.477 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1C(=O)NC ZINC000647960979 386730410 /nfs/dbraw/zinc/73/04/10/386730410.db2.gz WUYSUZALHRYOTH-GHMZBOCLSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1C(=O)NC ZINC000647960980 386730377 /nfs/dbraw/zinc/73/03/77/386730377.db2.gz WUYSUZALHRYOTH-MNOVXSKESA-N 2 0 243.351 -0.491 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1C(=O)NC ZINC000647960981 386729996 /nfs/dbraw/zinc/72/99/96/386729996.db2.gz WUYSUZALHRYOTH-QWRGUYRKSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1C(=O)NC ZINC000647960982 386730805 /nfs/dbraw/zinc/73/08/05/386730805.db2.gz WUYSUZALHRYOTH-WDEREUQCSA-N 2 0 243.351 -0.491 20 0 BBADRP CN(Cc1nc(C(C)(C)[NH3+])no1)C1C[NH2+]C1 ZINC000647970034 386343632 /nfs/dbraw/zinc/34/36/32/386343632.db2.gz WOGRFPCYQPWJMP-UHFFFAOYSA-N 2 0 225.296 -0.333 20 0 BBADRP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000647971737 386510976 /nfs/dbraw/zinc/51/09/76/386510976.db2.gz VINHKIMBEVZPCQ-SDDRHHMPSA-N 2 0 246.351 -0.885 20 0 BBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@H]1CO ZINC000647971738 386510189 /nfs/dbraw/zinc/51/01/89/386510189.db2.gz VINHKIMBEVZPCQ-SRVKXCTJSA-N 2 0 246.351 -0.885 20 0 BBADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000647971739 386510507 /nfs/dbraw/zinc/51/05/07/386510507.db2.gz VINHKIMBEVZPCQ-TUAOUCFPSA-N 2 0 246.351 -0.885 20 0 BBADRP Cn1nnnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979560 386664282 /nfs/dbraw/zinc/66/42/82/386664282.db2.gz RTAZBBHKPJJHKH-AOOOYVTPSA-N 2 0 236.323 -0.359 20 0 BBADRP C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987585 386276459 /nfs/dbraw/zinc/27/64/59/386276459.db2.gz GRNRIFWLPUSTJR-CHWSQXEVSA-N 2 0 238.379 -0.425 20 0 BBADRP C(CN1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987586 386274522 /nfs/dbraw/zinc/27/45/22/386274522.db2.gz GRNRIFWLPUSTJR-OLZOCXBDSA-N 2 0 238.379 -0.425 20 0 BBADRP C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987587 386276538 /nfs/dbraw/zinc/27/65/38/386276538.db2.gz GRNRIFWLPUSTJR-QWHCGFSZSA-N 2 0 238.379 -0.425 20 0 BBADRP C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987588 386275889 /nfs/dbraw/zinc/27/58/89/386275889.db2.gz GRNRIFWLPUSTJR-STQMWFEESA-N 2 0 238.379 -0.425 20 0 BBADRP C[C@@H]1CN(CCOCC[NH3+])[C@H](C)C[NH2+]1 ZINC000647987692 386277388 /nfs/dbraw/zinc/27/73/88/386277388.db2.gz QQRMBASSVXCXKV-NXEZZACHSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@H]1CN(CCOCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000647987693 386278204 /nfs/dbraw/zinc/27/82/04/386278204.db2.gz QQRMBASSVXCXKV-UWVGGRQHSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1CCOCC[NH3+] ZINC000647987694 386279011 /nfs/dbraw/zinc/27/90/11/386279011.db2.gz QQRMBASSVXCXKV-VHSXEESVSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@@H]1CN(CCOCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000647987695 386278049 /nfs/dbraw/zinc/27/80/49/386278049.db2.gz QQRMBASSVXCXKV-ZJUUUORDSA-N 2 0 201.314 -0.356 20 0 BBADRP C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000647987772 386278668 /nfs/dbraw/zinc/27/86/68/386278668.db2.gz YRKNLSNQKNQCKK-GHMZBOCLSA-N 3 0 212.341 -0.829 20 0 BBADRP [NH3+]CCOCCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647987776 386278874 /nfs/dbraw/zinc/27/88/74/386278874.db2.gz YRNYWHAGBHZFLM-GHMZBOCLSA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]CCOCCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647987777 386277778 /nfs/dbraw/zinc/27/77/78/386277778.db2.gz YRNYWHAGBHZFLM-MNOVXSKESA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]CCOCCN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647987778 386277584 /nfs/dbraw/zinc/27/75/84/386277584.db2.gz YRNYWHAGBHZFLM-QWRGUYRKSA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]CCOCCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647987779 583580377 /nfs/dbraw/zinc/58/03/77/583580377.db2.gz YRNYWHAGBHZFLM-WDEREUQCSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]CCOCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000647987780 491120013 /nfs/dbraw/zinc/12/00/13/491120013.db2.gz ZCJSNGHTEJPXEP-WDEREUQCSA-N 2 0 213.325 -0.355 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1CCN1CC[NH2+]CC1 ZINC000647988012 386294188 /nfs/dbraw/zinc/29/41/88/386294188.db2.gz FSHDMFULXDGJJO-QWRGUYRKSA-N 2 0 212.341 -0.687 20 0 BBADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CCOCC[NH3+] ZINC000647989202 386348662 /nfs/dbraw/zinc/34/86/62/386348662.db2.gz XAHNHRXVYJATHV-GHMZBOCLSA-N 2 0 215.341 -0.014 20 0 BBADRP C[C@@H]1CN(CCOCC[NH3+])[C@@H](C)C[N@@H+]1C ZINC000647989204 386346613 /nfs/dbraw/zinc/34/66/13/386346613.db2.gz XAHNHRXVYJATHV-MNOVXSKESA-N 2 0 215.341 -0.014 20 0 BBADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1CCOCC[NH3+] ZINC000647989205 386346209 /nfs/dbraw/zinc/34/62/09/386346209.db2.gz XAHNHRXVYJATHV-QWRGUYRKSA-N 2 0 215.341 -0.014 20 0 BBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCOCC[NH3+] ZINC000647989206 386348161 /nfs/dbraw/zinc/34/81/61/386348161.db2.gz XAHNHRXVYJATHV-WDEREUQCSA-N 2 0 215.341 -0.014 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CCCO1 ZINC000647992493 386448442 /nfs/dbraw/zinc/44/84/42/386448442.db2.gz GJLWMZTXIDELEL-GHMZBOCLSA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCCO1 ZINC000647992494 386446647 /nfs/dbraw/zinc/44/66/47/386446647.db2.gz GJLWMZTXIDELEL-MNOVXSKESA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@H]2CC[NH2+]C2)CCCO1 ZINC000647992495 386448006 /nfs/dbraw/zinc/44/80/06/386448006.db2.gz GJLWMZTXIDELEL-QWRGUYRKSA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@H]2CC[NH2+]C2)CCCO1 ZINC000647992496 386447833 /nfs/dbraw/zinc/44/78/33/386447833.db2.gz GJLWMZTXIDELEL-WDEREUQCSA-N 3 0 213.325 -0.355 20 0 BBADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647997585 386621124 /nfs/dbraw/zinc/62/11/24/386621124.db2.gz QWKCSKIWYBOVES-VXGBXAGGSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCOCC[NH3+] ZINC000647997642 386620489 /nfs/dbraw/zinc/62/04/89/386620489.db2.gz VGVYEYXYXDPOSB-NXEZZACHSA-N 2 0 202.298 -0.193 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000648103325 387019015 /nfs/dbraw/zinc/01/90/15/387019015.db2.gz ACDDVCIJOCACPM-MNOVXSKESA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000648103326 387018900 /nfs/dbraw/zinc/01/89/00/387018900.db2.gz ACDDVCIJOCACPM-QWRGUYRKSA-N 2 0 239.319 -0.672 20 0 BBADRP [NH3+]CCOCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000648103331 387018853 /nfs/dbraw/zinc/01/88/53/387018853.db2.gz HHVZJBDKXLWCCV-JTQLQIEISA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CCOCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000648103332 387019702 /nfs/dbraw/zinc/01/97/02/387019702.db2.gz HHVZJBDKXLWCCV-SNVBAGLBSA-N 2 0 227.308 -0.685 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000648103427 387019595 /nfs/dbraw/zinc/01/95/95/387019595.db2.gz XKVJHNHWTWNZOJ-NNYUYHANSA-N 2 0 235.331 -0.195 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000648103428 387019735 /nfs/dbraw/zinc/01/97/35/387019735.db2.gz XKVJHNHWTWNZOJ-WYUUTHIRSA-N 2 0 235.331 -0.195 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648103516 387018631 /nfs/dbraw/zinc/01/86/31/387018631.db2.gz DWYUQDKFZOPNFO-HTQZYQBOSA-N 2 0 235.278 -0.058 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648103517 387019456 /nfs/dbraw/zinc/01/94/56/387019456.db2.gz DWYUQDKFZOPNFO-JGVFFNPUSA-N 2 0 235.278 -0.058 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648103518 387018969 /nfs/dbraw/zinc/01/89/69/387018969.db2.gz DWYUQDKFZOPNFO-SFYZADRCSA-N 2 0 235.278 -0.058 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648103519 387019251 /nfs/dbraw/zinc/01/92/51/387019251.db2.gz DWYUQDKFZOPNFO-YUMQZZPRSA-N 2 0 235.278 -0.058 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)COC1(C)C[NH2+]C1 ZINC000648105272 387023421 /nfs/dbraw/zinc/02/34/21/387023421.db2.gz KQRCYTWKGJABOI-NXEZZACHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)COC1(C)C[NH2+]C1 ZINC000648105273 387023388 /nfs/dbraw/zinc/02/33/88/387023388.db2.gz KQRCYTWKGJABOI-UWVGGRQHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)COC1(C)C[NH2+]C1 ZINC000648105274 387023583 /nfs/dbraw/zinc/02/35/83/387023583.db2.gz KQRCYTWKGJABOI-VHSXEESVSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)COC1(C)C[NH2+]C1 ZINC000648105275 387022804 /nfs/dbraw/zinc/02/28/04/387022804.db2.gz KQRCYTWKGJABOI-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648105311 387022292 /nfs/dbraw/zinc/02/22/92/387022292.db2.gz OPEYYGLHQLXZCQ-DAWVFNFOSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648105312 387023746 /nfs/dbraw/zinc/02/37/46/387023746.db2.gz OPEYYGLHQLXZCQ-ILAIQSSSSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648105313 387023465 /nfs/dbraw/zinc/02/34/65/387023465.db2.gz OPEYYGLHQLXZCQ-LXUNUROVSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648105314 387023374 /nfs/dbraw/zinc/02/33/74/387023374.db2.gz OPEYYGLHQLXZCQ-QGKZMRNZSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648105365 387025507 /nfs/dbraw/zinc/02/55/07/387025507.db2.gz USTQAZYAXXPVSP-APLZJWDSSA-N 2 0 223.320 -0.353 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648105366 387024782 /nfs/dbraw/zinc/02/47/82/387024782.db2.gz USTQAZYAXXPVSP-LADJIXMOSA-N 2 0 223.320 -0.353 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648105367 387024847 /nfs/dbraw/zinc/02/48/47/387024847.db2.gz USTQAZYAXXPVSP-OGBGREFGSA-N 2 0 223.320 -0.353 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648105368 387024614 /nfs/dbraw/zinc/02/46/14/387024614.db2.gz USTQAZYAXXPVSP-XXFSISAASA-N 2 0 223.320 -0.353 20 0 BBADRP CCC[NH2+]CCNC(=O)COC1(C)C[NH2+]C1 ZINC000648105502 387024800 /nfs/dbraw/zinc/02/48/00/387024800.db2.gz DAMFVXFXVUHDRW-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP [NH3+]C1(C(=O)NCC2C[NH2+]C2)Cc2ccccc2C1 ZINC000648105989 387029518 /nfs/dbraw/zinc/02/95/18/387029518.db2.gz XMVMPBVRSUPYFC-UHFFFAOYSA-N 2 0 245.326 -0.182 20 0 BBADRP C[C@@H]1[C@H](C(=O)NCC2C[NH2+]C2)CC[N@@H+]1C ZINC000648106001 387029626 /nfs/dbraw/zinc/02/96/26/387029626.db2.gz ZTJVOOJCWUATJP-PSASIEDQSA-N 2 0 211.309 -0.338 20 0 BBADRP COCC[NH2+]CCNC(=O)CCC(C)(C)[NH3+] ZINC000648106098 387030892 /nfs/dbraw/zinc/03/08/92/387030892.db2.gz AIDGVUABHNCUJW-UHFFFAOYSA-N 2 0 231.340 -0.144 20 0 BBADRP CC1(OCC(=O)NC[C@@H]([NH3+])C2CC2)C[NH2+]C1 ZINC000648106137 387029589 /nfs/dbraw/zinc/02/95/89/387029589.db2.gz DQEOSIOZHROYSI-SECBINFHSA-N 2 0 227.308 -0.782 20 0 BBADRP CC1(OCC(=O)NC[C@H]([NH3+])C2CC2)C[NH2+]C1 ZINC000648106138 387028373 /nfs/dbraw/zinc/02/83/73/387028373.db2.gz DQEOSIOZHROYSI-VIFPVBQESA-N 2 0 227.308 -0.782 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648106175 387028481 /nfs/dbraw/zinc/02/84/81/387028481.db2.gz HZMCLXNKUNBCQU-GHMZBOCLSA-N 2 0 243.351 -0.321 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648106187 387028262 /nfs/dbraw/zinc/02/82/62/387028262.db2.gz JZKIMXGTWLDDSL-BBBLOLIVSA-N 2 0 227.308 -0.911 20 0 BBADRP C[NH2+]CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106811 387041905 /nfs/dbraw/zinc/04/19/05/387041905.db2.gz ZDQMJQNVOGLHJZ-UHFFFAOYSA-N 2 0 220.276 -0.115 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648107708 387047745 /nfs/dbraw/zinc/04/77/45/387047745.db2.gz IUNUDKXBMVBBLZ-DAWVFNFOSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648107709 387048256 /nfs/dbraw/zinc/04/82/56/387048256.db2.gz IUNUDKXBMVBBLZ-ILAIQSSSSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648107710 387046939 /nfs/dbraw/zinc/04/69/39/387046939.db2.gz IUNUDKXBMVBBLZ-LXUNUROVSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648107711 387047936 /nfs/dbraw/zinc/04/79/36/387047936.db2.gz IUNUDKXBMVBBLZ-QGKZMRNZSA-N 2 0 223.320 -0.068 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648107772 387047707 /nfs/dbraw/zinc/04/77/07/387047707.db2.gz NKIJJHWIVVGQLC-APLZJWDSSA-N 2 0 223.320 -0.353 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648107773 387047351 /nfs/dbraw/zinc/04/73/51/387047351.db2.gz NKIJJHWIVVGQLC-LADJIXMOSA-N 2 0 223.320 -0.353 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648107774 387047597 /nfs/dbraw/zinc/04/75/97/387047597.db2.gz NKIJJHWIVVGQLC-OGBGREFGSA-N 2 0 223.320 -0.353 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648107775 387048122 /nfs/dbraw/zinc/04/81/22/387048122.db2.gz NKIJJHWIVVGQLC-XXFSISAASA-N 2 0 223.320 -0.353 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000648107816 387049989 /nfs/dbraw/zinc/04/99/89/387049989.db2.gz RXSIWOWCGLKMHN-AATLWQCWSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000648107817 387050334 /nfs/dbraw/zinc/05/03/34/387050334.db2.gz RXSIWOWCGLKMHN-KYXWUPHJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000648107818 387051168 /nfs/dbraw/zinc/05/11/68/387051168.db2.gz RXSIWOWCGLKMHN-QCLAVDOMSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000648107819 387050177 /nfs/dbraw/zinc/05/01/77/387050177.db2.gz RXSIWOWCGLKMHN-RGOKHQFPSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000648107842 387050758 /nfs/dbraw/zinc/05/07/58/387050758.db2.gz UWCFROUFMUKMRV-NXEZZACHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000648107843 387050818 /nfs/dbraw/zinc/05/08/18/387050818.db2.gz UWCFROUFMUKMRV-UWVGGRQHSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000648107844 387049616 /nfs/dbraw/zinc/04/96/16/387049616.db2.gz UWCFROUFMUKMRV-VHSXEESVSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000648107845 387050537 /nfs/dbraw/zinc/05/05/37/387050537.db2.gz UWCFROUFMUKMRV-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C[NH2+]1 ZINC000648107978 387052281 /nfs/dbraw/zinc/05/22/81/387052281.db2.gz JIHCAWKQLOIBLT-APLZJWDSSA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C[NH2+]1 ZINC000648107979 387053541 /nfs/dbraw/zinc/05/35/41/387053541.db2.gz JIHCAWKQLOIBLT-LADJIXMOSA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648107980 387053396 /nfs/dbraw/zinc/05/33/96/387053396.db2.gz JIHCAWKQLOIBLT-OGBGREFGSA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C[NH2+]1 ZINC000648107981 387053319 /nfs/dbraw/zinc/05/33/19/387053319.db2.gz JIHCAWKQLOIBLT-XXFSISAASA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000648108060 387051773 /nfs/dbraw/zinc/05/17/73/387051773.db2.gz WDYOJJATSXULJJ-NXEZZACHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000648108061 387053065 /nfs/dbraw/zinc/05/30/65/387053065.db2.gz WDYOJJATSXULJJ-UWVGGRQHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)COC1(C)C[NH2+]C1 ZINC000648108062 387052168 /nfs/dbraw/zinc/05/21/68/387052168.db2.gz WDYOJJATSXULJJ-VHSXEESVSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000648108063 387052589 /nfs/dbraw/zinc/05/25/89/387052589.db2.gz WDYOJJATSXULJJ-ZJUUUORDSA-N 2 0 241.335 -0.426 20 0 BBADRP CC1(OCC(=O)NCC2([NH3+])CCC2)C[NH2+]C1 ZINC000648108603 387059297 /nfs/dbraw/zinc/05/92/97/387059297.db2.gz CDHRWPQRRXVPII-UHFFFAOYSA-N 2 0 227.308 -0.638 20 0 BBADRP CC1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]CC1 ZINC000648108648 387060051 /nfs/dbraw/zinc/06/00/51/387060051.db2.gz KYPVPJPXGCVTGE-URLYPYJESA-N 2 0 237.347 -0.042 20 0 BBADRP C[C@@]1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCC[NH2+]C1 ZINC000648108976 387064407 /nfs/dbraw/zinc/06/44/07/387064407.db2.gz JSPWNTRTRJLULU-MPPDQPJWSA-N 2 0 237.347 -0.042 20 0 BBADRP C[C@]1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCC[NH2+]C1 ZINC000648108977 387064649 /nfs/dbraw/zinc/06/46/49/387064649.db2.gz JSPWNTRTRJLULU-WGBDABJCSA-N 2 0 237.347 -0.042 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@H]12 ZINC000648109631 387121481 /nfs/dbraw/zinc/12/14/81/387121481.db2.gz CAWUIOFKIPPWBF-IXJGYNTHSA-N 2 0 235.331 -0.353 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@H]12 ZINC000648109632 387121045 /nfs/dbraw/zinc/12/10/45/387121045.db2.gz CAWUIOFKIPPWBF-NEJQNHLGSA-N 2 0 235.331 -0.353 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]12 ZINC000648109633 387122166 /nfs/dbraw/zinc/12/21/66/387122166.db2.gz CAWUIOFKIPPWBF-RFHDDPBLSA-N 2 0 235.331 -0.353 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]12 ZINC000648109634 387121763 /nfs/dbraw/zinc/12/17/63/387121763.db2.gz CAWUIOFKIPPWBF-WGWHJZDNSA-N 2 0 235.331 -0.353 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000648110072 387161571 /nfs/dbraw/zinc/16/15/71/387161571.db2.gz WYRMTXKMDPIFKS-MPPDQPJWSA-N 2 0 235.331 -0.336 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000648110073 387162406 /nfs/dbraw/zinc/16/24/06/387162406.db2.gz WYRMTXKMDPIFKS-WGBDABJCSA-N 2 0 235.331 -0.336 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000648110082 387161701 /nfs/dbraw/zinc/16/17/01/387161701.db2.gz YIKRUFUCMBTFCE-DCQANWLSSA-N 2 0 235.331 -0.051 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000648110083 387160939 /nfs/dbraw/zinc/16/09/39/387160939.db2.gz YIKRUFUCMBTFCE-HNCHTBHHSA-N 2 0 235.331 -0.051 20 0 BBADRP C[C@H](C[NH3+])NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648110403 387503850 /nfs/dbraw/zinc/50/38/50/387503850.db2.gz BSNJOVLEPMNBES-SECBINFHSA-N 2 0 233.315 -0.054 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648110446 387503097 /nfs/dbraw/zinc/50/30/97/387503097.db2.gz LFJYJLNYOKACBO-URLYPYJESA-N 2 0 223.320 -0.384 20 0 BBADRP CC(C)([NH3+])CCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000648110582 387595103 /nfs/dbraw/zinc/59/51/03/387595103.db2.gz MYSIPMLBMVMNIS-SECBINFHSA-N 2 0 229.324 -0.310 20 0 BBADRP CC(C)([NH3+])CCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000648110583 387594845 /nfs/dbraw/zinc/59/48/45/387594845.db2.gz MYSIPMLBMVMNIS-VIFPVBQESA-N 2 0 229.324 -0.310 20 0 BBADRP C[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000648110726 487766153 /nfs/dbraw/zinc/76/61/53/487766153.db2.gz ICLLWPLQMBYAEO-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000648110727 397936789 /nfs/dbraw/zinc/93/67/89/397936789.db2.gz ICLLWPLQMBYAEO-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000648110728 397936657 /nfs/dbraw/zinc/93/66/57/397936657.db2.gz ICLLWPLQMBYAEO-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000648110729 397936393 /nfs/dbraw/zinc/93/63/93/397936393.db2.gz ICLLWPLQMBYAEO-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000648110751 386790362 /nfs/dbraw/zinc/79/03/62/386790362.db2.gz MDUGZUQJPVKTFR-GMTAPVOTSA-N 2 0 241.335 -0.487 20 0 BBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000648110752 386794543 /nfs/dbraw/zinc/79/45/43/386794543.db2.gz MDUGZUQJPVKTFR-OUAUKWLOSA-N 2 0 241.335 -0.487 20 0 BBADRP CC1(OCC(=O)NCC2=CC[NH2+]CC2)C[NH2+]C1 ZINC000648111262 387082436 /nfs/dbraw/zinc/08/24/36/387082436.db2.gz BXEWCETYSUAYAC-UHFFFAOYSA-N 2 0 239.319 -0.599 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648111271 487785967 /nfs/dbraw/zinc/78/59/67/487785967.db2.gz CEVRKMNJYQHYPY-MXWKQRLJSA-N 2 0 221.304 -0.227 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000648111299 387094686 /nfs/dbraw/zinc/09/46/86/387094686.db2.gz FOQVCJOZABXODI-NXEZZACHSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000648111300 387094421 /nfs/dbraw/zinc/09/44/21/387094421.db2.gz FOQVCJOZABXODI-UWVGGRQHSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000648111301 387094659 /nfs/dbraw/zinc/09/46/59/387094659.db2.gz FOQVCJOZABXODI-VHSXEESVSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000648111302 387094769 /nfs/dbraw/zinc/09/47/69/387094769.db2.gz FOQVCJOZABXODI-ZJUUUORDSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648111303 387094626 /nfs/dbraw/zinc/09/46/26/387094626.db2.gz FTQHWYCYMRKYEL-FBDQPXRJSA-N 2 0 223.320 -0.434 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648111304 387094531 /nfs/dbraw/zinc/09/45/31/387094531.db2.gz FTQHWYCYMRKYEL-NZFPMDFQSA-N 2 0 223.320 -0.434 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648111305 397952702 /nfs/dbraw/zinc/95/27/02/397952702.db2.gz FTQHWYCYMRKYEL-QUARPLMYSA-N 2 0 223.320 -0.434 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648111306 397952729 /nfs/dbraw/zinc/95/27/29/397952729.db2.gz FTQHWYCYMRKYEL-UVOCVTCTSA-N 2 0 223.320 -0.434 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648111347 387097325 /nfs/dbraw/zinc/09/73/25/387097325.db2.gz IIABIPHZLLINLY-APLZJWDSSA-N 2 0 223.320 -0.149 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648111348 387098647 /nfs/dbraw/zinc/09/86/47/387098647.db2.gz IIABIPHZLLINLY-GEVSDDDWSA-N 2 0 223.320 -0.149 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648111349 387097190 /nfs/dbraw/zinc/09/71/90/387097190.db2.gz IIABIPHZLLINLY-MVCUBJFGSA-N 2 0 223.320 -0.149 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648111350 387098229 /nfs/dbraw/zinc/09/82/29/387098229.db2.gz IIABIPHZLLINLY-UNQZSWDGSA-N 2 0 223.320 -0.149 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648111389 387096013 /nfs/dbraw/zinc/09/60/13/387096013.db2.gz NIMPYBVQJLJADG-URLYPYJESA-N 2 0 221.304 -0.512 20 0 BBADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648119641 387256776 /nfs/dbraw/zinc/25/67/76/387256776.db2.gz MUEKPRJJMYFGOH-DBIOUOCHSA-N 2 0 223.320 -0.005 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000648120088 387270353 /nfs/dbraw/zinc/27/03/53/387270353.db2.gz MPNRVSZIGLEDEJ-AEJSXWLSSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000648120089 387267085 /nfs/dbraw/zinc/26/70/85/387267085.db2.gz MPNRVSZIGLEDEJ-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(OCC(=O)N[C@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000648120214 387266481 /nfs/dbraw/zinc/26/64/81/387266481.db2.gz SKULGUCCKOGPLR-JTQLQIEISA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(OCC(=O)N[C@@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000648120215 387265791 /nfs/dbraw/zinc/26/57/91/387265791.db2.gz SKULGUCCKOGPLR-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648120268 387266856 /nfs/dbraw/zinc/26/68/56/387266856.db2.gz VWQLWVVRUIEVLF-DBIOUOCHSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648120269 387266614 /nfs/dbraw/zinc/26/66/14/387266614.db2.gz VWQLWVVRUIEVLF-YTWAJWBKSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648120302 387267362 /nfs/dbraw/zinc/26/73/62/387267362.db2.gz XOTRBVVQKVFVOI-UKKRHICBSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648120303 387266545 /nfs/dbraw/zinc/26/65/45/387266545.db2.gz XOTRBVVQKVFVOI-ZNSHCXBVSA-N 2 0 223.320 -0.290 20 0 BBADRP CC1(OCC(=O)N2CCC(C)([NH3+])CC2)C[NH2+]C1 ZINC000648121362 387310104 /nfs/dbraw/zinc/31/01/04/387310104.db2.gz GTACRUNGCHTISV-UHFFFAOYSA-N 2 0 241.335 -0.295 20 0 BBADRP CC(C)[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000648121710 387323210 /nfs/dbraw/zinc/32/32/10/387323210.db2.gz SNZWUYVYKNOIBZ-KXNHARMFSA-N 2 0 237.347 -0.092 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000648121844 387341252 /nfs/dbraw/zinc/34/12/52/387341252.db2.gz JYMAWVINTFXPNZ-YYNVLWEHSA-N 2 0 235.331 -0.195 20 0 BBADRP CC1(OCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000648122149 487859672 /nfs/dbraw/zinc/85/96/72/487859672.db2.gz MOLYXRJIOKZXAE-NXEZZACHSA-N 2 0 241.335 -0.249 20 0 BBADRP CC1(OCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C[NH2+]C1 ZINC000648122150 487859658 /nfs/dbraw/zinc/85/96/58/487859658.db2.gz MOLYXRJIOKZXAE-UWVGGRQHSA-N 2 0 241.335 -0.249 20 0 BBADRP CC1(OCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[NH2+]C1 ZINC000648122151 487860402 /nfs/dbraw/zinc/86/04/02/487860402.db2.gz MOLYXRJIOKZXAE-VHSXEESVSA-N 2 0 241.335 -0.249 20 0 BBADRP CC1(OCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000648122152 487859970 /nfs/dbraw/zinc/85/99/70/487859970.db2.gz MOLYXRJIOKZXAE-ZJUUUORDSA-N 2 0 241.335 -0.249 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648122165 487859584 /nfs/dbraw/zinc/85/95/84/487859584.db2.gz MXCDUIRJZBSIHR-APLZJWDSSA-N 2 0 223.320 -0.162 20 0 BBADRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648122166 487859544 /nfs/dbraw/zinc/85/95/44/487859544.db2.gz MXCDUIRJZBSIHR-LADJIXMOSA-N 2 0 223.320 -0.162 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648122167 487860637 /nfs/dbraw/zinc/86/06/37/487860637.db2.gz MXCDUIRJZBSIHR-OGBGREFGSA-N 2 0 223.320 -0.162 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648122168 487860426 /nfs/dbraw/zinc/86/04/26/487860426.db2.gz MXCDUIRJZBSIHR-XXFSISAASA-N 2 0 223.320 -0.162 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123221 387378186 /nfs/dbraw/zinc/37/81/86/387378186.db2.gz PAGBDHLNMIDXBO-AXFHLTTASA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123222 387378458 /nfs/dbraw/zinc/37/84/58/387378458.db2.gz PAGBDHLNMIDXBO-GMTAPVOTSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123223 387377643 /nfs/dbraw/zinc/37/76/43/387377643.db2.gz PAGBDHLNMIDXBO-HBNTYKKESA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123224 387378657 /nfs/dbraw/zinc/37/86/57/387378657.db2.gz PAGBDHLNMIDXBO-MXWKQRLJSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648123615 387398355 /nfs/dbraw/zinc/39/83/55/387398355.db2.gz BRYCJJLNMKXCRI-HWUMTFDVSA-N 2 0 223.320 -0.149 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648123616 387399370 /nfs/dbraw/zinc/39/93/70/387399370.db2.gz BRYCJJLNMKXCRI-ILAIQSSSSA-N 2 0 223.320 -0.149 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648123617 387399141 /nfs/dbraw/zinc/39/91/41/387399141.db2.gz BRYCJJLNMKXCRI-LXUNUROVSA-N 2 0 223.320 -0.149 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648123618 387398322 /nfs/dbraw/zinc/39/83/22/387398322.db2.gz BRYCJJLNMKXCRI-NZFPMDFQSA-N 2 0 223.320 -0.149 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648123668 387400454 /nfs/dbraw/zinc/40/04/54/387400454.db2.gz FEFNIFVCCGHXIU-FBDQPXRJSA-N 2 0 223.320 -0.434 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648123669 387401933 /nfs/dbraw/zinc/40/19/33/387401933.db2.gz FEFNIFVCCGHXIU-NZFPMDFQSA-N 2 0 223.320 -0.434 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648123670 387400835 /nfs/dbraw/zinc/40/08/35/387400835.db2.gz FEFNIFVCCGHXIU-QUARPLMYSA-N 2 0 223.320 -0.434 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648123671 387401040 /nfs/dbraw/zinc/40/10/40/387401040.db2.gz FEFNIFVCCGHXIU-UVOCVTCTSA-N 2 0 223.320 -0.434 20 0 BBADRP O=C([C@H]1COCCN1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123856 387408169 /nfs/dbraw/zinc/40/81/69/387408169.db2.gz KFYDUBBATUZZKH-GARJFASQSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@H]1COCCN1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123857 387410223 /nfs/dbraw/zinc/41/02/23/387410223.db2.gz KFYDUBBATUZZKH-GMTAPVOTSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@H]1COCCN1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123858 387407848 /nfs/dbraw/zinc/40/78/48/387407848.db2.gz KFYDUBBATUZZKH-HBNTYKKESA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@H]1COCCN1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123859 387408228 /nfs/dbraw/zinc/40/82/28/387408228.db2.gz KFYDUBBATUZZKH-OUAUKWLOSA-N 2 0 239.319 -0.815 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648124057 387422323 /nfs/dbraw/zinc/42/23/23/387422323.db2.gz PGPJLWZCJGGJJD-JCIQBVFBSA-N 2 0 235.331 -0.053 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648124058 387421424 /nfs/dbraw/zinc/42/14/24/387421424.db2.gz PGPJLWZCJGGJJD-KNZXXDILSA-N 2 0 235.331 -0.053 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648124059 387422126 /nfs/dbraw/zinc/42/21/26/387422126.db2.gz PGPJLWZCJGGJJD-MTVMDMGHSA-N 2 0 235.331 -0.053 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648124060 387422402 /nfs/dbraw/zinc/42/24/02/387422402.db2.gz PGPJLWZCJGGJJD-PZWNZHSQSA-N 2 0 235.331 -0.053 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000648124165 387429841 /nfs/dbraw/zinc/42/98/41/387429841.db2.gz SKACKZGLPLRQCZ-BFLSOPEQSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000648124166 387430030 /nfs/dbraw/zinc/43/00/30/387430030.db2.gz SKACKZGLPLRQCZ-SVDPJWKOSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000648124167 387429613 /nfs/dbraw/zinc/42/96/13/387429613.db2.gz SKACKZGLPLRQCZ-WYFGTUCQSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000648124168 387429525 /nfs/dbraw/zinc/42/95/25/387429525.db2.gz SKACKZGLPLRQCZ-XNDJQWLSSA-N 2 0 223.320 -0.147 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124181 387429735 /nfs/dbraw/zinc/42/97/35/387429735.db2.gz SUGUTMWXMKIDFJ-CHWFTXMASA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124182 387430202 /nfs/dbraw/zinc/43/02/02/387430202.db2.gz SUGUTMWXMKIDFJ-MMWGEVLESA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000648124183 387429533 /nfs/dbraw/zinc/42/95/33/387429533.db2.gz SUGUTMWXMKIDFJ-UKKRHICBSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000648124184 387430210 /nfs/dbraw/zinc/43/02/10/387430210.db2.gz SUGUTMWXMKIDFJ-ZNSHCXBVSA-N 2 0 223.320 -0.066 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648124281 387434496 /nfs/dbraw/zinc/43/44/96/387434496.db2.gz WQTSFIYQACPAJO-GCHJQGSQSA-N 2 0 235.331 -0.338 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648124282 387435228 /nfs/dbraw/zinc/43/52/28/387435228.db2.gz WQTSFIYQACPAJO-HHHUOAJASA-N 2 0 235.331 -0.338 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648124283 387434882 /nfs/dbraw/zinc/43/48/82/387434882.db2.gz WQTSFIYQACPAJO-PREPNJAASA-N 2 0 235.331 -0.338 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648124284 387435903 /nfs/dbraw/zinc/43/59/03/387435903.db2.gz WQTSFIYQACPAJO-ZIQFBCGOSA-N 2 0 235.331 -0.338 20 0 BBADRP CC1(NC(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000648126464 383992545 /nfs/dbraw/zinc/99/25/45/383992545.db2.gz KBOCUDWVYPNJQG-VIFPVBQESA-N 2 0 227.308 -0.767 20 0 BBADRP CC1(OCC(=O)NC2(C)CC[NH2+]CC2)C[NH2+]C1 ZINC000648127066 383999749 /nfs/dbraw/zinc/99/97/49/383999749.db2.gz ABGDMLBIQATIAR-UHFFFAOYSA-N 2 0 241.335 -0.377 20 0 BBADRP CC1(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]CC1 ZINC000648127136 384017050 /nfs/dbraw/zinc/01/70/50/384017050.db2.gz OLIAEDTVPLLDGY-MYJAWHEDSA-N 2 0 223.320 -0.290 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)COC2(C)C[NH2+]C2)[C@@H]1C ZINC000648127645 384053963 /nfs/dbraw/zinc/05/39/63/384053963.db2.gz BIPZLTVPQRLKRT-NXEZZACHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)COC2(C)C[NH2+]C2)[C@H]1C ZINC000648127646 384053267 /nfs/dbraw/zinc/05/32/67/384053267.db2.gz BIPZLTVPQRLKRT-UWVGGRQHSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000648127647 384053630 /nfs/dbraw/zinc/05/36/30/384053630.db2.gz BIPZLTVPQRLKRT-VHSXEESVSA-N 2 0 241.335 -0.426 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)COC2(C)C[NH2+]C2)[C@H]1C ZINC000648127648 384053333 /nfs/dbraw/zinc/05/33/33/384053333.db2.gz BIPZLTVPQRLKRT-ZJUUUORDSA-N 2 0 241.335 -0.426 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000648127669 384053231 /nfs/dbraw/zinc/05/32/31/384053231.db2.gz GOOZKJCIFRTHMQ-AEJSXWLSSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000648127670 384054716 /nfs/dbraw/zinc/05/47/16/384054716.db2.gz GOOZKJCIFRTHMQ-BBBLOLIVSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000648127671 384052939 /nfs/dbraw/zinc/05/29/39/384052939.db2.gz GOOZKJCIFRTHMQ-GUBZILKMSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000648127672 384053453 /nfs/dbraw/zinc/05/34/53/384053453.db2.gz GOOZKJCIFRTHMQ-UTLUCORTSA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1C ZINC000648127739 384053671 /nfs/dbraw/zinc/05/36/71/384053671.db2.gz VZZWZKGBQLIXLA-APLZJWDSSA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]1C ZINC000648127740 384055049 /nfs/dbraw/zinc/05/50/49/384055049.db2.gz VZZWZKGBQLIXLA-LADJIXMOSA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648127741 384053638 /nfs/dbraw/zinc/05/36/38/384053638.db2.gz VZZWZKGBQLIXLA-OGBGREFGSA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]1C ZINC000648127742 384053020 /nfs/dbraw/zinc/05/30/20/384053020.db2.gz VZZWZKGBQLIXLA-XXFSISAASA-N 2 0 223.320 -0.339 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648128120 491084806 /nfs/dbraw/zinc/08/48/06/491084806.db2.gz FUDVXPMMDCAWTR-HWUMTFDVSA-N 2 0 223.320 -0.007 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648128460 397924694 /nfs/dbraw/zinc/92/46/94/397924694.db2.gz UWUWUVZELSEAJK-QUARPLMYSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000648128554 397924647 /nfs/dbraw/zinc/92/46/47/397924647.db2.gz YBQZYOKKEGYJSF-UWVGGRQHSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000648128677 384074729 /nfs/dbraw/zinc/07/47/29/384074729.db2.gz HYPMARCPXRBZNZ-APLZJWDSSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000648128678 384074779 /nfs/dbraw/zinc/07/47/79/384074779.db2.gz HYPMARCPXRBZNZ-LADJIXMOSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000648128679 384075913 /nfs/dbraw/zinc/07/59/13/384075913.db2.gz HYPMARCPXRBZNZ-OGBGREFGSA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000648128680 384075984 /nfs/dbraw/zinc/07/59/84/384075984.db2.gz HYPMARCPXRBZNZ-XXFSISAASA-N 2 0 223.320 -0.292 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648128695 384075031 /nfs/dbraw/zinc/07/50/31/384075031.db2.gz IWTBFLXGCUQPPV-SECBINFHSA-N 2 0 233.315 -0.054 20 0 BBADRP C[C@H]([NH3+])CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648128696 384075264 /nfs/dbraw/zinc/07/52/64/384075264.db2.gz IWTBFLXGCUQPPV-VIFPVBQESA-N 2 0 233.315 -0.054 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]1 ZINC000648128835 384071732 /nfs/dbraw/zinc/07/17/32/384071732.db2.gz SVRUBCRCTXPGBL-HWUMTFDVSA-N 2 0 223.320 -0.007 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]1 ZINC000648128836 384072399 /nfs/dbraw/zinc/07/23/99/384072399.db2.gz SVRUBCRCTXPGBL-ILAIQSSSSA-N 2 0 223.320 -0.007 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]1 ZINC000648128837 384072177 /nfs/dbraw/zinc/07/21/77/384072177.db2.gz SVRUBCRCTXPGBL-LXUNUROVSA-N 2 0 223.320 -0.007 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]1 ZINC000648128838 384072386 /nfs/dbraw/zinc/07/23/86/384072386.db2.gz SVRUBCRCTXPGBL-NZFPMDFQSA-N 2 0 223.320 -0.007 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[NH2+]1 ZINC000648128880 384080213 /nfs/dbraw/zinc/08/02/13/384080213.db2.gz WLLSQRPNNSEGKM-NXEZZACHSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)COC2(C)C[NH2+]C2)CC[NH2+]1 ZINC000648128881 384079299 /nfs/dbraw/zinc/07/92/99/384079299.db2.gz WLLSQRPNNSEGKM-UWVGGRQHSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[NH2+]1 ZINC000648128882 384080563 /nfs/dbraw/zinc/08/05/63/384080563.db2.gz WLLSQRPNNSEGKM-VHSXEESVSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)COC2(C)C[NH2+]C2)CC[NH2+]1 ZINC000648128883 384081542 /nfs/dbraw/zinc/08/15/42/384081542.db2.gz WLLSQRPNNSEGKM-ZJUUUORDSA-N 2 0 241.335 -0.378 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)COC1(C)C[NH2+]C1 ZINC000648129575 384088729 /nfs/dbraw/zinc/08/87/29/384088729.db2.gz KQEYDTVGEQOSCZ-SECBINFHSA-N 2 0 229.324 -0.521 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648130947 384090688 /nfs/dbraw/zinc/09/06/88/384090688.db2.gz NAGNGRKGHUKOLO-FYLLDIAZSA-N 2 0 223.320 -0.351 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648130948 384090987 /nfs/dbraw/zinc/09/09/87/384090987.db2.gz NAGNGRKGHUKOLO-XNDJQWLSSA-N 2 0 223.320 -0.351 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648131062 384090991 /nfs/dbraw/zinc/09/09/91/384090991.db2.gz YCCVOABLTOCPAO-MWGHHZFTSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648131063 384090905 /nfs/dbraw/zinc/09/09/05/384090905.db2.gz YCCVOABLTOCPAO-SVDPJWKOSA-N 2 0 223.320 -0.066 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648132179 384111750 /nfs/dbraw/zinc/11/17/50/384111750.db2.gz QGLSLIDMYYJVJV-LPEHRKFASA-N 2 0 229.299 -0.103 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648132257 384112453 /nfs/dbraw/zinc/11/24/53/384112453.db2.gz WWXKYLKJPFUVOH-LADJIXMOSA-N 2 0 241.310 -0.390 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648132359 384114885 /nfs/dbraw/zinc/11/48/85/384114885.db2.gz FWMGNKYRZRVJOW-QEYWKRMJSA-N 2 0 229.299 -0.118 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648136189 384155901 /nfs/dbraw/zinc/15/59/01/384155901.db2.gz FBSBIIRKDYNJSG-MRVPVSSYSA-N 2 0 235.278 -0.091 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648136190 384154827 /nfs/dbraw/zinc/15/48/27/384154827.db2.gz FBSBIIRKDYNJSG-QMMMGPOBSA-N 2 0 235.278 -0.091 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)COCC[NH3+] ZINC000648136382 384156021 /nfs/dbraw/zinc/15/60/21/384156021.db2.gz BIBPZADMEMOOJY-FXPVBKGRSA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)COCC[NH3+] ZINC000648136383 384155667 /nfs/dbraw/zinc/15/56/67/384155667.db2.gz BIBPZADMEMOOJY-KKZNHRDASA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)COCC[NH3+] ZINC000648136384 384154794 /nfs/dbraw/zinc/15/47/94/384154794.db2.gz BIBPZADMEMOOJY-WCABBAIRSA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)COCC[NH3+] ZINC000648136385 384156074 /nfs/dbraw/zinc/15/60/74/384156074.db2.gz BIBPZADMEMOOJY-YWVKMMECSA-N 2 0 229.324 -0.536 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648136763 384157631 /nfs/dbraw/zinc/15/76/31/384157631.db2.gz KTGCRLKXOVSAAO-KVJUNOMYSA-N 2 0 237.347 -0.046 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648136764 384158553 /nfs/dbraw/zinc/15/85/53/384158553.db2.gz KTGCRLKXOVSAAO-NAFSEIKSSA-N 2 0 237.347 -0.046 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648136765 384158161 /nfs/dbraw/zinc/15/81/61/384158161.db2.gz KTGCRLKXOVSAAO-UCFKJQRDSA-N 2 0 237.347 -0.046 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648136766 384158692 /nfs/dbraw/zinc/15/86/92/384158692.db2.gz KTGCRLKXOVSAAO-UFVWWTPHSA-N 2 0 237.347 -0.046 20 0 BBADRP [NH3+]CCOCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000648136860 384157917 /nfs/dbraw/zinc/15/79/17/384157917.db2.gz ZCJGXNBBPPUWOB-JTQLQIEISA-N 2 0 229.324 -0.308 20 0 BBADRP [NH3+]CCOCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000648136861 384158017 /nfs/dbraw/zinc/15/80/17/384158017.db2.gz ZCJGXNBBPPUWOB-SNVBAGLBSA-N 2 0 229.324 -0.308 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000648137897 384159502 /nfs/dbraw/zinc/15/95/02/384159502.db2.gz SRKQGOHCAAXAJR-IUCAKERBSA-N 2 0 227.308 -0.687 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000648139367 384167978 /nfs/dbraw/zinc/16/79/78/384167978.db2.gz BELUKWSZEHTRSO-DBIOUOCHSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000648139368 384167117 /nfs/dbraw/zinc/16/71/17/384167117.db2.gz BELUKWSZEHTRSO-UKKRHICBSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000648139369 384167620 /nfs/dbraw/zinc/16/76/20/384167620.db2.gz BELUKWSZEHTRSO-XWLWVQCSSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000648139370 384166606 /nfs/dbraw/zinc/16/66/06/384166606.db2.gz BELUKWSZEHTRSO-ZNSHCXBVSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+]C1CCC(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000648139903 384168523 /nfs/dbraw/zinc/16/85/23/384168523.db2.gz MCKCIBLADOTKSV-AUYFUSPOSA-N 2 0 223.320 -0.162 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000648139911 384168988 /nfs/dbraw/zinc/16/89/88/384168988.db2.gz MLTNOPLFCGDFJT-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000648139912 384169173 /nfs/dbraw/zinc/16/91/73/384169173.db2.gz MLTNOPLFCGDFJT-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1C ZINC000648140195 384166537 /nfs/dbraw/zinc/16/65/37/384166537.db2.gz HQMNXNYDYXJWBY-APLZJWDSSA-N 2 0 223.320 -0.339 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000648140220 384167218 /nfs/dbraw/zinc/16/72/18/384167218.db2.gz IITJRGQYKAQESL-FYLLDIAZSA-N 2 0 239.319 -0.911 20 0 BBADRP COC[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000648140222 384166597 /nfs/dbraw/zinc/16/65/97/384166597.db2.gz IITJRGQYKAQESL-XNDJQWLSSA-N 2 0 239.319 -0.911 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000648140371 384169247 /nfs/dbraw/zinc/16/92/47/384169247.db2.gz QKQCZTTVJLNDAM-LADJIXMOSA-N 2 0 223.320 -0.305 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000648140372 384169166 /nfs/dbraw/zinc/16/91/66/384169166.db2.gz QKQCZTTVJLNDAM-OGBGREFGSA-N 2 0 223.320 -0.305 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[NH2+]CCC1(F)F ZINC000648140490 384169783 /nfs/dbraw/zinc/16/97/83/384169783.db2.gz WUJKKADBWZEMDX-UYXSQOIJSA-N 2 0 245.273 -0.435 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[NH2+]CCC1(F)F ZINC000648140491 384168999 /nfs/dbraw/zinc/16/89/99/384168999.db2.gz WUJKKADBWZEMDX-XAVMHZPKSA-N 2 0 245.273 -0.435 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000648140684 384169707 /nfs/dbraw/zinc/16/97/07/384169707.db2.gz GTMQSBSNFOKXDW-AEJSXWLSSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000648140685 384170775 /nfs/dbraw/zinc/17/07/75/384170775.db2.gz GTMQSBSNFOKXDW-KXUCPTDWSA-N 2 0 223.320 -0.018 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648140771 384170895 /nfs/dbraw/zinc/17/08/95/384170895.db2.gz KLWCFMODRFWPCX-RXKWGBCNSA-N 2 0 227.283 -0.732 20 0 BBADRP CC1(OCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C[NH2+]C1 ZINC000648140798 384172038 /nfs/dbraw/zinc/17/20/38/384172038.db2.gz LQOQKTVDNGGQDX-IUCAKERBSA-N 2 0 245.298 -0.819 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648140844 384171060 /nfs/dbraw/zinc/17/10/60/384171060.db2.gz NEPYGHHFWXVYQF-KBDSZGMXSA-N 2 0 227.283 -0.447 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648140871 384171121 /nfs/dbraw/zinc/17/11/21/384171121.db2.gz OBMBLOVYPQKUSP-YUMQZZPRSA-N 2 0 238.266 -0.076 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648140928 384171737 /nfs/dbraw/zinc/17/17/37/384171737.db2.gz RDBFKUOKECKVQH-CHWFTXMASA-N 2 0 235.331 -0.005 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648140929 384171271 /nfs/dbraw/zinc/17/12/71/384171271.db2.gz RDBFKUOKECKVQH-ZNSHCXBVSA-N 2 0 235.331 -0.005 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648141049 384170521 /nfs/dbraw/zinc/17/05/21/384170521.db2.gz ZAYPUHOZTCLIAI-YTWAJWBKSA-N 2 0 235.331 -0.290 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648141050 384170739 /nfs/dbraw/zinc/17/07/39/384170739.db2.gz ZAYPUHOZTCLIAI-ZRUFSTJUSA-N 2 0 235.331 -0.290 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000648141213 384169209 /nfs/dbraw/zinc/16/92/09/384169209.db2.gz OGYFAXZAFDQHBW-GARJFASQSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000648141214 384169823 /nfs/dbraw/zinc/16/98/23/384169823.db2.gz OGYFAXZAFDQHBW-GMTAPVOTSA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000648141215 384169295 /nfs/dbraw/zinc/16/92/95/384169295.db2.gz OGYFAXZAFDQHBW-HBNTYKKESA-N 2 0 223.320 -0.051 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000648141216 384168951 /nfs/dbraw/zinc/16/89/51/384168951.db2.gz OGYFAXZAFDQHBW-OUAUKWLOSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000648141266 384171771 /nfs/dbraw/zinc/17/17/71/384171771.db2.gz XGCXUBDPYXPVLY-MAUMQABQSA-N 2 0 215.272 -0.460 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000648141375 384172086 /nfs/dbraw/zinc/17/20/86/384172086.db2.gz FQZQYULPHXABBG-KQSJRHEJSA-N 2 0 235.331 -0.053 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000648141376 384171858 /nfs/dbraw/zinc/17/18/58/384171858.db2.gz FQZQYULPHXABBG-MJDLHHQISA-N 2 0 235.331 -0.053 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000648141377 384170644 /nfs/dbraw/zinc/17/06/44/384170644.db2.gz FQZQYULPHXABBG-OOCWMUITSA-N 2 0 235.331 -0.053 20 0 BBADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000648141378 384170638 /nfs/dbraw/zinc/17/06/38/384170638.db2.gz FQZQYULPHXABBG-ZIQFBCGOSA-N 2 0 235.331 -0.053 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000648141527 384171940 /nfs/dbraw/zinc/17/19/40/384171940.db2.gz XNNAPMILTQEMSH-GCHJQGSQSA-N 2 0 235.331 -0.338 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000648141528 384172090 /nfs/dbraw/zinc/17/20/90/384172090.db2.gz XNNAPMILTQEMSH-HHHUOAJASA-N 2 0 235.331 -0.338 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000648141529 384171853 /nfs/dbraw/zinc/17/18/53/384171853.db2.gz XNNAPMILTQEMSH-PREPNJAASA-N 2 0 235.331 -0.338 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000648141530 384170608 /nfs/dbraw/zinc/17/06/08/384170608.db2.gz XNNAPMILTQEMSH-ZIQFBCGOSA-N 2 0 235.331 -0.338 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000648141594 384171259 /nfs/dbraw/zinc/17/12/59/384171259.db2.gz LQFAVKQLJZFDBI-UHFFFAOYSA-N 2 0 243.351 -0.001 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000648142406 384173070 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-0.305 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000648144549 384264318 /nfs/dbraw/zinc/26/43/18/384264318.db2.gz PZSSXICUSZVGTQ-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000648144550 384266034 /nfs/dbraw/zinc/26/60/34/384266034.db2.gz PZSSXICUSZVGTQ-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000648145063 384441331 /nfs/dbraw/zinc/44/13/31/384441331.db2.gz AQGVBBDZRDTQTG-HTQZYQBOSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@H](C)[NH3+] ZINC000648145064 384442338 /nfs/dbraw/zinc/44/23/38/384442338.db2.gz AQGVBBDZRDTQTG-JGVFFNPUSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000648145065 384441526 /nfs/dbraw/zinc/44/15/26/384441526.db2.gz AQGVBBDZRDTQTG-SFYZADRCSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000648145066 384441747 /nfs/dbraw/zinc/44/17/47/384441747.db2.gz AQGVBBDZRDTQTG-YUMQZZPRSA-N 2 0 215.297 -0.783 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)COC1(C)C[NH2+]C1 ZINC000648145917 397957394 /nfs/dbraw/zinc/95/73/94/397957394.db2.gz ZYABCIDUIAOUAT-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)COC1(C)C[NH2+]C1 ZINC000648145918 397957389 /nfs/dbraw/zinc/95/73/89/397957389.db2.gz ZYABCIDUIAOUAT-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(F)F ZINC000648145943 384456931 /nfs/dbraw/zinc/45/69/31/384456931.db2.gz CIPRAITWUTVMSZ-CWKFCGSDSA-N 2 0 233.262 -0.450 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(F)F ZINC000648145944 384456117 /nfs/dbraw/zinc/45/61/17/384456117.db2.gz CIPRAITWUTVMSZ-FKSUSPILSA-N 2 0 233.262 -0.450 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C(F)F ZINC000648145996 384455287 /nfs/dbraw/zinc/45/52/87/384455287.db2.gz KXMYDARWSWNHTI-CWKFCGSDSA-N 2 0 233.262 -0.165 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C(F)F ZINC000648145997 384457533 /nfs/dbraw/zinc/45/75/33/384457533.db2.gz KXMYDARWSWNHTI-XUTVFYLZSA-N 2 0 233.262 -0.165 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)C(F)F ZINC000648146018 384460380 /nfs/dbraw/zinc/46/03/80/384460380.db2.gz MIQYNGRQIZLTDP-FWWHASMVSA-N 2 0 233.262 -0.163 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)C(F)F ZINC000648146019 384459825 /nfs/dbraw/zinc/45/98/25/384459825.db2.gz MIQYNGRQIZLTDP-XSSZXYGBSA-N 2 0 233.262 -0.163 20 0 BBADRP CN(C(=O)COC1(C)C[NH2+]C1)C1CC([NH3+])C1 ZINC000648146732 384494745 /nfs/dbraw/zinc/49/47/45/384494745.db2.gz BFWVTSNMSUSHDO-UHFFFAOYSA-N 2 0 227.308 -0.687 20 0 BBADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC([NH3+])C1 ZINC000648146759 384495305 /nfs/dbraw/zinc/49/53/05/384495305.db2.gz JGXNXWHCOLTQDP-CCMGBERRSA-N 2 0 209.293 -0.600 20 0 BBADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)C1CC([NH3+])C1 ZINC000648146760 384494602 /nfs/dbraw/zinc/49/46/02/384494602.db2.gz JSHRXFBZAPUUBY-AMDVSUOASA-N 2 0 211.309 -0.068 20 0 BBADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)C1CC([NH3+])C1 ZINC000648146761 384496104 /nfs/dbraw/zinc/49/61/04/384496104.db2.gz JSHRXFBZAPUUBY-HACHORDNSA-N 2 0 211.309 -0.068 20 0 BBADRP CN(C(=O)COCC[NH3+])C1(C[NH3+])CCC1 ZINC000648147052 384504050 /nfs/dbraw/zinc/50/40/50/384504050.db2.gz AMTMOWNHEQPXJY-UHFFFAOYSA-N 2 0 215.297 -0.699 20 0 BBADRP COCC[NH2+]CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000648147061 384503803 /nfs/dbraw/zinc/50/38/03/384503803.db2.gz DENRJLJKUCAJSB-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)C1(C[NH3+])CCC1 ZINC000648147091 384503347 /nfs/dbraw/zinc/50/33/47/384503347.db2.gz NGBHWXVHHOEFSV-VIFPVBQESA-N 2 0 227.308 -0.685 20 0 BBADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1(C[NH3+])CCC1 ZINC000648147205 384520515 /nfs/dbraw/zinc/52/05/15/384520515.db2.gz BTOURRQXRNSWCE-MYJAWHEDSA-N 2 0 223.320 -0.208 20 0 BBADRP CN(C(=O)COC1(C)C[NH2+]C1)C1(C[NH3+])CCC1 ZINC000648147213 384517908 /nfs/dbraw/zinc/51/79/08/384517908.db2.gz DXMIKMLXRXSMHN-UHFFFAOYSA-N 2 0 241.335 -0.295 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648148049 384830695 /nfs/dbraw/zinc/83/06/95/384830695.db2.gz BINDLJRCIIJQKA-YTWAJWBKSA-N 2 0 237.347 -0.044 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648148050 384831426 /nfs/dbraw/zinc/83/14/26/384831426.db2.gz BINDLJRCIIJQKA-ZRUFSTJUSA-N 2 0 237.347 -0.044 20 0 BBADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000648148098 384829009 /nfs/dbraw/zinc/82/90/09/384829009.db2.gz GPSXAEOQQVSCKG-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CC(C)([NH3+])CCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000648148099 384830296 /nfs/dbraw/zinc/83/02/96/384830296.db2.gz GPSXAEOQQVSCKG-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCC1 ZINC000648148100 384828852 /nfs/dbraw/zinc/82/88/52/384828852.db2.gz GQIQTSQSSQXWTJ-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCCC1 ZINC000648148101 384829110 /nfs/dbraw/zinc/82/91/10/384829110.db2.gz GQIQTSQSSQXWTJ-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCCC[NH2+]1 ZINC000648148154 384838293 /nfs/dbraw/zinc/83/82/93/384838293.db2.gz MFSDZLAQHLPONW-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCC[NH2+]1 ZINC000648148155 384838081 /nfs/dbraw/zinc/83/80/81/384838081.db2.gz MFSDZLAQHLPONW-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648148276 384852824 /nfs/dbraw/zinc/85/28/24/384852824.db2.gz ZRNFYGSTGACKHK-DBIOUOCHSA-N 2 0 239.319 -0.769 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648148277 384850696 /nfs/dbraw/zinc/85/06/96/384850696.db2.gz ZRNFYGSTGACKHK-YTWAJWBKSA-N 2 0 239.319 -0.769 20 0 BBADRP CC1(OCC(=O)N[C@@H]2CC[NH2+]C2(C)C)C[NH2+]C1 ZINC000648148372 384993990 /nfs/dbraw/zinc/99/39/90/384993990.db2.gz AMRKGEGGSSJXIU-SECBINFHSA-N 2 0 241.335 -0.378 20 0 BBADRP CC1(OCC(=O)N[C@H]2CC[NH2+]C2(C)C)C[NH2+]C1 ZINC000648148373 384995678 /nfs/dbraw/zinc/99/56/78/384995678.db2.gz AMRKGEGGSSJXIU-VIFPVBQESA-N 2 0 241.335 -0.378 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648148415 385000098 /nfs/dbraw/zinc/00/00/98/385000098.db2.gz DTHYDUQEAZTRML-PREPNJAASA-N 2 0 235.331 -0.338 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648148481 384998880 /nfs/dbraw/zinc/99/88/80/384998880.db2.gz JYLYTRISXCFGAI-QCLAVDOMSA-N 2 0 223.320 -0.292 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648148482 384997820 /nfs/dbraw/zinc/99/78/20/384997820.db2.gz JYLYTRISXCFGAI-RGOKHQFPSA-N 2 0 223.320 -0.292 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000648148495 384999919 /nfs/dbraw/zinc/99/99/19/384999919.db2.gz KMMWHYCMEWCBKS-DTWKUNHWSA-N 2 0 227.308 -0.769 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000648148496 384997349 /nfs/dbraw/zinc/99/73/49/384997349.db2.gz KMMWHYCMEWCBKS-IUCAKERBSA-N 2 0 227.308 -0.769 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000648148506 384999934 /nfs/dbraw/zinc/99/99/34/384999934.db2.gz LKMRKXWJDHNEET-AEJSXWLSSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000648148507 385000396 /nfs/dbraw/zinc/00/03/96/385000396.db2.gz LKMRKXWJDHNEET-KXUCPTDWSA-N 2 0 227.308 -0.782 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)COCC[NH3+] ZINC000648148510 384999845 /nfs/dbraw/zinc/99/98/45/384999845.db2.gz LNKZBNIPOZQSFE-MRVPVSSYSA-N 2 0 215.297 -0.782 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)COCC[NH3+] ZINC000648148511 384999986 /nfs/dbraw/zinc/99/99/86/384999986.db2.gz LNKZBNIPOZQSFE-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP CC1(OCC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000648148536 385002135 /nfs/dbraw/zinc/00/21/35/385002135.db2.gz OGZAGSHCVURVET-NXEZZACHSA-N 2 0 241.335 -0.392 20 0 BBADRP CC1(OCC(=O)N[C@H]2CC[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000648148537 385001559 /nfs/dbraw/zinc/00/15/59/385001559.db2.gz OGZAGSHCVURVET-UWVGGRQHSA-N 2 0 241.335 -0.392 20 0 BBADRP CC1(OCC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000648148538 385001902 /nfs/dbraw/zinc/00/19/02/385001902.db2.gz OGZAGSHCVURVET-VHSXEESVSA-N 2 0 241.335 -0.392 20 0 BBADRP CC1(OCC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000648148539 385002206 /nfs/dbraw/zinc/00/22/06/385002206.db2.gz OGZAGSHCVURVET-ZJUUUORDSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648148546 385001664 /nfs/dbraw/zinc/00/16/64/385001664.db2.gz OLNIYWOJWRROAF-HWUMTFDVSA-N 2 0 223.320 -0.020 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648148547 385002070 /nfs/dbraw/zinc/00/20/70/385002070.db2.gz OLNIYWOJWRROAF-ILAIQSSSSA-N 2 0 223.320 -0.020 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648148548 385001835 /nfs/dbraw/zinc/00/18/35/385001835.db2.gz OLNIYWOJWRROAF-LXUNUROVSA-N 2 0 223.320 -0.020 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648148549 385001551 /nfs/dbraw/zinc/00/15/51/385001551.db2.gz OLNIYWOJWRROAF-NZFPMDFQSA-N 2 0 223.320 -0.020 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648148600 385006168 /nfs/dbraw/zinc/00/61/68/385006168.db2.gz QTXJQQWITOLLNQ-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648148608 385009570 /nfs/dbraw/zinc/00/95/70/385009570.db2.gz RITNYGWCYILJSI-AXFHLTTASA-N 2 0 239.319 -0.815 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648148615 385010523 /nfs/dbraw/zinc/01/05/23/385010523.db2.gz SFDIFMONRLUCMO-IVZWLZJFSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648148616 385010250 /nfs/dbraw/zinc/01/02/50/385010250.db2.gz SFDIFMONRLUCMO-LPEHRKFASA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000648148648 385013296 /nfs/dbraw/zinc/01/32/96/385013296.db2.gz UPDMQMPCEVMCFA-BDAKNGLRSA-N 2 0 211.309 -0.005 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000648148649 385012365 /nfs/dbraw/zinc/01/23/65/385012365.db2.gz UPDMQMPCEVMCFA-RKDXNWHRSA-N 2 0 211.309 -0.005 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648148658 385012899 /nfs/dbraw/zinc/01/28/99/385012899.db2.gz VJRJPSKYVHZPEO-APLZJWDSSA-N 2 0 223.320 -0.305 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648148659 385012455 /nfs/dbraw/zinc/01/24/55/385012455.db2.gz VJRJPSKYVHZPEO-LADJIXMOSA-N 2 0 223.320 -0.305 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648148660 385013324 /nfs/dbraw/zinc/01/33/24/385013324.db2.gz VJRJPSKYVHZPEO-OGBGREFGSA-N 2 0 223.320 -0.305 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648148661 385013257 /nfs/dbraw/zinc/01/32/57/385013257.db2.gz VJRJPSKYVHZPEO-XXFSISAASA-N 2 0 223.320 -0.305 20 0 BBADRP O=C([C@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648148668 385014307 /nfs/dbraw/zinc/01/43/07/385014307.db2.gz VUZMANBTWLZQHI-HBNTYKKESA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648148697 385008529 /nfs/dbraw/zinc/00/85/29/385008529.db2.gz XWQQEHRVCDXNLM-VHSXEESVSA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648148720 385021082 /nfs/dbraw/zinc/02/10/82/385021082.db2.gz ZFMGGODPNHKLRT-IMSYWVGJSA-N 2 0 209.293 -0.456 20 0 BBADRP CC1(C)CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000648148763 385260536 /nfs/dbraw/zinc/26/05/36/385260536.db2.gz BZGKRKPBLIHIOH-MYJAWHEDSA-N 2 0 223.320 -0.338 20 0 BBADRP CC1(C)CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]1 ZINC000648148766 385258758 /nfs/dbraw/zinc/25/87/58/385258758.db2.gz DJDPFOJKJORKDV-BBBLOLIVSA-N 2 0 223.320 -0.053 20 0 BBADRP CC1(OCC(=O)N2CC[NH2+]C(C)(C)C2)C[NH2+]C1 ZINC000648148839 385255670 /nfs/dbraw/zinc/25/56/70/385255670.db2.gz WOWXCQOBQYGDSV-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648152596 385294451 /nfs/dbraw/zinc/29/44/51/385294451.db2.gz KDWXTAQALITTCX-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648152657 385295468 /nfs/dbraw/zinc/29/54/68/385295468.db2.gz RMZJTMHJFKNAPL-PHIMTYICSA-N 2 0 243.351 -0.240 20 0 BBADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)COCC[NH3+] ZINC000648155642 384731610 /nfs/dbraw/zinc/73/16/10/384731610.db2.gz XKDTYHIBROGEQF-LLVKDONJSA-N 2 0 243.351 -0.240 20 0 BBADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COCC[NH3+] ZINC000648155643 384731084 /nfs/dbraw/zinc/73/10/84/384731084.db2.gz XKDTYHIBROGEQF-NSHDSACASA-N 2 0 243.351 -0.240 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648159812 384859845 /nfs/dbraw/zinc/85/98/45/384859845.db2.gz JEITUUQWJSRPJI-MXWKQRLJSA-N 2 0 241.335 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000648162422 384888672 /nfs/dbraw/zinc/88/86/72/384888672.db2.gz FYTQZZXAFSSBBN-LLVKDONJSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000648162423 384889915 /nfs/dbraw/zinc/88/99/15/384889915.db2.gz FYTQZZXAFSSBBN-NSHDSACASA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000648162557 384889292 /nfs/dbraw/zinc/88/92/92/384889292.db2.gz UYGAJBRSIUXSIB-JTQLQIEISA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000648162558 384889941 /nfs/dbraw/zinc/88/99/41/384889941.db2.gz UYGAJBRSIUXSIB-SNVBAGLBSA-N 2 0 211.309 -0.051 20 0 BBADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H](C[NH3+])C1CC1 ZINC000648176698 384500201 /nfs/dbraw/zinc/50/02/01/384500201.db2.gz JALKELDQWALJAU-YTWAJWBKSA-N 2 0 223.320 -0.353 20 0 BBADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H](C[NH3+])C1CC1 ZINC000648176699 384499709 /nfs/dbraw/zinc/49/97/09/384499709.db2.gz JALKELDQWALJAU-ZRUFSTJUSA-N 2 0 223.320 -0.353 20 0 BBADRP CN(C(=O)[C@H]1CCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000648177014 384515913 /nfs/dbraw/zinc/51/59/13/384515913.db2.gz XLVLPTXDOHPAPR-NXEZZACHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000648177015 384515928 /nfs/dbraw/zinc/51/59/28/384515928.db2.gz XLVLPTXDOHPAPR-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000648177072 384535747 /nfs/dbraw/zinc/53/57/47/384535747.db2.gz BTKFXFFPKFEOPY-DTWKUNHWSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000648177073 384537996 /nfs/dbraw/zinc/53/79/96/384537996.db2.gz BTKFXFFPKFEOPY-IUCAKERBSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000648177123 384539466 /nfs/dbraw/zinc/53/94/66/384539466.db2.gz JEFYXZJZQWEHEM-SECBINFHSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000648177124 384540078 /nfs/dbraw/zinc/54/00/78/384540078.db2.gz JEFYXZJZQWEHEM-VIFPVBQESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000648177148 384540530 /nfs/dbraw/zinc/54/05/30/384540530.db2.gz LOIUWSPZGSVTTM-NXEZZACHSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000648177149 384539648 /nfs/dbraw/zinc/53/96/48/384539648.db2.gz LOIUWSPZGSVTTM-UWVGGRQHSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000648177150 384539945 /nfs/dbraw/zinc/53/99/45/384539945.db2.gz LOIUWSPZGSVTTM-VHSXEESVSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000648177151 384541330 /nfs/dbraw/zinc/54/13/30/384541330.db2.gz LOIUWSPZGSVTTM-ZJUUUORDSA-N 2 0 243.351 -0.146 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@@]1(C)C[NH3+] ZINC000648177296 384548507 /nfs/dbraw/zinc/54/85/07/384548507.db2.gz RHPCBRGZMHNNEF-CFDXXZMTSA-N 2 0 237.347 -0.105 20 0 BBADRP [NH3+]C1(C(=O)NC[C@H]2C[NH2+]CCO2)CCCC1 ZINC000648177314 384545699 /nfs/dbraw/zinc/54/56/99/384545699.db2.gz SICQNLPSSPKYKV-SECBINFHSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]C1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000648177315 384546429 /nfs/dbraw/zinc/54/64/29/384546429.db2.gz SICQNLPSSPKYKV-VIFPVBQESA-N 2 0 227.308 -0.638 20 0 BBADRP CC(C)([NH3+])CCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000648177316 384546387 /nfs/dbraw/zinc/54/63/87/384546387.db2.gz SOUZYJYMCZKQDU-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000648177317 384545297 /nfs/dbraw/zinc/54/52/97/384545297.db2.gz SOUZYJYMCZKQDU-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000648177323 384547374 /nfs/dbraw/zinc/54/73/74/384547374.db2.gz SVNLSSBIPDVBOT-GMTAPVOTSA-N 2 0 241.335 -0.569 20 0 BBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000648177325 384548331 /nfs/dbraw/zinc/54/83/31/384548331.db2.gz SVNLSSBIPDVBOT-OUAUKWLOSA-N 2 0 241.335 -0.569 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648177364 384543670 /nfs/dbraw/zinc/54/36/70/384543670.db2.gz VWMPWLPTMSIOFB-QCLAVDOMSA-N 2 0 225.336 -0.059 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648177365 384542276 /nfs/dbraw/zinc/54/22/76/384542276.db2.gz VWMPWLPTMSIOFB-RGOKHQFPSA-N 2 0 225.336 -0.059 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)COCC[NH3+] ZINC000648177413 384545580 /nfs/dbraw/zinc/54/55/80/384545580.db2.gz ZQNFOVLUZAVTBI-MRVPVSSYSA-N 2 0 217.313 -0.549 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)COCC[NH3+] ZINC000648177414 384546918 /nfs/dbraw/zinc/54/69/18/384546918.db2.gz ZQNFOVLUZAVTBI-QMMMGPOBSA-N 2 0 217.313 -0.549 20 0 BBADRP CN(CC[NH3+])C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648177468 488072606 /nfs/dbraw/zinc/07/26/06/488072606.db2.gz BMPUFLYUPIHQSW-SSDOTTSWSA-N 2 0 221.251 -0.352 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648177469 488073073 /nfs/dbraw/zinc/07/30/73/488073073.db2.gz BMPUFLYUPIHQSW-ZETCQYMHSA-N 2 0 221.251 -0.352 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCCO1 ZINC000648177513 398338315 /nfs/dbraw/zinc/33/83/15/398338315.db2.gz FJIXAFOWIBFKRL-DBIOUOCHSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCCO1 ZINC000648177514 398338314 /nfs/dbraw/zinc/33/83/14/398338314.db2.gz FJIXAFOWIBFKRL-YTWAJWBKSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C2([NH3+])CCCC2)CCCO1 ZINC000648177526 398338316 /nfs/dbraw/zinc/33/83/16/398338316.db2.gz GCLAVVZNPIOTSF-JTQLQIEISA-N 2 0 241.335 -0.166 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CCCO1 ZINC000648177527 398338320 /nfs/dbraw/zinc/33/83/20/398338320.db2.gz GCLAVVZNPIOTSF-SNVBAGLBSA-N 2 0 241.335 -0.166 20 0 BBADRP CN(CC[NH3+])C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648177630 384567046 /nfs/dbraw/zinc/56/70/46/384567046.db2.gz KWFGWGAJQKDGMJ-UHFFFAOYSA-N 2 0 233.315 -0.100 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C[NH3+] ZINC000648177881 384590499 /nfs/dbraw/zinc/59/04/99/384590499.db2.gz ZKTLKDVDXHDAQF-JCIQBVFBSA-N 2 0 237.347 -0.105 20 0 BBADRP C[C@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C[NH3+] ZINC000648177882 384589938 /nfs/dbraw/zinc/58/99/38/384589938.db2.gz ZKTLKDVDXHDAQF-KKJSVHSVSA-N 2 0 237.347 -0.105 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C[NH3+] ZINC000648177883 384590745 /nfs/dbraw/zinc/59/07/45/384590745.db2.gz ZKTLKDVDXHDAQF-LVEVGFFFSA-N 2 0 237.347 -0.105 20 0 BBADRP C[C@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C[NH3+] ZINC000648177884 384591274 /nfs/dbraw/zinc/59/12/74/384591274.db2.gz ZKTLKDVDXHDAQF-RNWYCLNJSA-N 2 0 237.347 -0.105 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648178044 384768911 /nfs/dbraw/zinc/76/89/11/384768911.db2.gz LZZGNLDWCANVEU-MYJAWHEDSA-N 2 0 211.309 -0.480 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648178136 384796097 /nfs/dbraw/zinc/79/60/97/384796097.db2.gz UGRLHJRXJYWDGV-BBBLOLIVSA-N 2 0 211.309 -0.195 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000648179135 410440050 /nfs/dbraw/zinc/44/00/50/410440050.db2.gz FTOOKAGKMHVJTR-LLVKDONJSA-N 2 0 249.314 -0.122 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000648179136 410439124 /nfs/dbraw/zinc/43/91/24/410439124.db2.gz FTOOKAGKMHVJTR-NSHDSACASA-N 2 0 249.314 -0.122 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000648179337 384331726 /nfs/dbraw/zinc/33/17/26/384331726.db2.gz JWSKEKJTCMACGV-QMMMGPOBSA-N 2 0 215.297 -0.782 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)COCC[NH3+] ZINC000648179385 488165296 /nfs/dbraw/zinc/16/52/96/488165296.db2.gz QEHGACBTGVIQEA-UHFFFAOYSA-N 2 0 203.286 -0.795 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000648179419 384335220 /nfs/dbraw/zinc/33/52/20/384335220.db2.gz UJSKDBJACYPZHI-UHFFFAOYSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648179481 384337059 /nfs/dbraw/zinc/33/70/59/384337059.db2.gz ZIIOVURICLGEKJ-BRPSZJMVSA-N 2 0 211.309 -0.305 20 0 BBADRP C[C@@H]1C[C@@H](C)N(C(=O)COCC[NH3+])C[C@H]1C[NH3+] ZINC000648179549 384349873 /nfs/dbraw/zinc/34/98/73/384349873.db2.gz DJRFHLQGPRLHFD-GMTAPVOTSA-N 2 0 243.351 -0.207 20 0 BBADRP C[C@@H]1C[C@@H](C)N(C(=O)COCC[NH3+])C[C@@H]1C[NH3+] ZINC000648179550 384348176 /nfs/dbraw/zinc/34/81/76/384348176.db2.gz DJRFHLQGPRLHFD-MXWKQRLJSA-N 2 0 243.351 -0.207 20 0 BBADRP C[C@@H]1C[C@H](C)N(C(=O)COCC[NH3+])C[C@H]1C[NH3+] ZINC000648179551 384349126 /nfs/dbraw/zinc/34/91/26/384349126.db2.gz DJRFHLQGPRLHFD-OUAUKWLOSA-N 2 0 243.351 -0.207 20 0 BBADRP C[C@@H]1C[C@H](C)N(C(=O)COCC[NH3+])C[C@@H]1C[NH3+] ZINC000648179552 384349517 /nfs/dbraw/zinc/34/95/17/384349517.db2.gz DJRFHLQGPRLHFD-VWYCJHECSA-N 2 0 243.351 -0.207 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648180283 384463122 /nfs/dbraw/zinc/46/31/22/384463122.db2.gz PUGYEFIIDXNVDY-QGKZMRNZSA-N 2 0 223.320 -0.162 20 0 BBADRP CC1(OCC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C[NH2+]C1 ZINC000648180332 384461184 /nfs/dbraw/zinc/46/11/84/384461184.db2.gz WYPSRXBTOREXKV-NXEZZACHSA-N 2 0 241.335 -0.249 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181038 384492057 /nfs/dbraw/zinc/49/20/57/384492057.db2.gz XLUTYOIUJZFXBO-SECBINFHSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181039 384490820 /nfs/dbraw/zinc/49/08/20/384490820.db2.gz XLUTYOIUJZFXBO-VIFPVBQESA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000648187941 384800612 /nfs/dbraw/zinc/80/06/12/384800612.db2.gz FNNNBDNJYGEWFP-CIUDSAMLSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC000648187942 384801130 /nfs/dbraw/zinc/80/11/30/384801130.db2.gz FNNNBDNJYGEWFP-DJLDLDEBSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000648187943 384800928 /nfs/dbraw/zinc/80/09/28/384800928.db2.gz FNNNBDNJYGEWFP-XHNCKOQMSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000648187944 384800498 /nfs/dbraw/zinc/80/04/98/384800498.db2.gz FNNNBDNJYGEWFP-YIZRAAEISA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)COCC[NH3+] ZINC000648187947 384799468 /nfs/dbraw/zinc/79/94/68/384799468.db2.gz FXMXGGHHIKMZNY-HTQZYQBOSA-N 2 0 203.286 -0.796 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)COCC[NH3+] ZINC000648187948 384800937 /nfs/dbraw/zinc/80/09/37/384800937.db2.gz FXMXGGHHIKMZNY-JGVFFNPUSA-N 2 0 203.286 -0.796 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)COCC[NH3+] ZINC000648187949 384800873 /nfs/dbraw/zinc/80/08/73/384800873.db2.gz FXMXGGHHIKMZNY-SFYZADRCSA-N 2 0 203.286 -0.796 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)COCC[NH3+] ZINC000648187950 384799459 /nfs/dbraw/zinc/79/94/59/384799459.db2.gz FXMXGGHHIKMZNY-YUMQZZPRSA-N 2 0 203.286 -0.796 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000648190179 384802255 /nfs/dbraw/zinc/80/22/55/384802255.db2.gz FNNNBDNJYGEWFP-HRDYMLBCSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000648190180 384803500 /nfs/dbraw/zinc/80/35/00/384803500.db2.gz FNNNBDNJYGEWFP-IWSPIJDZSA-N 2 0 215.297 -0.783 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648190295 384802786 /nfs/dbraw/zinc/80/27/86/384802786.db2.gz OJXWZXKOBZAURH-KGDYZURWSA-N 2 0 211.309 -0.306 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648190296 384802119 /nfs/dbraw/zinc/80/21/19/384802119.db2.gz OJXWZXKOBZAURH-RXKWGBCNSA-N 2 0 211.309 -0.306 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648190297 384802940 /nfs/dbraw/zinc/80/29/40/384802940.db2.gz OJXWZXKOBZAURH-SQXHDICFSA-N 2 0 211.309 -0.306 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648190298 384804079 /nfs/dbraw/zinc/80/40/79/384804079.db2.gz OJXWZXKOBZAURH-VFCFLDTKSA-N 2 0 211.309 -0.306 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648190382 384804073 /nfs/dbraw/zinc/80/40/73/384804073.db2.gz WMKPZPDQEYBRCE-CHHOWFRJSA-N 2 0 211.309 -0.021 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648190383 384803838 /nfs/dbraw/zinc/80/38/38/384803838.db2.gz WMKPZPDQEYBRCE-IGORNWKESA-N 2 0 211.309 -0.021 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648190384 384802267 /nfs/dbraw/zinc/80/22/67/384802267.db2.gz WMKPZPDQEYBRCE-OEZYJKACSA-N 2 0 211.309 -0.021 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648190385 384803754 /nfs/dbraw/zinc/80/37/54/384803754.db2.gz WMKPZPDQEYBRCE-ZOZBQHSOSA-N 2 0 211.309 -0.021 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000648190410 384802920 /nfs/dbraw/zinc/80/29/20/384802920.db2.gz ZGHKLHNCEWXPIE-BDAKNGLRSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)COC1(C)C[NH2+]C1 ZINC000648190411 384803903 /nfs/dbraw/zinc/80/39/03/384803903.db2.gz ZGHKLHNCEWXPIE-DTWKUNHWSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000648190412 384803399 /nfs/dbraw/zinc/80/33/99/384803399.db2.gz ZGHKLHNCEWXPIE-IUCAKERBSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000648190413 384803727 /nfs/dbraw/zinc/80/37/27/384803727.db2.gz ZGHKLHNCEWXPIE-RKDXNWHRSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000648190844 384805834 /nfs/dbraw/zinc/80/58/34/384805834.db2.gz DTEKYKIFIXVJLI-NXEZZACHSA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000648190845 384806361 /nfs/dbraw/zinc/80/63/61/384806361.db2.gz DTEKYKIFIXVJLI-UWVGGRQHSA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)COC1CC[NH2+]CC1 ZINC000648190846 384805692 /nfs/dbraw/zinc/80/56/92/384805692.db2.gz DTEKYKIFIXVJLI-VHSXEESVSA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000648190847 384806286 /nfs/dbraw/zinc/80/62/86/384806286.db2.gz DTEKYKIFIXVJLI-ZJUUUORDSA-N 2 0 243.351 -0.003 20 0 BBADRP C[NH2+]CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000648201709 384825324 /nfs/dbraw/zinc/82/53/24/384825324.db2.gz DFAWHFKUNSUFSV-UHFFFAOYSA-N 2 0 207.277 -0.019 20 0 BBADRP [NH3+]CCOCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000648201726 384825730 /nfs/dbraw/zinc/82/57/30/384825730.db2.gz HBQMPPWMRSNZQN-UHFFFAOYSA-N 2 0 237.303 -0.263 20 0 BBADRP [NH3+]Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000648201803 384823859 /nfs/dbraw/zinc/82/38/59/384823859.db2.gz VDJLXRVDNOFVQN-GFCCVEGCSA-N 2 0 249.314 -0.250 20 0 BBADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000648201804 384825644 /nfs/dbraw/zinc/82/56/44/384825644.db2.gz VDJLXRVDNOFVQN-LBPRGKRZSA-N 2 0 249.314 -0.250 20 0 BBADRP O=C(NCCC[NH2+]C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000648202518 398344542 /nfs/dbraw/zinc/34/45/42/398344542.db2.gz JLCKNPWXUNKCSS-JTQLQIEISA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(NCCC[NH2+]C1CC1)[C@H]1C[NH2+]CCO1 ZINC000648202519 398344569 /nfs/dbraw/zinc/34/45/69/398344569.db2.gz JLCKNPWXUNKCSS-SNVBAGLBSA-N 2 0 227.308 -0.767 20 0 BBADRP [NH3+]CCOCC(=O)NCCC[NH2+]C1CC1 ZINC000648202571 398344621 /nfs/dbraw/zinc/34/46/21/398344621.db2.gz UTKHRVOWBUYVHY-UHFFFAOYSA-N 2 0 215.297 -0.780 20 0 BBADRP O=C(NCCC[NH2+]C1CC1)[C@H]1CCC[NH2+]1 ZINC000648202589 398344552 /nfs/dbraw/zinc/34/45/52/398344552.db2.gz ZESFMPIZIBXJPU-SNVBAGLBSA-N 2 0 211.309 -0.003 20 0 BBADRP CC1(OCC(=O)NCCC[NH2+]C2CC2)C[NH2+]C1 ZINC000648203207 384832147 /nfs/dbraw/zinc/83/21/47/384832147.db2.gz XKDVVCLWPSHNFE-UHFFFAOYSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(NCCC[NH2+]C1CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648203515 384831341 /nfs/dbraw/zinc/83/13/41/384831341.db2.gz VNXCUHFQZXZRBV-URLYPYJESA-N 2 0 223.320 -0.290 20 0 BBADRP C[NH2+]CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205921 384840135 /nfs/dbraw/zinc/84/01/35/384840135.db2.gz OZGLLPQVUHKIBA-SECBINFHSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205922 384840682 /nfs/dbraw/zinc/84/06/82/384840682.db2.gz OZGLLPQVUHKIBA-VIFPVBQESA-N 2 0 211.309 -0.003 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648206285 384841108 /nfs/dbraw/zinc/84/11/08/384841108.db2.gz YMQOICMOSHKMHZ-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648206286 384840971 /nfs/dbraw/zinc/84/09/71/384840971.db2.gz YMQOICMOSHKMHZ-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648209840 384847205 /nfs/dbraw/zinc/84/72/05/384847205.db2.gz DEZXRXKRMWVYLP-UWVGGRQHSA-N 2 0 241.335 -0.249 20 0 BBADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648209841 384847779 /nfs/dbraw/zinc/84/77/79/384847779.db2.gz DEZXRXKRMWVYLP-VHSXEESVSA-N 2 0 241.335 -0.249 20 0 BBADRP C[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)[NH+](C)C ZINC000649271215 388482609 /nfs/dbraw/zinc/48/26/09/388482609.db2.gz BISJVOQAYWFICB-NSHDSACASA-N 2 0 242.367 -0.700 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCO1 ZINC000649274635 388492420 /nfs/dbraw/zinc/49/24/20/388492420.db2.gz SLBURJSVBLEASA-GUBZILKMSA-N 2 0 229.324 -0.489 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCO1 ZINC000649274640 388492732 /nfs/dbraw/zinc/49/27/32/388492732.db2.gz SLBURJSVBLEASA-KXUCPTDWSA-N 2 0 229.324 -0.489 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCO1 ZINC000649274641 388493053 /nfs/dbraw/zinc/49/30/53/388493053.db2.gz SLBURJSVBLEASA-LPEHRKFASA-N 2 0 229.324 -0.489 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCO1 ZINC000649274643 388492410 /nfs/dbraw/zinc/49/24/10/388492410.db2.gz SLBURJSVBLEASA-UTLUCORTSA-N 2 0 229.324 -0.489 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649275221 388492552 /nfs/dbraw/zinc/49/25/52/388492552.db2.gz XNIQJCUEKXXPBE-URLYPYJESA-N 2 0 225.336 -0.090 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649276232 388496285 /nfs/dbraw/zinc/49/62/85/388496285.db2.gz BLDRESAFGWDSSR-MYJAWHEDSA-N 2 0 211.309 -0.480 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649276353 388496797 /nfs/dbraw/zinc/49/67/97/388496797.db2.gz PMAYBWMAFNYNIF-BBBLOLIVSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649277636 388500494 /nfs/dbraw/zinc/50/04/94/388500494.db2.gz LJZRTTCEAKOUEM-URLYPYJESA-N 2 0 223.320 -0.338 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649277785 388503814 /nfs/dbraw/zinc/50/38/14/388503814.db2.gz RSOFFULNMIGIOU-IEBDPFPHSA-N 2 0 223.320 -0.053 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649278034 388502198 /nfs/dbraw/zinc/50/21/98/388502198.db2.gz GRODGFVUJDSCFB-MYJAWHEDSA-N 2 0 225.336 -0.092 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000649280819 388515485 /nfs/dbraw/zinc/51/54/85/388515485.db2.gz NYKCTUJPWRCWIS-AOOOYVTPSA-N 2 0 211.309 -0.064 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(C2CC2)CC1 ZINC000649286881 388543287 /nfs/dbraw/zinc/54/32/87/388543287.db2.gz IZMAHDMFQZVSQI-GDNZZTSVSA-N 2 0 235.331 -0.242 20 0 BBADRP C[NH+](C)CCCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649295428 388573505 /nfs/dbraw/zinc/57/35/05/388573505.db2.gz JKXMHEOCYQDZHJ-URLYPYJESA-N 2 0 225.336 -0.090 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649297975 388576870 /nfs/dbraw/zinc/57/68/70/388576870.db2.gz IAIJBWBCVYKUOV-NNYUYHANSA-N 2 0 237.347 -0.090 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649297976 388576473 /nfs/dbraw/zinc/57/64/73/388576473.db2.gz IAIJBWBCVYKUOV-WYUUTHIRSA-N 2 0 237.347 -0.090 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649298071 388576525 /nfs/dbraw/zinc/57/65/25/388576525.db2.gz OCDJHVLIWBZNSQ-UKKRHICBSA-N 2 0 223.320 -0.480 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649298072 388576742 /nfs/dbraw/zinc/57/67/42/388576742.db2.gz OCDJHVLIWBZNSQ-ZNSHCXBVSA-N 2 0 223.320 -0.480 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649298153 388576288 /nfs/dbraw/zinc/57/62/88/388576288.db2.gz VYYZLKBFHPGPEM-DBIOUOCHSA-N 2 0 223.320 -0.195 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649298154 388576726 /nfs/dbraw/zinc/57/67/26/388576726.db2.gz VYYZLKBFHPGPEM-ZDCRXTMVSA-N 2 0 223.320 -0.195 20 0 BBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)COCC[NH3+] ZINC000649299005 388578083 /nfs/dbraw/zinc/57/80/83/388578083.db2.gz RSBQZFJCAPWTBM-LLVKDONJSA-N 2 0 243.351 -0.238 20 0 BBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COCC[NH3+] ZINC000649299006 388578067 /nfs/dbraw/zinc/57/80/67/388578067.db2.gz RSBQZFJCAPWTBM-NSHDSACASA-N 2 0 243.351 -0.238 20 0 BBADRP C[NH+](C)[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000649302802 388585516 /nfs/dbraw/zinc/58/55/16/388585516.db2.gz RABYXDUUHRMORJ-KXNHARMFSA-N 2 0 237.347 -0.092 20 0 BBADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000649302803 388585878 /nfs/dbraw/zinc/58/58/78/388585878.db2.gz RABYXDUUHRMORJ-WHOHXGKFSA-N 2 0 237.347 -0.092 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649304958 388589537 /nfs/dbraw/zinc/58/95/37/388589537.db2.gz RPMNCFURUFMQJW-DBIOUOCHSA-N 2 0 223.320 -0.053 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649304959 388589383 /nfs/dbraw/zinc/58/93/83/388589383.db2.gz RPMNCFURUFMQJW-YTWAJWBKSA-N 2 0 223.320 -0.053 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000649304992 388589414 /nfs/dbraw/zinc/58/94/14/388589414.db2.gz VEVWYZKGBXIMDH-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000649304993 388589043 /nfs/dbraw/zinc/58/90/43/388589043.db2.gz VEVWYZKGBXIMDH-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649305031 388589019 /nfs/dbraw/zinc/58/90/19/388589019.db2.gz YCDOVOCACOSYSR-UKKRHICBSA-N 2 0 223.320 -0.338 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649305032 388589481 /nfs/dbraw/zinc/58/94/81/388589481.db2.gz YCDOVOCACOSYSR-ZNSHCXBVSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+](C)C ZINC000649305860 388590558 /nfs/dbraw/zinc/59/05/58/388590558.db2.gz IPUBTGBWVDMRLC-JLIMGVALSA-N 2 0 211.309 -0.197 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+](C)C ZINC000649305861 388590144 /nfs/dbraw/zinc/59/01/44/388590144.db2.gz IPUBTGBWVDMRLC-KYXWUPHJSA-N 2 0 211.309 -0.197 20 0 BBADRP C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000649305979 388590369 /nfs/dbraw/zinc/59/03/69/388590369.db2.gz RMCPGFZHABANPA-AXTSPUMRSA-N 2 0 211.309 -0.482 20 0 BBADRP C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000649305980 388590677 /nfs/dbraw/zinc/59/06/77/388590677.db2.gz RMCPGFZHABANPA-IMSYWVGJSA-N 2 0 211.309 -0.482 20 0 BBADRP C[N@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000649307319 388592670 /nfs/dbraw/zinc/59/26/70/388592670.db2.gz GLFSOPYYRBJRKV-DTORHVGOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[N@H+](CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000649307352 388592821 /nfs/dbraw/zinc/59/28/21/388592821.db2.gz JIZFNUXGBGVYBP-URLYPYJESA-N 2 0 223.320 -0.338 20 0 BBADRP C[N@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000649307537 388593306 /nfs/dbraw/zinc/59/33/06/388593306.db2.gz YYDVMDPYQKZMAE-IEBDPFPHSA-N 2 0 223.320 -0.053 20 0 BBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649308182 388594996 /nfs/dbraw/zinc/59/49/96/388594996.db2.gz QLDCDGCSZNMQTQ-OHBODLIOSA-N 2 0 235.331 -0.195 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649308183 388594521 /nfs/dbraw/zinc/59/45/21/388594521.db2.gz QLDCDGCSZNMQTQ-YJQGPUDQSA-N 2 0 235.331 -0.195 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649308497 388593522 /nfs/dbraw/zinc/59/35/22/388593522.db2.gz KIIJKRPSLDJJOJ-UKKRHICBSA-N 2 0 225.336 -0.092 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649308498 388594183 /nfs/dbraw/zinc/59/41/83/388594183.db2.gz KIIJKRPSLDJJOJ-ZNSHCXBVSA-N 2 0 225.336 -0.092 20 0 BBADRP C[NH+]1CCC(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649310478 388597598 /nfs/dbraw/zinc/59/75/98/388597598.db2.gz MAJBGXDWHLAFGL-GDNZZTSVSA-N 2 0 237.347 -0.090 20 0 BBADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649311010 388596807 /nfs/dbraw/zinc/59/68/07/388596807.db2.gz UGAVOAZAYVHLFC-NNYUYHANSA-N 2 0 237.347 -0.090 20 0 BBADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649311011 388596524 /nfs/dbraw/zinc/59/65/24/388596524.db2.gz UGAVOAZAYVHLFC-WYUUTHIRSA-N 2 0 237.347 -0.090 20 0 BBADRP C[NH+](C)CCn1cc(NC(=O)C2([NH3+])CC2)cn1 ZINC000649312365 388600023 /nfs/dbraw/zinc/60/00/23/388600023.db2.gz KIGXXFCYCGVADO-UHFFFAOYSA-N 2 0 237.307 -0.126 20 0 BBADRP C[NH+](C)CCn1cc(NC(=O)C[NH3+])cn1 ZINC000649312379 388599506 /nfs/dbraw/zinc/59/95/06/388599506.db2.gz KZMGOHQZQRZUSC-UHFFFAOYSA-N 2 0 211.269 -0.658 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649313993 398141339 /nfs/dbraw/zinc/14/13/39/398141339.db2.gz GASCEFWTQWFSFB-URLYPYJESA-N 2 0 241.335 -0.854 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649314277 388603578 /nfs/dbraw/zinc/60/35/78/388603578.db2.gz XPDIHJPUVIJMHM-MXWKQRLJSA-N 2 0 241.335 -0.569 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318454 398142708 /nfs/dbraw/zinc/14/27/08/398142708.db2.gz LYGHDVVFNMZHJQ-URLYPYJESA-N 2 0 225.336 -0.092 20 0 BBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649341700 398157941 /nfs/dbraw/zinc/15/79/41/398157941.db2.gz RLNYIBLKOLBIBG-NNYUYHANSA-N 2 0 237.347 -0.090 20 0 BBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649341701 398157986 /nfs/dbraw/zinc/15/79/86/398157986.db2.gz RLNYIBLKOLBIBG-WYUUTHIRSA-N 2 0 237.347 -0.090 20 0 BBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000649341770 398157872 /nfs/dbraw/zinc/15/78/72/398157872.db2.gz WLAXFDROAQDNNX-GHMZBOCLSA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000649341771 398158038 /nfs/dbraw/zinc/15/80/38/398158038.db2.gz WLAXFDROAQDNNX-WDEREUQCSA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@H]1CC[N@H+](CCNC(=O)COCC[NH3+])C1 ZINC000649342236 398158539 /nfs/dbraw/zinc/15/85/39/398158539.db2.gz VIWKAMRUAPBJFB-JTQLQIEISA-N 2 0 229.324 -0.580 20 0 BBADRP C[C@@H]1CC[N@H+](CCNC(=O)COCC[NH3+])C1 ZINC000649342237 398158478 /nfs/dbraw/zinc/15/84/78/398158478.db2.gz VIWKAMRUAPBJFB-SNVBAGLBSA-N 2 0 229.324 -0.580 20 0 BBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000649342255 398158987 /nfs/dbraw/zinc/15/89/87/398158987.db2.gz WLAXFDROAQDNNX-MNOVXSKESA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000649342256 398158517 /nfs/dbraw/zinc/15/85/17/398158517.db2.gz WLAXFDROAQDNNX-QWRGUYRKSA-N 2 0 241.335 -0.567 20 0 BBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[NH3+])CC2)C1 ZINC000649352729 398165862 /nfs/dbraw/zinc/16/58/62/398165862.db2.gz GUYMZGKDHMCQGI-LLVKDONJSA-N 2 0 240.351 -0.817 20 0 BBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[NH3+])CC2)C1 ZINC000649352730 398166042 /nfs/dbraw/zinc/16/60/42/398166042.db2.gz GUYMZGKDHMCQGI-NSHDSACASA-N 2 0 240.351 -0.817 20 0 BBADRP C[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000649356106 398169623 /nfs/dbraw/zinc/16/96/23/398169623.db2.gz BFFIUXPSTDAGGG-DTWKUNHWSA-N 2 0 215.297 -0.877 20 0 BBADRP C[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000649356107 398169546 /nfs/dbraw/zinc/16/95/46/398169546.db2.gz BFFIUXPSTDAGGG-IUCAKERBSA-N 2 0 215.297 -0.877 20 0 BBADRP C[C@@H](C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000649356357 398169064 /nfs/dbraw/zinc/16/90/64/398169064.db2.gz NLNZSOMOFIJKSE-VIFPVBQESA-N 2 0 211.309 -0.028 20 0 BBADRP CC[NH+]1CCN(CC(=O)NC[C@H](C)[NH3+])CC1 ZINC000649359811 398171999 /nfs/dbraw/zinc/17/19/99/398171999.db2.gz CTOCSDAGTOLSBM-JTQLQIEISA-N 2 0 228.340 -0.913 20 0 BBADRP CC[NH+]1CCN(CC(=O)NC[C@@H](C)[NH3+])CC1 ZINC000649359812 398171615 /nfs/dbraw/zinc/17/16/15/398171615.db2.gz CTOCSDAGTOLSBM-SNVBAGLBSA-N 2 0 228.340 -0.913 20 0 BBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H](C)[NH3+])CC1 ZINC000649359978 398172577 /nfs/dbraw/zinc/17/25/77/398172577.db2.gz SQKSYEXUKHKNRE-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP CC[NH+]1CCN(CCC(=O)NC[C@H](C)[NH3+])CC1 ZINC000649359979 398172599 /nfs/dbraw/zinc/17/25/99/398172599.db2.gz SQKSYEXUKHKNRE-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP C[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000649360252 398172704 /nfs/dbraw/zinc/17/27/04/398172704.db2.gz XEBMQRUYINIDMG-LPEHRKFASA-N 2 0 211.309 -0.386 20 0 BBADRP COC[C@]1(CNC(=O)[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000649361717 398175306 /nfs/dbraw/zinc/17/53/06/398175306.db2.gz LUMYQFUFKVRNPO-CMPLNLGQSA-N 2 0 243.351 -0.179 20 0 BBADRP COC[C@@]1(CNC(=O)[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000649361718 398175439 /nfs/dbraw/zinc/17/54/39/398175439.db2.gz LUMYQFUFKVRNPO-JQWIXIFHSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[NH+](C)C ZINC000649362948 398174380 /nfs/dbraw/zinc/17/43/80/398174380.db2.gz KDSHFENUHNMDFH-CIUDSAMLSA-N 2 0 217.288 -0.247 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000649366240 398176152 /nfs/dbraw/zinc/17/61/52/398176152.db2.gz DDUGIHFRTDTQNF-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000649366241 398176510 /nfs/dbraw/zinc/17/65/10/398176510.db2.gz DDUGIHFRTDTQNF-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000649367750 398180849 /nfs/dbraw/zinc/18/08/49/398180849.db2.gz MCJZWZYESUOWGT-DTWKUNHWSA-N 2 0 215.297 -0.959 20 0 BBADRP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000649367751 398180558 /nfs/dbraw/zinc/18/05/58/398180558.db2.gz MCJZWZYESUOWGT-IUCAKERBSA-N 2 0 215.297 -0.959 20 0 BBADRP C[C@@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000649367900 398180797 /nfs/dbraw/zinc/18/07/97/398180797.db2.gz WNSILDTZOWWTPR-UWVGGRQHSA-N 2 0 229.324 -0.487 20 0 BBADRP C[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000649367901 398180498 /nfs/dbraw/zinc/18/04/98/398180498.db2.gz WNSILDTZOWWTPR-VHSXEESVSA-N 2 0 229.324 -0.487 20 0 BBADRP CC(C)[N@@H+]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000649374075 398182357 /nfs/dbraw/zinc/18/23/57/398182357.db2.gz PIESSGVZGGBWDI-UHFFFAOYSA-N 2 0 243.351 -0.096 20 0 BBADRP C[N@H+](CCC[NH3+])CCCN1CCOCC1 ZINC000649410138 398209052 /nfs/dbraw/zinc/20/90/52/398209052.db2.gz SHMBKZSXUZSCAS-UHFFFAOYSA-N 2 0 215.341 -0.011 20 0 BBADRP COCC[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411360 398212862 /nfs/dbraw/zinc/21/28/62/398212862.db2.gz NXOLUIHCLJIUSB-GFCCVEGCSA-N 2 0 227.352 -0.140 20 0 BBADRP COCC[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411361 398213252 /nfs/dbraw/zinc/21/32/52/398213252.db2.gz NXOLUIHCLJIUSB-LBPRGKRZSA-N 2 0 227.352 -0.140 20 0 BBADRP [NH3+]CCCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649412359 398213929 /nfs/dbraw/zinc/21/39/29/398213929.db2.gz CWJCPHLIYWVNLW-NEPJUHHUSA-N 2 0 227.352 -0.134 20 0 BBADRP [NH3+]CCCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649412360 398214387 /nfs/dbraw/zinc/21/43/87/398214387.db2.gz CWJCPHLIYWVNLW-NWDGAFQWSA-N 2 0 227.352 -0.134 20 0 BBADRP [NH3+]CCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649412361 398214449 /nfs/dbraw/zinc/21/44/49/398214449.db2.gz CWJCPHLIYWVNLW-RYUDHWBXSA-N 2 0 227.352 -0.134 20 0 BBADRP [NH3+]CCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649412362 398214317 /nfs/dbraw/zinc/21/43/17/398214317.db2.gz CWJCPHLIYWVNLW-VXGBXAGGSA-N 2 0 227.352 -0.134 20 0 BBADRP C[C@H]([NH3+])CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649412409 398214361 /nfs/dbraw/zinc/21/43/61/398214361.db2.gz IVPPRBBGNNWVBZ-QJPTWQEYSA-N 2 0 227.352 -0.135 20 0 BBADRP C[C@H]([NH3+])CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649412410 398214382 /nfs/dbraw/zinc/21/43/82/398214382.db2.gz IVPPRBBGNNWVBZ-SDDRHHMPSA-N 2 0 227.352 -0.135 20 0 BBADRP C[C@H]([NH3+])CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649412411 398213660 /nfs/dbraw/zinc/21/36/60/398213660.db2.gz IVPPRBBGNNWVBZ-SRVKXCTJSA-N 2 0 227.352 -0.135 20 0 BBADRP C[C@H]([NH3+])CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649412412 398213699 /nfs/dbraw/zinc/21/36/99/398213699.db2.gz IVPPRBBGNNWVBZ-TUAOUCFPSA-N 2 0 227.352 -0.135 20 0 BBADRP C[C@H]([NH3+])CN1CC[NH+](C(C)(C)CO)CC1 ZINC000649413506 398212116 /nfs/dbraw/zinc/21/21/16/398212116.db2.gz AZHOUACDJRIBFL-JTQLQIEISA-N 2 0 215.341 -0.278 20 0 BBADRP C[C@@H]([NH3+])CN1CC[NH+](C(C)(C)CO)CC1 ZINC000649413507 398212111 /nfs/dbraw/zinc/21/21/11/398212111.db2.gz AZHOUACDJRIBFL-SNVBAGLBSA-N 2 0 215.341 -0.278 20 0 BBADRP C[NH2+]CCCN1CC[NH+](C(C)(C)CO)CC1 ZINC000649413526 398211873 /nfs/dbraw/zinc/21/18/73/398211873.db2.gz DFNCSGWLVUNMFK-UHFFFAOYSA-N 2 0 229.368 -0.016 20 0 BBADRP CC(C)(CO)[NH+]1CCN(CCC[NH3+])CC1 ZINC000649413531 398212089 /nfs/dbraw/zinc/21/20/89/398212089.db2.gz DRELIMAHKGNAIC-UHFFFAOYSA-N 2 0 215.341 -0.276 20 0 BBADRP CC(C)(CO)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649413645 398212232 /nfs/dbraw/zinc/21/22/32/398212232.db2.gz WLKFWYWYTRZFJQ-GFCCVEGCSA-N 2 0 241.379 -0.016 20 0 BBADRP CC(C)(CO)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649413646 398212029 /nfs/dbraw/zinc/21/20/29/398212029.db2.gz WLKFWYWYTRZFJQ-LBPRGKRZSA-N 2 0 241.379 -0.016 20 0 BBADRP C[C@@H](CO)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685606 491090583 /nfs/dbraw/zinc/09/05/83/491090583.db2.gz GKAGRMKBWODPFT-LLVKDONJSA-N 2 0 243.351 -0.679 20 0 BBADRP C[C@H](CO)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685607 491090520 /nfs/dbraw/zinc/09/05/20/491090520.db2.gz GKAGRMKBWODPFT-NSHDSACASA-N 2 0 243.351 -0.679 20 0 BBADRP COCCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685792 491090545 /nfs/dbraw/zinc/09/05/45/491090545.db2.gz MMMTWVVMLGIKOJ-UHFFFAOYSA-N 2 0 229.324 -0.661 20 0 BBADRP COCCCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685974 491090537 /nfs/dbraw/zinc/09/05/37/491090537.db2.gz UJDDXIOUJNLBDM-UHFFFAOYSA-N 2 0 243.351 -0.271 20 0 BBADRP COC[C@H]1C[C@@H](O)C[N@@H+]1CCn1ccnc1 ZINC000649764223 398091464 /nfs/dbraw/zinc/09/14/64/398091464.db2.gz WQGQSLFLAZZKID-GHMZBOCLSA-N 2 0 225.292 -0.035 20 0 BBADRP CCO[C@@H]1CN(CCC[NH3+])C[C@H]1C[NH3+] ZINC000650714560 410346843 /nfs/dbraw/zinc/34/68/43/410346843.db2.gz NQGSJTCNZOPUGZ-NXEZZACHSA-N 2 0 201.314 -0.369 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743124 410378785 /nfs/dbraw/zinc/37/87/85/410378785.db2.gz MJAJANNAKXXNTG-BBBLOLIVSA-N 2 0 229.324 -0.406 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743125 410378640 /nfs/dbraw/zinc/37/86/40/410378640.db2.gz MJAJANNAKXXNTG-LPEHRKFASA-N 2 0 229.324 -0.406 20 0 BBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000650743684 410380332 /nfs/dbraw/zinc/38/03/32/410380332.db2.gz YOPWQGKNPUELGY-AXTSPUMRSA-N 2 0 211.309 -0.033 20 0 BBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000650743685 410381016 /nfs/dbraw/zinc/38/10/16/410381016.db2.gz YOPWQGKNPUELGY-DOLQZWNJSA-N 2 0 211.309 -0.033 20 0 BBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000650743686 410380741 /nfs/dbraw/zinc/38/07/41/410380741.db2.gz YOPWQGKNPUELGY-IMSYWVGJSA-N 2 0 211.309 -0.033 20 0 BBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000650743687 410381570 /nfs/dbraw/zinc/38/15/70/410381570.db2.gz YOPWQGKNPUELGY-QEYWKRMJSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652201656 411171234 /nfs/dbraw/zinc/17/12/34/411171234.db2.gz MEBNSZSIJHGHNF-UHFFFAOYSA-N 2 0 214.313 -0.366 20 0 BBADRP [NH3+]CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652202174 411170734 /nfs/dbraw/zinc/17/07/34/411170734.db2.gz BUAFABRRJJKNQY-ONGXEEELSA-N 2 0 226.324 -0.285 20 0 BBADRP [NH3+]CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652202635 411170820 /nfs/dbraw/zinc/17/08/20/411170820.db2.gz PKYDBENADWCTMN-UHFFFAOYSA-N 2 0 200.286 -0.627 20 0 BBADRP CCO[C@@H]1CN(C(=O)NCCC[NH3+])C[C@H]1C[NH3+] ZINC000652203460 411171156 /nfs/dbraw/zinc/17/11/56/411171156.db2.gz MWUPFVZZCXESIQ-NXEZZACHSA-N 2 0 244.339 -0.660 20 0 BBADRP [NH3+]CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652203792 411171308 /nfs/dbraw/zinc/17/13/08/411171308.db2.gz YBBYEXMZQKJQAV-UHFFFAOYSA-N 2 0 214.313 -0.237 20 0 BBADRP C[NH2+]CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652204115 411168301 /nfs/dbraw/zinc/16/83/01/411168301.db2.gz GVDLRFNFGDBRIY-UHFFFAOYSA-N 2 0 214.313 -0.366 20 0 BBADRP CCO[C@@H]1CN(C(=O)NCC[NH2+]C)C[C@H]1C[NH3+] ZINC000652204335 411168824 /nfs/dbraw/zinc/16/88/24/411168824.db2.gz OCIZIQCNKLSACO-NXEZZACHSA-N 2 0 244.339 -0.789 20 0 BBADRP C[NH2+]CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652204476 411168827 /nfs/dbraw/zinc/16/88/27/411168827.db2.gz TVLGRKQAMFXLIK-UHFFFAOYSA-N 2 0 228.340 -0.105 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652204530 411168672 /nfs/dbraw/zinc/16/86/72/411168672.db2.gz VJBJFVKNYLCUCC-JQWIXIFHSA-N 2 0 240.351 -0.024 20 0 BBADRP [NH3+]CC1(CCNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000652205361 711729587 /nfs/dbraw/zinc/72/95/87/711729587.db2.gz VZNAJKXICSKHSK-VIFPVBQESA-N 2 0 226.324 -0.224 20 0 BBADRP O=C(NCCC1CC[NH2+]CC1)NCC1C[NH2+]C1 ZINC000652211104 411171393 /nfs/dbraw/zinc/17/13/93/411171393.db2.gz VLDBVVOJJRSOLR-UHFFFAOYSA-N 2 0 240.351 -0.105 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NCCC1(C[NH3+])CC1 ZINC000652213892 411171754 /nfs/dbraw/zinc/17/17/54/411171754.db2.gz JVQHOCPRGATSGN-MRVPVSSYSA-N 2 0 214.313 -0.238 20 0 BBADRP CCO[C@@H]1CN(C(=O)N[C@H](C)C[NH3+])C[C@H]1C[NH3+] ZINC000652214019 411172529 /nfs/dbraw/zinc/17/25/29/411172529.db2.gz PUOFPTDWPJOTTQ-OPRDCNLKSA-N 2 0 244.339 -0.661 20 0 BBADRP CCO[C@@H]1CN(C(=O)NC[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000652217588 411173027 /nfs/dbraw/zinc/17/30/27/411173027.db2.gz AXJOLNRYUIMSSV-IVZWLZJFSA-N 2 0 244.339 -0.661 20 0 BBADRP CCO[C@@H]1CN(C(=O)NC[C@@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000652217589 411173213 /nfs/dbraw/zinc/17/32/13/411173213.db2.gz AXJOLNRYUIMSSV-OPRDCNLKSA-N 2 0 244.339 -0.661 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652217784 411173181 /nfs/dbraw/zinc/17/31/81/411173181.db2.gz IWOYGSGEQYMNGF-MRVPVSSYSA-N 2 0 214.313 -0.238 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652217785 411173289 /nfs/dbraw/zinc/17/32/89/411173289.db2.gz IWOYGSGEQYMNGF-QMMMGPOBSA-N 2 0 214.313 -0.238 20 0 BBADRP [NH3+]C/C=C/CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652219543 411173294 /nfs/dbraw/zinc/17/32/94/411173294.db2.gz CTWVTVGFLYIECF-OWOJBTEDSA-N 2 0 226.324 -0.071 20 0 BBADRP [NH3+]C/C=C\CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652219544 411173301 /nfs/dbraw/zinc/17/33/01/411173301.db2.gz CTWVTVGFLYIECF-UPHRSURJSA-N 2 0 226.324 -0.071 20 0 BBADRP [NH3+]CC1(CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000652220789 487885791 /nfs/dbraw/zinc/88/57/91/487885791.db2.gz JFSHMOOGHPIENQ-MYJAWHEDSA-N 2 0 238.335 -0.368 20 0 BBADRP CN(CC[NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000652231695 411176671 /nfs/dbraw/zinc/17/66/71/411176671.db2.gz CQQNAZYUGYFQJO-UHFFFAOYSA-N 2 0 214.313 -0.285 20 0 BBADRP [NH3+]CC1(CCNC(=O)N2CC[NH2+]CC2)CC1 ZINC000652232116 642789090 /nfs/dbraw/zinc/78/90/90/642789090.db2.gz QJBSDARJGVCBQM-UHFFFAOYSA-N 2 0 226.324 -0.270 20 0 BBADRP [NH3+]CC1(CCNC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000652232126 634534347 /nfs/dbraw/zinc/53/43/47/634534347.db2.gz QUNSSRREZVDIKV-SECBINFHSA-N 2 0 226.324 -0.142 20 0 BBADRP [NH3+]CC1(CCNC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000652232127 634532513 /nfs/dbraw/zinc/53/25/13/634532513.db2.gz QUNSSRREZVDIKV-VIFPVBQESA-N 2 0 226.324 -0.142 20 0 BBADRP C[NH+](C)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652238499 411177418 /nfs/dbraw/zinc/17/74/18/411177418.db2.gz JJTUFSZEPBDGBK-UHFFFAOYSA-N 2 0 228.340 -0.024 20 0 BBADRP CN(CC[NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000652323238 491082647 /nfs/dbraw/zinc/08/26/47/491082647.db2.gz CNRPZNOQOXNKBG-UHFFFAOYSA-N 2 0 228.340 -0.024 20 0 BBADRP O=C(NCCC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000652323536 490187215 /nfs/dbraw/zinc/18/72/15/490187215.db2.gz JPTKPCLEEZEQRA-UHFFFAOYSA-N 2 0 240.351 -0.009 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H]([NH3+])C1 ZINC000652335583 487923481 /nfs/dbraw/zinc/92/34/81/487923481.db2.gz SVNJRXILPUMLPD-NXEZZACHSA-N 2 0 201.314 -0.620 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([NH3+])C1 ZINC000652335584 487923402 /nfs/dbraw/zinc/92/34/02/487923402.db2.gz SVNJRXILPUMLPD-UWVGGRQHSA-N 2 0 201.314 -0.620 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@H]([NH3+])C1 ZINC000652335585 487923827 /nfs/dbraw/zinc/92/38/27/487923827.db2.gz SVNJRXILPUMLPD-VHSXEESVSA-N 2 0 201.314 -0.620 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([NH3+])C1 ZINC000652335586 487923519 /nfs/dbraw/zinc/92/35/19/487923519.db2.gz SVNJRXILPUMLPD-ZJUUUORDSA-N 2 0 201.314 -0.620 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000652335823 487924909 /nfs/dbraw/zinc/92/49/09/487924909.db2.gz JFPXMGPWSUZABT-AXFHLTTASA-N 2 0 231.340 -0.995 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000652335824 487924791 /nfs/dbraw/zinc/92/47/91/487924791.db2.gz JFPXMGPWSUZABT-DCAQKATOSA-N 2 0 231.340 -0.995 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000652335825 487924665 /nfs/dbraw/zinc/92/46/65/487924665.db2.gz JFPXMGPWSUZABT-MXWKQRLJSA-N 2 0 231.340 -0.995 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000652335826 487924660 /nfs/dbraw/zinc/92/46/60/487924660.db2.gz JFPXMGPWSUZABT-VWYCJHECSA-N 2 0 231.340 -0.995 20 0 BBADRP CNC(=O)[C@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652338147 411204979 /nfs/dbraw/zinc/20/49/79/411204979.db2.gz GIWBWBFCHPNNFI-CMPLNLGQSA-N 2 0 243.351 -0.585 20 0 BBADRP CNC(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338148 411204816 /nfs/dbraw/zinc/20/48/16/411204816.db2.gz GIWBWBFCHPNNFI-JQWIXIFHSA-N 2 0 243.351 -0.585 20 0 BBADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338149 411204536 /nfs/dbraw/zinc/20/45/36/411204536.db2.gz GIWBWBFCHPNNFI-PWSUYJOCSA-N 2 0 243.351 -0.585 20 0 BBADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652338150 411204659 /nfs/dbraw/zinc/20/46/59/411204659.db2.gz GIWBWBFCHPNNFI-ZYHUDNBSSA-N 2 0 243.351 -0.585 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH+](C(C)C)CC1 ZINC000652338648 411204480 /nfs/dbraw/zinc/20/44/80/411204480.db2.gz KKMLWXOPTFBEDS-GFCCVEGCSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[NH+](C(C)C)CC1 ZINC000652338649 411204551 /nfs/dbraw/zinc/20/45/51/411204551.db2.gz KKMLWXOPTFBEDS-LBPRGKRZSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC(C)([NH3+])CC1 ZINC000652340723 411205476 /nfs/dbraw/zinc/20/54/76/411205476.db2.gz HFIMVZGPQKFLPQ-LLVKDONJSA-N 2 0 215.341 -0.230 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC(C)([NH3+])CC1 ZINC000652340724 411205417 /nfs/dbraw/zinc/20/54/17/411205417.db2.gz HFIMVZGPQKFLPQ-NSHDSACASA-N 2 0 215.341 -0.230 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000652340963 411206076 /nfs/dbraw/zinc/20/60/76/411206076.db2.gz PUMHLNOBZRSDEO-NEPJUHHUSA-N 2 0 229.368 -0.113 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000652340964 411205959 /nfs/dbraw/zinc/20/59/59/411205959.db2.gz PUMHLNOBZRSDEO-VXGBXAGGSA-N 2 0 229.368 -0.113 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000652340997 411205659 /nfs/dbraw/zinc/20/56/59/411205659.db2.gz UOVTVDPXWJCEJG-SRVKXCTJSA-N 2 0 227.352 -0.359 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000652340998 411205582 /nfs/dbraw/zinc/20/55/82/411205582.db2.gz UOVTVDPXWJCEJG-TUAOUCFPSA-N 2 0 227.352 -0.359 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000652340999 411206037 /nfs/dbraw/zinc/20/60/37/411206037.db2.gz UOVTVDPXWJCEJG-UTUOFQBUSA-N 2 0 227.352 -0.359 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000652341000 411205440 /nfs/dbraw/zinc/20/54/40/411205440.db2.gz UOVTVDPXWJCEJG-WOPDTQHZSA-N 2 0 227.352 -0.359 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000652341367 411206927 /nfs/dbraw/zinc/20/69/27/411206927.db2.gz JKVBEASKJSRTNU-SRVKXCTJSA-N 2 0 229.368 -0.127 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000652341368 411207077 /nfs/dbraw/zinc/20/70/77/411207077.db2.gz JKVBEASKJSRTNU-TUAOUCFPSA-N 2 0 229.368 -0.127 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000652341369 411206903 /nfs/dbraw/zinc/20/69/03/411206903.db2.gz JKVBEASKJSRTNU-UTUOFQBUSA-N 2 0 229.368 -0.127 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000652341370 411206789 /nfs/dbraw/zinc/20/67/89/411206789.db2.gz JKVBEASKJSRTNU-WOPDTQHZSA-N 2 0 229.368 -0.127 20 0 BBADRP C[NH2+]C[C@](C)(O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000652344265 411209419 /nfs/dbraw/zinc/20/94/19/411209419.db2.gz BOOXJNFENSERAQ-NEPJUHHUSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000652344266 411209403 /nfs/dbraw/zinc/20/94/03/411209403.db2.gz BOOXJNFENSERAQ-NWDGAFQWSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]C[C@](C)(O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000652344267 411208857 /nfs/dbraw/zinc/20/88/57/411208857.db2.gz BOOXJNFENSERAQ-RYUDHWBXSA-N 2 0 229.368 -0.017 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000652344268 411209065 /nfs/dbraw/zinc/20/90/65/411209065.db2.gz BOOXJNFENSERAQ-VXGBXAGGSA-N 2 0 229.368 -0.017 20 0 BBADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000652352622 487930304 /nfs/dbraw/zinc/93/03/04/487930304.db2.gz GBFBUOCPFAEXRN-NHCYSSNCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000652352623 487930080 /nfs/dbraw/zinc/93/00/80/487930080.db2.gz GBFBUOCPFAEXRN-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]CCN1CCC(Cn2cnnc2)CC1 ZINC000652353643 411212264 /nfs/dbraw/zinc/21/22/64/411212264.db2.gz XMXAWAWHCGWDQN-UHFFFAOYSA-N 2 0 209.297 -0.051 20 0 BBADRP CCO[C@@H]1CN(C[C@](C)(O)C[NH2+]C)C[C@H]1C[NH3+] ZINC000652356259 411214655 /nfs/dbraw/zinc/21/46/55/411214655.db2.gz YURCFLSGDDFNIC-IJLUTSLNSA-N 2 0 245.367 -0.748 20 0 BBADRP CCO[C@@H]1CN(C[C@@](C)(O)C[NH2+]C)C[C@H]1C[NH3+] ZINC000652356260 411215167 /nfs/dbraw/zinc/21/51/67/411215167.db2.gz YURCFLSGDDFNIC-UTUOFQBUSA-N 2 0 245.367 -0.748 20 0 BBADRP CCO[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000652356366 411215513 /nfs/dbraw/zinc/21/55/13/411215513.db2.gz FCECYJYDYBRVNR-GHMZBOCLSA-N 3 0 231.340 -0.743 20 0 BBADRP CCO[C@@H]1CN(C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356517 411214632 /nfs/dbraw/zinc/21/46/32/411214632.db2.gz ONICSVONJZJNNP-IJLUTSLNSA-N 2 0 227.352 -0.109 20 0 BBADRP CCO[C@@H]1CN(C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356518 411215294 /nfs/dbraw/zinc/21/52/94/411215294.db2.gz ONICSVONJZJNNP-QJPTWQEYSA-N 2 0 227.352 -0.109 20 0 BBADRP CCO[C@@H]1CN(C[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000652356543 411214579 /nfs/dbraw/zinc/21/45/79/411214579.db2.gz RHMPISXCIUKLBF-IVZWLZJFSA-N 2 0 201.314 -0.371 20 0 BBADRP CCO[C@@H]1CN(C[C@@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000652356544 411215123 /nfs/dbraw/zinc/21/51/23/411215123.db2.gz RHMPISXCIUKLBF-OPRDCNLKSA-N 2 0 201.314 -0.371 20 0 BBADRP CCO[C@@H]1CN(CCC[NH2+]C)C[C@H]1C[NH3+] ZINC000652356613 411214989 /nfs/dbraw/zinc/21/49/89/411214989.db2.gz XJFJSIHMIWDNJV-GHMZBOCLSA-N 2 0 215.341 -0.109 20 0 BBADRP C[NH+](C)CCn1cc(NC(=O)NCC[NH3+])cn1 ZINC000652612223 411285572 /nfs/dbraw/zinc/28/55/72/411285572.db2.gz LXPGLQBRSPYKTK-UHFFFAOYSA-N 2 0 240.311 -0.475 20 0 BBADRP [NH3+]C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653042792 487943724 /nfs/dbraw/zinc/94/37/24/487943724.db2.gz CMBZXPAKKGHGCG-CABZTGNLSA-N 2 0 239.319 -0.828 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653042830 487943941 /nfs/dbraw/zinc/94/39/41/487943941.db2.gz HLLDWKGEZZOTSW-NHCYSSNCSA-N 2 0 239.319 -0.828 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653042831 487943844 /nfs/dbraw/zinc/94/38/44/487943844.db2.gz HLLDWKGEZZOTSW-UMNHJUIQSA-N 2 0 239.319 -0.828 20 0 BBADRP O=C(NC1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653043313 411401543 /nfs/dbraw/zinc/40/15/43/411401543.db2.gz NQMDAYIKBSWQNP-CABZTGNLSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C([C@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000653043449 411401308 /nfs/dbraw/zinc/40/13/08/411401308.db2.gz WQYJRWGUQJHWOT-JTQLQIEISA-N 2 0 211.309 -0.192 20 0 BBADRP O=C([C@@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000653043450 411401327 /nfs/dbraw/zinc/40/13/27/411401327.db2.gz WQYJRWGUQJHWOT-SNVBAGLBSA-N 2 0 211.309 -0.192 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653043791 411401705 /nfs/dbraw/zinc/40/17/05/411401705.db2.gz AUKYTSQGIUPJHW-NHCYSSNCSA-N 2 0 239.319 -0.957 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653043792 411401293 /nfs/dbraw/zinc/40/12/93/411401293.db2.gz AUKYTSQGIUPJHW-UMNHJUIQSA-N 2 0 239.319 -0.957 20 0 BBADRP O=C(N1CCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653043826 411401895 /nfs/dbraw/zinc/40/18/95/411401895.db2.gz CTECQRUWZVHNIT-JQWIXIFHSA-N 2 0 239.319 -0.956 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653044701 411401366 /nfs/dbraw/zinc/40/13/66/411401366.db2.gz XYNOUXSWKZFALS-NHCYSSNCSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653044702 411401578 /nfs/dbraw/zinc/40/15/78/411401578.db2.gz XYNOUXSWKZFALS-UMNHJUIQSA-N 2 0 239.319 -0.909 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653045321 411402392 /nfs/dbraw/zinc/40/23/92/411402392.db2.gz CEIPAHVKLXRLTH-JQWIXIFHSA-N 2 0 241.335 -0.662 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000653045572 411402764 /nfs/dbraw/zinc/40/27/64/411402764.db2.gz ZEKWTMWNUDNRGN-UWVGGRQHSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000653045573 411402275 /nfs/dbraw/zinc/40/22/75/411402275.db2.gz ZEKWTMWNUDNRGN-ZJUUUORDSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000653046405 411402935 /nfs/dbraw/zinc/40/29/35/411402935.db2.gz ZSEXBYMVZHUPRT-GHMZBOCLSA-N 2 0 242.367 -0.476 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000653046406 411403145 /nfs/dbraw/zinc/40/31/45/411403145.db2.gz ZSEXBYMVZHUPRT-MNOVXSKESA-N 2 0 242.367 -0.476 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000653046407 411402316 /nfs/dbraw/zinc/40/23/16/411402316.db2.gz ZSEXBYMVZHUPRT-QWRGUYRKSA-N 2 0 242.367 -0.476 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000653046408 411402949 /nfs/dbraw/zinc/40/29/49/411402949.db2.gz ZSEXBYMVZHUPRT-WDEREUQCSA-N 2 0 242.367 -0.476 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000653046782 411402423 /nfs/dbraw/zinc/40/24/23/411402423.db2.gz OQGIBCICRQNTOS-GHMZBOCLSA-N 2 0 242.367 -0.395 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000653046783 411402819 /nfs/dbraw/zinc/40/28/19/411402819.db2.gz OQGIBCICRQNTOS-MNOVXSKESA-N 2 0 242.367 -0.395 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653046947 411402564 /nfs/dbraw/zinc/40/25/64/411402564.db2.gz XPPZMRQMKUMKPE-NXEZZACHSA-N 2 0 228.340 -0.914 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653046948 411402747 /nfs/dbraw/zinc/40/27/47/411402747.db2.gz XPPZMRQMKUMKPE-UWVGGRQHSA-N 2 0 228.340 -0.914 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653046949 411402901 /nfs/dbraw/zinc/40/29/01/411402901.db2.gz XPPZMRQMKUMKPE-VHSXEESVSA-N 2 0 228.340 -0.914 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653046950 411403085 /nfs/dbraw/zinc/40/30/85/411403085.db2.gz XPPZMRQMKUMKPE-ZJUUUORDSA-N 2 0 228.340 -0.914 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653047520 411403968 /nfs/dbraw/zinc/40/39/68/411403968.db2.gz WCXFCADHOZFVRY-NHCYSSNCSA-N 2 0 239.319 -0.970 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653047521 411404197 /nfs/dbraw/zinc/40/41/97/411404197.db2.gz WCXFCADHOZFVRY-SCVCMEIPSA-N 2 0 239.319 -0.970 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653047642 411404052 /nfs/dbraw/zinc/40/40/52/411404052.db2.gz FGKQYTKJEJNRQY-RNFRBKRXSA-N 2 0 239.241 -0.280 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653048270 411404045 /nfs/dbraw/zinc/40/40/45/411404045.db2.gz TVXIUEUUMBAVAY-NHCYSSNCSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653048271 411403801 /nfs/dbraw/zinc/40/38/01/411403801.db2.gz TVXIUEUUMBAVAY-UMNHJUIQSA-N 2 0 239.319 -0.909 20 0 BBADRP C[NH2+]CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048344 411404051 /nfs/dbraw/zinc/40/40/51/411404051.db2.gz ZRORMGHBHIKIEF-NXEZZACHSA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048345 411404134 /nfs/dbraw/zinc/40/41/34/411404134.db2.gz ZRORMGHBHIKIEF-UWVGGRQHSA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048346 411403752 /nfs/dbraw/zinc/40/37/52/411403752.db2.gz ZRORMGHBHIKIEF-VHSXEESVSA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048347 411404002 /nfs/dbraw/zinc/40/40/02/411404002.db2.gz ZRORMGHBHIKIEF-ZJUUUORDSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653048649 411403761 /nfs/dbraw/zinc/40/37/61/411403761.db2.gz PIDUZVZXZZJIMK-CABZTGNLSA-N 2 0 239.319 -0.909 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653048721 411404775 /nfs/dbraw/zinc/40/47/75/411404775.db2.gz VSWXETSVGKQIJY-LLVKDONJSA-N 2 0 244.383 -0.230 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653048722 411404770 /nfs/dbraw/zinc/40/47/70/411404770.db2.gz VSWXETSVGKQIJY-NSHDSACASA-N 2 0 244.383 -0.230 20 0 BBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[NH2+]C1 ZINC000653049915 411402608 /nfs/dbraw/zinc/40/26/08/411402608.db2.gz QIDQERBHYKFDTI-NHCYSSNCSA-N 2 0 239.319 -0.957 20 0 BBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[NH2+]C1 ZINC000653049916 411403121 /nfs/dbraw/zinc/40/31/21/411403121.db2.gz QIDQERBHYKFDTI-UMNHJUIQSA-N 2 0 239.319 -0.957 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000653050126 411404803 /nfs/dbraw/zinc/40/48/03/411404803.db2.gz CRJUVDRVCSNHFA-JTQLQIEISA-N 2 0 242.367 -0.347 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000653050127 411404894 /nfs/dbraw/zinc/40/48/94/411404894.db2.gz CRJUVDRVCSNHFA-SNVBAGLBSA-N 2 0 242.367 -0.347 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000653050257 411405293 /nfs/dbraw/zinc/40/52/93/411405293.db2.gz MBHAMALKJGNOCE-AXFHLTTASA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000653050258 411404814 /nfs/dbraw/zinc/40/48/14/411404814.db2.gz MBHAMALKJGNOCE-GMTAPVOTSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000653050259 411404997 /nfs/dbraw/zinc/40/49/97/411404997.db2.gz MBHAMALKJGNOCE-MXWKQRLJSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000653050260 411404860 /nfs/dbraw/zinc/40/48/60/411404860.db2.gz MBHAMALKJGNOCE-OUAUKWLOSA-N 2 0 242.367 -0.526 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653050283 411405518 /nfs/dbraw/zinc/40/55/18/411405518.db2.gz OZOJKXYDAGSRFI-JTQLQIEISA-N 2 0 244.383 -0.101 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@H](N)CC[NH+](C)C ZINC000653050284 411404947 /nfs/dbraw/zinc/40/49/47/411404947.db2.gz OZOJKXYDAGSRFI-SNVBAGLBSA-N 2 0 244.383 -0.101 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[NH2+]1 ZINC000653050654 411404938 /nfs/dbraw/zinc/40/49/38/411404938.db2.gz KEESFYXDVTWKSH-NXEZZACHSA-N 2 0 228.340 -0.914 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[NH2+]1 ZINC000653050655 411405241 /nfs/dbraw/zinc/40/52/41/411405241.db2.gz KEESFYXDVTWKSH-UWVGGRQHSA-N 2 0 228.340 -0.914 20 0 BBADRP C[C@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[NH2+]1 ZINC000653050656 411405357 /nfs/dbraw/zinc/40/53/57/411405357.db2.gz KEESFYXDVTWKSH-VHSXEESVSA-N 2 0 228.340 -0.914 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[NH2+]1 ZINC000653050657 411405391 /nfs/dbraw/zinc/40/53/91/411405391.db2.gz KEESFYXDVTWKSH-ZJUUUORDSA-N 2 0 228.340 -0.914 20 0 BBADRP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC000653050799 411405466 /nfs/dbraw/zinc/40/54/66/411405466.db2.gz YESKSDQLZAWODH-NHCYSSNCSA-N 2 0 239.319 -0.957 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]1 ZINC000653050800 411404839 /nfs/dbraw/zinc/40/48/39/411404839.db2.gz YESKSDQLZAWODH-SCVCMEIPSA-N 2 0 239.319 -0.957 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](N)CC[NH+](C)C ZINC000653051092 411405505 /nfs/dbraw/zinc/40/55/05/411405505.db2.gz HTBAHUASECTJCU-GHMZBOCLSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653051093 411405076 /nfs/dbraw/zinc/40/50/76/411405076.db2.gz HTBAHUASECTJCU-MNOVXSKESA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653051094 411405428 /nfs/dbraw/zinc/40/54/28/411405428.db2.gz HTBAHUASECTJCU-QWRGUYRKSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](N)CC[NH+](C)C ZINC000653051095 411405435 /nfs/dbraw/zinc/40/54/35/411405435.db2.gz HTBAHUASECTJCU-WDEREUQCSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653051496 411404795 /nfs/dbraw/zinc/40/47/95/411404795.db2.gz BGGNRYQTHKWOCY-NHCYSSNCSA-N 2 0 241.335 -0.678 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653051497 411404787 /nfs/dbraw/zinc/40/47/87/411404787.db2.gz BGGNRYQTHKWOCY-UMNHJUIQSA-N 2 0 241.335 -0.678 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653051901 411404807 /nfs/dbraw/zinc/40/48/07/411404807.db2.gz NVFGGRZBKIIHDN-NXEZZACHSA-N 2 0 230.356 -0.635 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653051902 411405418 /nfs/dbraw/zinc/40/54/18/411405418.db2.gz NVFGGRZBKIIHDN-UWVGGRQHSA-N 2 0 230.356 -0.635 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653051903 411404800 /nfs/dbraw/zinc/40/48/00/411404800.db2.gz NVFGGRZBKIIHDN-VHSXEESVSA-N 2 0 230.356 -0.635 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653051904 411404821 /nfs/dbraw/zinc/40/48/21/411404821.db2.gz NVFGGRZBKIIHDN-ZJUUUORDSA-N 2 0 230.356 -0.635 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653052325 411406270 /nfs/dbraw/zinc/40/62/70/411406270.db2.gz BDVALLIYARLWJK-CMPLNLGQSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653052326 411405798 /nfs/dbraw/zinc/40/57/98/411405798.db2.gz BDVALLIYARLWJK-JQWIXIFHSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](N)CC[NH+](C)C ZINC000653052327 411405901 /nfs/dbraw/zinc/40/59/01/411405901.db2.gz BDVALLIYARLWJK-PWSUYJOCSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](N)CC[NH+](C)C ZINC000653052328 411406456 /nfs/dbraw/zinc/40/64/56/411406456.db2.gz BDVALLIYARLWJK-ZYHUDNBSSA-N 2 0 244.383 -0.245 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653053344 411406311 /nfs/dbraw/zinc/40/63/11/411406311.db2.gz ATMAFOPQIBRNGW-ONGXEEELSA-N 2 0 227.308 -0.970 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653053692 411406333 /nfs/dbraw/zinc/40/63/33/411406333.db2.gz BWDUOOKQYTZTAN-KWQFWETISA-N 2 0 227.308 -0.924 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH2+]CC1(C)C ZINC000653053782 411406240 /nfs/dbraw/zinc/40/62/40/411406240.db2.gz JTWPKKUGAUKTQU-JTQLQIEISA-N 2 0 242.367 -0.524 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH2+]CC1(C)C ZINC000653053783 411406366 /nfs/dbraw/zinc/40/63/66/411406366.db2.gz JTWPKKUGAUKTQU-SNVBAGLBSA-N 2 0 242.367 -0.524 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653054416 411407074 /nfs/dbraw/zinc/40/70/74/411407074.db2.gz SKFAULGTTZPNQU-JTQLQIEISA-N 2 0 244.383 -0.101 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653054417 411406899 /nfs/dbraw/zinc/40/68/99/411406899.db2.gz SKFAULGTTZPNQU-SNVBAGLBSA-N 2 0 244.383 -0.101 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H](N)CC[NH+](C)C ZINC000653054749 411407342 /nfs/dbraw/zinc/40/73/42/411407342.db2.gz PXSZBHSCUNTGDQ-JTQLQIEISA-N 2 0 244.383 -0.291 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H](N)CC[NH+](C)C ZINC000653054750 411406843 /nfs/dbraw/zinc/40/68/43/411406843.db2.gz PXSZBHSCUNTGDQ-SNVBAGLBSA-N 2 0 244.383 -0.291 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CC[NH+](C)C ZINC000653056247 411406924 /nfs/dbraw/zinc/40/69/24/411406924.db2.gz ZWVXYXGOJORZBU-GHMZBOCLSA-N 2 0 244.383 -0.101 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653056248 411407122 /nfs/dbraw/zinc/40/71/22/411407122.db2.gz ZWVXYXGOJORZBU-MNOVXSKESA-N 2 0 244.383 -0.101 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653056249 411407218 /nfs/dbraw/zinc/40/72/18/411407218.db2.gz ZWVXYXGOJORZBU-QWRGUYRKSA-N 2 0 244.383 -0.101 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CC[NH+](C)C ZINC000653056250 411407144 /nfs/dbraw/zinc/40/71/44/411407144.db2.gz ZWVXYXGOJORZBU-WDEREUQCSA-N 2 0 244.383 -0.101 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653104350 409798487 /nfs/dbraw/zinc/79/84/87/409798487.db2.gz FWSMFBZPIFORKP-LLVKDONJSA-N 2 0 244.383 -0.277 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653104351 409799161 /nfs/dbraw/zinc/79/91/61/409799161.db2.gz FWSMFBZPIFORKP-NSHDSACASA-N 2 0 244.383 -0.277 20 0 BBADRP CCN1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653104796 409798529 /nfs/dbraw/zinc/79/85/29/409798529.db2.gz UZPRBKMSFCKPMI-LLVKDONJSA-N 2 0 242.367 -0.571 20 0 BBADRP CCN1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653104797 409796968 /nfs/dbraw/zinc/79/69/68/409796968.db2.gz UZPRBKMSFCKPMI-NSHDSACASA-N 2 0 242.367 -0.571 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105240 409797866 /nfs/dbraw/zinc/79/78/66/409797866.db2.gz NDSALESDBWVMGR-JQWIXIFHSA-N 2 0 241.335 -0.710 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000653105371 409796873 /nfs/dbraw/zinc/79/68/73/409796873.db2.gz RUTFFSQPUGHBTB-JTQLQIEISA-N 2 0 244.383 -0.278 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000653105372 409797738 /nfs/dbraw/zinc/79/77/38/409797738.db2.gz RUTFFSQPUGHBTB-SNVBAGLBSA-N 2 0 244.383 -0.278 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC[NH+]1CCCC1 ZINC000653105974 409796688 /nfs/dbraw/zinc/79/66/88/409796688.db2.gz OHXBOPKHCVLXRQ-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NCC[NH+]1CCCC1 ZINC000653105975 409797389 /nfs/dbraw/zinc/79/73/89/409797389.db2.gz OHXBOPKHCVLXRQ-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1c[nH]ccc1=O ZINC000653111576 491110945 /nfs/dbraw/zinc/11/09/45/491110945.db2.gz SZGWGPZEUJVCMY-MRVPVSSYSA-N 2 0 238.291 -0.408 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)Nc1c[nH]ccc1=O ZINC000653111577 491110949 /nfs/dbraw/zinc/11/09/49/491110949.db2.gz SZGWGPZEUJVCMY-QMMMGPOBSA-N 2 0 238.291 -0.408 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000653112370 487687816 /nfs/dbraw/zinc/68/78/16/487687816.db2.gz WTDSSDMXZXNYLI-GHMZBOCLSA-N 3 0 242.367 -0.524 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000653112371 487687276 /nfs/dbraw/zinc/68/72/76/487687276.db2.gz WTDSSDMXZXNYLI-MNOVXSKESA-N 3 0 242.367 -0.524 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000653112372 487687741 /nfs/dbraw/zinc/68/77/41/487687741.db2.gz WTDSSDMXZXNYLI-QWRGUYRKSA-N 3 0 242.367 -0.524 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000653112373 487687795 /nfs/dbraw/zinc/68/77/95/487687795.db2.gz WTDSSDMXZXNYLI-WDEREUQCSA-N 3 0 242.367 -0.524 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](N)CC[NH+](C)C ZINC000653112787 487687661 /nfs/dbraw/zinc/68/76/61/487687661.db2.gz JZHKBBGSTASGIJ-GHMZBOCLSA-N 2 0 244.383 -0.278 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653112788 409823282 /nfs/dbraw/zinc/82/32/82/409823282.db2.gz JZHKBBGSTASGIJ-MNOVXSKESA-N 2 0 244.383 -0.278 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653112789 409823484 /nfs/dbraw/zinc/82/34/84/409823484.db2.gz JZHKBBGSTASGIJ-QWRGUYRKSA-N 2 0 244.383 -0.278 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](N)CC[NH+](C)C ZINC000653112790 409824108 /nfs/dbraw/zinc/82/41/08/409824108.db2.gz JZHKBBGSTASGIJ-WDEREUQCSA-N 2 0 244.383 -0.278 20 0 BBADRP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[NH+](C)C ZINC000653113133 409821239 /nfs/dbraw/zinc/82/12/39/409821239.db2.gz UGQJCTLKYWSAOX-NHCYSSNCSA-N 2 0 241.335 -0.711 20 0 BBADRP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[NH+](C)C ZINC000653113134 409822248 /nfs/dbraw/zinc/82/22/48/409822248.db2.gz UGQJCTLKYWSAOX-SCVCMEIPSA-N 2 0 241.335 -0.711 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@H+](C)C1CC1 ZINC000653113185 409821868 /nfs/dbraw/zinc/82/18/68/409821868.db2.gz VSRQUGITVBPRQV-LLVKDONJSA-N 2 0 242.367 -0.524 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NCC[N@H+](C)C1CC1 ZINC000653113186 409822679 /nfs/dbraw/zinc/82/26/79/409822679.db2.gz VSRQUGITVBPRQV-NSHDSACASA-N 2 0 242.367 -0.524 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653115117 409830412 /nfs/dbraw/zinc/83/04/12/409830412.db2.gz DAMFEVOFJBVNGK-LLVKDONJSA-N 2 0 244.383 -0.278 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653115118 409830312 /nfs/dbraw/zinc/83/03/12/409830312.db2.gz DAMFEVOFJBVNGK-NSHDSACASA-N 2 0 244.383 -0.278 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653127009 409838738 /nfs/dbraw/zinc/83/87/38/409838738.db2.gz SZIRZRYMXNFSGW-JTQLQIEISA-N 2 0 230.356 -0.619 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653127010 409837882 /nfs/dbraw/zinc/83/78/82/409837882.db2.gz SZIRZRYMXNFSGW-SNVBAGLBSA-N 2 0 230.356 -0.619 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653127011 409838474 /nfs/dbraw/zinc/83/84/74/409838474.db2.gz UAASVWNFIKIJIB-JQWIXIFHSA-N 2 0 241.335 -0.662 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653127488 409838671 /nfs/dbraw/zinc/83/86/71/409838671.db2.gz CVMWNPRJAXFBRO-LLVKDONJSA-N 2 0 243.351 -0.272 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653127489 409839447 /nfs/dbraw/zinc/83/94/47/409839447.db2.gz CVMWNPRJAXFBRO-NSHDSACASA-N 2 0 243.351 -0.272 20 0 BBADRP O=C(NCC1C[NH2+]C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653127619 409838323 /nfs/dbraw/zinc/83/83/23/409838323.db2.gz OWFZWCUJWSQYOM-GHMZBOCLSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C(NCC1C[NH2+]C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653127620 409838209 /nfs/dbraw/zinc/83/82/09/409838209.db2.gz OWFZWCUJWSQYOM-MNOVXSKESA-N 2 0 223.320 -0.147 20 0 BBADRP O=C(NCC1C[NH2+]C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653127621 409839358 /nfs/dbraw/zinc/83/93/58/409839358.db2.gz OWFZWCUJWSQYOM-QWRGUYRKSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C(NCC1C[NH2+]C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653127622 409838361 /nfs/dbraw/zinc/83/83/61/409838361.db2.gz OWFZWCUJWSQYOM-WDEREUQCSA-N 2 0 223.320 -0.147 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653127636 409838148 /nfs/dbraw/zinc/83/81/48/409838148.db2.gz PUZMNUJMWNBARP-NHCYSSNCSA-N 2 0 239.319 -0.924 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC1 ZINC000653127637 409839100 /nfs/dbraw/zinc/83/91/00/409839100.db2.gz PUZMNUJMWNBARP-UMNHJUIQSA-N 2 0 239.319 -0.924 20 0 BBADRP COCC[NH2+]CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653127749 409839245 /nfs/dbraw/zinc/83/92/45/409839245.db2.gz ZTKYXMWUMMQAJO-WDEREUQCSA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653128441 409841180 /nfs/dbraw/zinc/84/11/80/409841180.db2.gz DULQRQVOXFZHJQ-QXEWZRGKSA-N 2 0 227.308 -0.924 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653128442 409840937 /nfs/dbraw/zinc/84/09/37/409840937.db2.gz DULQRQVOXFZHJQ-YWVKMMECSA-N 2 0 227.308 -0.924 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000653128646 409840703 /nfs/dbraw/zinc/84/07/03/409840703.db2.gz QCZFBUFBWUOREN-GMTAPVOTSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000653128647 409841474 /nfs/dbraw/zinc/84/14/74/409841474.db2.gz QCZFBUFBWUOREN-MXWKQRLJSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000653128648 409841562 /nfs/dbraw/zinc/84/15/62/409841562.db2.gz QCZFBUFBWUOREN-OUAUKWLOSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000653128649 409840975 /nfs/dbraw/zinc/84/09/75/409840975.db2.gz QCZFBUFBWUOREN-VWYCJHECSA-N 2 0 242.367 -0.526 20 0 BBADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCC1 ZINC000653129028 409844326 /nfs/dbraw/zinc/84/43/26/409844326.db2.gz KVKOQFQOKDSSBT-CABZTGNLSA-N 2 0 239.319 -0.780 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653130311 409847309 /nfs/dbraw/zinc/84/73/09/409847309.db2.gz CFZXJPBVSFGTAN-FKTZTGRPSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653130312 409846558 /nfs/dbraw/zinc/84/65/58/409846558.db2.gz CFZXJPBVSFGTAN-JEZHCXPESA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653130313 409846621 /nfs/dbraw/zinc/84/66/21/409846621.db2.gz CFZXJPBVSFGTAN-QNSHHTMESA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653130314 409846138 /nfs/dbraw/zinc/84/61/38/409846138.db2.gz CFZXJPBVSFGTAN-SZEHBUNVSA-N 2 0 211.309 -0.020 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000653130540 409847217 /nfs/dbraw/zinc/84/72/17/409847217.db2.gz RNEWFIXAXWSAIJ-GARJFASQSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000653130541 409846958 /nfs/dbraw/zinc/84/69/58/409846958.db2.gz RNEWFIXAXWSAIJ-HBNTYKKESA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653131736 409849642 /nfs/dbraw/zinc/84/96/42/409849642.db2.gz WTYCUENGURZDSL-GMTAPVOTSA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653131737 409850705 /nfs/dbraw/zinc/85/07/05/409850705.db2.gz WTYCUENGURZDSL-MXWKQRLJSA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653131738 409848997 /nfs/dbraw/zinc/84/89/97/409848997.db2.gz WTYCUENGURZDSL-OUAUKWLOSA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653131739 409850337 /nfs/dbraw/zinc/85/03/37/409850337.db2.gz WTYCUENGURZDSL-VWYCJHECSA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653135548 409854138 /nfs/dbraw/zinc/85/41/38/409854138.db2.gz HYBGLCRRNVZKOM-AXFHLTTASA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1C ZINC000653135549 409853729 /nfs/dbraw/zinc/85/37/29/409853729.db2.gz HYBGLCRRNVZKOM-DCAQKATOSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1C ZINC000653135550 409853762 /nfs/dbraw/zinc/85/37/62/409853762.db2.gz HYBGLCRRNVZKOM-GARJFASQSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653135551 409854597 /nfs/dbraw/zinc/85/45/97/409854597.db2.gz HYBGLCRRNVZKOM-HBNTYKKESA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653135887 409853681 /nfs/dbraw/zinc/85/36/81/409853681.db2.gz UBTJCNVJDYCGOG-AXFHLTTASA-N 2 0 242.367 -0.478 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653135888 409854365 /nfs/dbraw/zinc/85/43/65/409854365.db2.gz UBTJCNVJDYCGOG-DCAQKATOSA-N 2 0 242.367 -0.478 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653136339 409857025 /nfs/dbraw/zinc/85/70/25/409857025.db2.gz MTSIZFUSCADSMN-FXBDTBDDSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653136340 409856243 /nfs/dbraw/zinc/85/62/43/409856243.db2.gz MTSIZFUSCADSMN-HGNGGELXSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653136341 409856325 /nfs/dbraw/zinc/85/63/25/409856325.db2.gz MTSIZFUSCADSMN-SFGNSQDASA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653136342 409856469 /nfs/dbraw/zinc/85/64/69/409856469.db2.gz MTSIZFUSCADSMN-UJNFCWOMSA-N 2 0 211.309 -0.020 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653136651 409856491 /nfs/dbraw/zinc/85/64/91/409856491.db2.gz ZBBIVLLBLQPLRI-SCVCMEIPSA-N 2 0 241.335 -0.663 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653140873 409864851 /nfs/dbraw/zinc/86/48/51/409864851.db2.gz NPDASZZYUISVTH-GMOBBJLQSA-N 2 0 239.319 -0.830 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000653142286 487702324 /nfs/dbraw/zinc/70/23/24/487702324.db2.gz GEGISUWKKAFKMJ-DSPMHBFJSA-N 2 0 223.320 -0.162 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653142498 409865960 /nfs/dbraw/zinc/86/59/60/409865960.db2.gz MWLUSPINWYXSSB-KZZRWZIVSA-N 2 0 235.331 -0.149 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653142499 409865606 /nfs/dbraw/zinc/86/56/06/409865606.db2.gz MWLUSPINWYXSSB-LVEVGFFFSA-N 2 0 235.331 -0.149 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653142500 409866027 /nfs/dbraw/zinc/86/60/27/409866027.db2.gz MWLUSPINWYXSSB-RNWYCLNJSA-N 2 0 235.331 -0.149 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653142501 409865893 /nfs/dbraw/zinc/86/58/93/409865893.db2.gz MWLUSPINWYXSSB-ROHXPCBUSA-N 2 0 235.331 -0.149 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCC[NH2+]CC1 ZINC000653142847 409867890 /nfs/dbraw/zinc/86/78/90/409867890.db2.gz YRAMSUGMAAWQNH-UKKRHICBSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]CC1 ZINC000653142848 409866418 /nfs/dbraw/zinc/86/64/18/409866418.db2.gz YRAMSUGMAAWQNH-ZNSHCXBVSA-N 2 0 223.320 -0.290 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653144246 409867301 /nfs/dbraw/zinc/86/73/01/409867301.db2.gz KOBAPKGTNOLUFR-NHCYSSNCSA-N 2 0 241.335 -0.534 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653144247 409867199 /nfs/dbraw/zinc/86/71/99/409867199.db2.gz KOBAPKGTNOLUFR-SCVCMEIPSA-N 2 0 241.335 -0.534 20 0 BBADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H](C)[NH3+] ZINC000653144319 409867238 /nfs/dbraw/zinc/86/72/38/409867238.db2.gz NQDPBWOQMNMOLS-DKIAZLNASA-N 2 0 227.308 -0.926 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653144320 409867622 /nfs/dbraw/zinc/86/76/22/409867622.db2.gz NQDPBWOQMNMOLS-HJGDQZAQSA-N 2 0 227.308 -0.926 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653144321 409868071 /nfs/dbraw/zinc/86/80/71/409868071.db2.gz NQDPBWOQMNMOLS-KBIXCLLPSA-N 2 0 227.308 -0.926 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653144322 409867173 /nfs/dbraw/zinc/86/71/73/409867173.db2.gz NQDPBWOQMNMOLS-REIXXSIJSA-N 2 0 227.308 -0.926 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653144862 409870242 /nfs/dbraw/zinc/87/02/42/409870242.db2.gz JPQDNBFIKKPSNI-NGZCFLSTSA-N 2 0 227.308 -0.924 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653144863 409870325 /nfs/dbraw/zinc/87/03/25/409870325.db2.gz JPQDNBFIKKPSNI-QXEWZRGKSA-N 2 0 227.308 -0.924 20 0 BBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)C1CC([NH3+])C1 ZINC000653145357 409868828 /nfs/dbraw/zinc/86/88/28/409868828.db2.gz LDKJPLUXEUYGIO-RTBKNWGFSA-N 2 0 228.340 -0.787 20 0 BBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)C1CC([NH3+])C1 ZINC000653145358 409869557 /nfs/dbraw/zinc/86/95/57/409869557.db2.gz LDKJPLUXEUYGIO-UDNWOFFPSA-N 2 0 228.340 -0.787 20 0 BBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)C1(C[NH3+])CCC1 ZINC000653145850 409870042 /nfs/dbraw/zinc/87/00/42/409870042.db2.gz UUCJDZISYZCKKN-JTQLQIEISA-N 2 0 242.367 -0.395 20 0 BBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)C1(C[NH3+])CCC1 ZINC000653145851 409869027 /nfs/dbraw/zinc/86/90/27/409869027.db2.gz UUCJDZISYZCKKN-SNVBAGLBSA-N 2 0 242.367 -0.395 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000653147460 409871600 /nfs/dbraw/zinc/87/16/00/409871600.db2.gz HAHMMXGVUHKDBP-NXEZZACHSA-N 2 0 242.367 -0.478 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000653147461 409872543 /nfs/dbraw/zinc/87/25/43/409872543.db2.gz HAHMMXGVUHKDBP-UWVGGRQHSA-N 2 0 242.367 -0.478 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000653147462 409872697 /nfs/dbraw/zinc/87/26/97/409872697.db2.gz HAHMMXGVUHKDBP-VHSXEESVSA-N 2 0 242.367 -0.478 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000653147463 409872808 /nfs/dbraw/zinc/87/28/08/409872808.db2.gz HAHMMXGVUHKDBP-ZJUUUORDSA-N 2 0 242.367 -0.478 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000653148170 409871279 /nfs/dbraw/zinc/87/12/79/409871279.db2.gz QMMJFIFXGAQNQG-JTQLQIEISA-N 2 0 242.367 -0.524 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000653148171 409871818 /nfs/dbraw/zinc/87/18/18/409871818.db2.gz QMMJFIFXGAQNQG-SNVBAGLBSA-N 2 0 242.367 -0.524 20 0 BBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H](C[NH3+])C1CC1 ZINC000653162356 410099771 /nfs/dbraw/zinc/09/97/71/410099771.db2.gz CBMKFEPWRUKYRS-GHMZBOCLSA-N 2 0 242.367 -0.539 20 0 BBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H](C[NH3+])C1CC1 ZINC000653162357 410100329 /nfs/dbraw/zinc/10/03/29/410100329.db2.gz CBMKFEPWRUKYRS-MNOVXSKESA-N 2 0 242.367 -0.539 20 0 BBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H](C[NH3+])C1CC1 ZINC000653162358 410101521 /nfs/dbraw/zinc/10/15/21/410101521.db2.gz CBMKFEPWRUKYRS-QWRGUYRKSA-N 2 0 242.367 -0.539 20 0 BBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H](C[NH3+])C1CC1 ZINC000653162359 410101674 /nfs/dbraw/zinc/10/16/74/410101674.db2.gz CBMKFEPWRUKYRS-WDEREUQCSA-N 2 0 242.367 -0.539 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000653162939 410107014 /nfs/dbraw/zinc/10/70/14/410107014.db2.gz VWWXMMQUOYZXTJ-NXEZZACHSA-N 2 0 244.383 -0.245 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000653162940 410106685 /nfs/dbraw/zinc/10/66/85/410106685.db2.gz VWWXMMQUOYZXTJ-UWVGGRQHSA-N 2 0 244.383 -0.245 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000653162941 410106718 /nfs/dbraw/zinc/10/67/18/410106718.db2.gz VWWXMMQUOYZXTJ-VHSXEESVSA-N 2 0 244.383 -0.245 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000653162942 410106764 /nfs/dbraw/zinc/10/67/64/410106764.db2.gz VWWXMMQUOYZXTJ-ZJUUUORDSA-N 2 0 244.383 -0.245 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000653163265 410109192 /nfs/dbraw/zinc/10/91/92/410109192.db2.gz PCAGHBJIVJPRKD-GARJFASQSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000653163266 410109208 /nfs/dbraw/zinc/10/92/08/410109208.db2.gz PCAGHBJIVJPRKD-HBNTYKKESA-N 2 0 241.335 -0.392 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653163427 410109324 /nfs/dbraw/zinc/10/93/24/410109324.db2.gz YCYMDUJHHOCOSB-GHMZBOCLSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653163428 410109350 /nfs/dbraw/zinc/10/93/50/410109350.db2.gz YCYMDUJHHOCOSB-MNOVXSKESA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]CC1 ZINC000653163429 410108978 /nfs/dbraw/zinc/10/89/78/410108978.db2.gz YCYMDUJHHOCOSB-QWRGUYRKSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]CC1 ZINC000653163430 410109730 /nfs/dbraw/zinc/10/97/30/410109730.db2.gz YCYMDUJHHOCOSB-WDEREUQCSA-N 2 0 241.335 -0.519 20 0 BBADRP CN(CC[NH3+])C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653163580 410110585 /nfs/dbraw/zinc/11/05/85/410110585.db2.gz ICVHGNPKLYNZGZ-NXEZZACHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653163581 410110726 /nfs/dbraw/zinc/11/07/26/410110726.db2.gz ICVHGNPKLYNZGZ-UWVGGRQHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(CC[NH3+])C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653163582 410110553 /nfs/dbraw/zinc/11/05/53/410110553.db2.gz ICVHGNPKLYNZGZ-VHSXEESVSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653163583 410110764 /nfs/dbraw/zinc/11/07/64/410110764.db2.gz ICVHGNPKLYNZGZ-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653164601 410119605 /nfs/dbraw/zinc/11/96/05/410119605.db2.gz YPJBGHFFLZYINE-JQWIXIFHSA-N 2 0 241.335 -0.710 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000653165788 410132711 /nfs/dbraw/zinc/13/27/11/410132711.db2.gz CSCPDMXOMRPICI-GMTAPVOTSA-N 2 0 242.367 -0.349 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000653165789 410132534 /nfs/dbraw/zinc/13/25/34/410132534.db2.gz CSCPDMXOMRPICI-OUAUKWLOSA-N 2 0 242.367 -0.349 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653166319 410131341 /nfs/dbraw/zinc/13/13/41/410131341.db2.gz COMMEGWUIAPPPC-GMOBBJLQSA-N 2 0 241.335 -0.536 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653166320 410131214 /nfs/dbraw/zinc/13/12/14/410131214.db2.gz COMMEGWUIAPPPC-SVDPJWKOSA-N 2 0 241.335 -0.536 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653166321 410131357 /nfs/dbraw/zinc/13/13/57/410131357.db2.gz COMMEGWUIAPPPC-WDCWCFNPSA-N 2 0 241.335 -0.536 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653166322 410131165 /nfs/dbraw/zinc/13/11/65/410131165.db2.gz COMMEGWUIAPPPC-WYFGTUCQSA-N 2 0 241.335 -0.536 20 0 BBADRP CO[C@H](C[NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653169446 410136937 /nfs/dbraw/zinc/13/69/37/410136937.db2.gz XMSSKMSQTFEXKH-SQLBVSGCSA-N 2 0 241.335 -0.310 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653169447 410137067 /nfs/dbraw/zinc/13/70/67/410137067.db2.gz XMSSKMSQTFEXKH-YZRBJQDESA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]CCOCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653170755 410139215 /nfs/dbraw/zinc/13/92/15/410139215.db2.gz XHLVZBSCOPMKMH-UHFFFAOYSA-N 2 0 241.335 -0.308 20 0 BBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC000653194482 410159707 /nfs/dbraw/zinc/15/97/07/410159707.db2.gz KKAXPYHZEAYRBR-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198236 410160083 /nfs/dbraw/zinc/16/00/83/410160083.db2.gz NTRDHFJNOSOAKB-JQWIXIFHSA-N 2 0 241.335 -0.451 20 0 BBADRP C[NH2+]Cc1ccccc1CNC(=O)C[NH3+] ZINC000653211358 410166500 /nfs/dbraw/zinc/16/65/00/410166500.db2.gz VPJONFJYBIREBN-UHFFFAOYSA-N 2 0 207.277 -0.019 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000653215380 491128355 /nfs/dbraw/zinc/12/83/55/491128355.db2.gz SCLGFDYJRVMWFY-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000653215381 491128362 /nfs/dbraw/zinc/12/83/62/491128362.db2.gz SCLGFDYJRVMWFY-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000653216437 490391504 /nfs/dbraw/zinc/39/15/04/490391504.db2.gz ZRWJOMALXOHMFA-SECBINFHSA-N 2 0 227.308 -0.780 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000653216438 490391484 /nfs/dbraw/zinc/39/14/84/490391484.db2.gz ZRWJOMALXOHMFA-VIFPVBQESA-N 2 0 227.308 -0.780 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000653221059 410169458 /nfs/dbraw/zinc/16/94/58/410169458.db2.gz FSJYLTZSSFLZHV-MYJAWHEDSA-N 2 0 223.320 -0.303 20 0 BBADRP CC1(OCC(=O)NCCC2(C[NH3+])CC2)C[NH2+]C1 ZINC000653221107 410168841 /nfs/dbraw/zinc/16/88/41/410168841.db2.gz IBKLYELIBLWRLL-UHFFFAOYSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]CC1(CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000653221188 410168759 /nfs/dbraw/zinc/16/87/59/410168759.db2.gz LVSNONDMCYNFBC-UHFFFAOYSA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000653221228 410168830 /nfs/dbraw/zinc/16/88/30/410168830.db2.gz ODESVPBASXYZBQ-BBBLOLIVSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+]CC1(CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000653221395 410171624 /nfs/dbraw/zinc/17/16/24/410171624.db2.gz VQSKBXWVNJOWCU-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000653222841 410171076 /nfs/dbraw/zinc/17/10/76/410171076.db2.gz RCDXGMUJHDVOGG-DTORHVGOSA-N 2 0 211.309 -0.031 20 0 BBADRP CC1(C(=O)NCCC2(C[NH3+])CC2)C[NH2+]C1 ZINC000653222961 410171182 /nfs/dbraw/zinc/17/11/82/410171182.db2.gz XLDKXABFRUZWJV-UHFFFAOYSA-N 2 0 211.309 -0.159 20 0 BBADRP [NH3+]CC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653226404 582803060 /nfs/dbraw/zinc/80/30/60/582803060.db2.gz YZQBQQRMXPRFQP-UHFFFAOYSA-N 2 0 211.240 -0.141 20 0 BBADRP C[C@@H]1CCCN(C(=O)COCC[NH3+])[C@@H]1CC[NH3+] ZINC000653232865 410175230 /nfs/dbraw/zinc/17/52/30/410175230.db2.gz KZXKVMSPYOMLCA-GHMZBOCLSA-N 2 0 243.351 -0.062 20 0 BBADRP C[C@@H]1CCCN(C(=O)COCC[NH3+])[C@H]1CC[NH3+] ZINC000653232866 410175408 /nfs/dbraw/zinc/17/54/08/410175408.db2.gz KZXKVMSPYOMLCA-MNOVXSKESA-N 2 0 243.351 -0.062 20 0 BBADRP C[C@H]1CCCN(C(=O)COCC[NH3+])[C@H]1CC[NH3+] ZINC000653232867 410174921 /nfs/dbraw/zinc/17/49/21/410174921.db2.gz KZXKVMSPYOMLCA-QWRGUYRKSA-N 2 0 243.351 -0.062 20 0 BBADRP C[C@H]1CCCN(C(=O)COCC[NH3+])[C@@H]1CC[NH3+] ZINC000653232868 410174959 /nfs/dbraw/zinc/17/49/59/410174959.db2.gz KZXKVMSPYOMLCA-WDEREUQCSA-N 2 0 243.351 -0.062 20 0 BBADRP CCO[C@@H]1CN(C(=O)C(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000653243369 410183261 /nfs/dbraw/zinc/18/32/61/410183261.db2.gz ANJKXDMNFNUMSK-RKDXNWHRSA-N 2 0 229.324 -0.454 20 0 BBADRP CCO[C@@H]1CN(C(=O)C[C@@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000653243416 410183567 /nfs/dbraw/zinc/18/35/67/410183567.db2.gz CBYBSQJHSAPOKQ-OPRDCNLKSA-N 2 0 229.324 -0.454 20 0 BBADRP CCO[C@@H]1CN(C(=O)C[NH2+]C)C[C@H]1C[NH3+] ZINC000653243534 410183285 /nfs/dbraw/zinc/18/32/85/410183285.db2.gz GGAPZXDKFAWEPJ-RKDXNWHRSA-N 2 0 215.297 -0.972 20 0 BBADRP CCO[C@@H]1CN(C(=O)C2([NH3+])CC2)C[C@H]1C[NH3+] ZINC000653243552 410183329 /nfs/dbraw/zinc/18/33/29/410183329.db2.gz HAUUNZRXPRKABL-RKDXNWHRSA-N 2 0 227.308 -0.700 20 0 BBADRP CCO[C@@H]1CN(C(=O)CCC[NH2+]C)C[C@H]1C[NH3+] ZINC000653243597 410183549 /nfs/dbraw/zinc/18/35/49/410183549.db2.gz HYGHFGFYKYKZLZ-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000653243709 410183439 /nfs/dbraw/zinc/18/34/39/410183439.db2.gz KZJAHJIHKHRICN-DJLDLDEBSA-N 2 0 215.297 -0.844 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000653243710 410183354 /nfs/dbraw/zinc/18/33/54/410183354.db2.gz KZJAHJIHKHRICN-IWSPIJDZSA-N 2 0 215.297 -0.844 20 0 BBADRP CCO[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@H]1C[NH3+] ZINC000653243732 410183588 /nfs/dbraw/zinc/18/35/88/410183588.db2.gz LWMFTLGGAGPGGD-NXEZZACHSA-N 2 0 243.351 -0.207 20 0 BBADRP CCO[C@@H]1CN(C(=O)CC[NH3+])C[C@H]1C[NH3+] ZINC000653243831 410183229 /nfs/dbraw/zinc/18/32/29/410183229.db2.gz OWILPSIHDLKFRB-RKDXNWHRSA-N 2 0 215.297 -0.843 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H](C)C[NH2+]C)C[C@H]1C[NH3+] ZINC000653243898 410183493 /nfs/dbraw/zinc/18/34/93/410183493.db2.gz QQBZEDOGAJUOTE-GMTAPVOTSA-N 2 0 243.351 -0.336 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H](C)C[NH2+]C)C[C@H]1C[NH3+] ZINC000653243899 410183157 /nfs/dbraw/zinc/18/31/57/410183157.db2.gz QQBZEDOGAJUOTE-HBNTYKKESA-N 2 0 243.351 -0.336 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653243925 410183555 /nfs/dbraw/zinc/18/35/55/410183555.db2.gz RGPJHUGLPURMPG-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653243926 410183171 /nfs/dbraw/zinc/18/31/71/410183171.db2.gz RGPJHUGLPURMPG-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000653244070 410183608 /nfs/dbraw/zinc/18/36/08/410183608.db2.gz WWLBGBKJWKTQJB-GMTAPVOTSA-N 2 0 243.351 -0.208 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000653244071 410183138 /nfs/dbraw/zinc/18/31/38/410183138.db2.gz WWLBGBKJWKTQJB-MXWKQRLJSA-N 2 0 243.351 -0.208 20 0 BBADRP CCO[C@@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000653244091 410183178 /nfs/dbraw/zinc/18/31/78/410183178.db2.gz XFGCMTKXCUXNFX-NXEZZACHSA-N 2 0 243.351 -0.064 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC)C[C@H]1C[NH3+] ZINC000653244120 410183203 /nfs/dbraw/zinc/18/32/03/410183203.db2.gz XWSVIPJVZIBGJR-KXUCPTDWSA-N 2 0 229.324 -0.454 20 0 BBADRP CCO[C@@H]1CN(C(=O)CCC[NH3+])C[C@H]1C[NH3+] ZINC000653244138 487988532 /nfs/dbraw/zinc/98/85/32/487988532.db2.gz YOFKVUXMHADLHD-NXEZZACHSA-N 2 0 229.324 -0.453 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C[NH3+] ZINC000653247453 410199310 /nfs/dbraw/zinc/19/93/10/410199310.db2.gz BCMBNYHFOAHSSZ-HBNTYKKESA-N 2 0 243.351 -0.241 20 0 BBADRP CCO[C@@H]1CN(C(=O)C2([NH3+])CCC2)C[C@H]1C[NH3+] ZINC000653247455 410200512 /nfs/dbraw/zinc/20/05/12/410200512.db2.gz BDORWBVMSIDEDI-NXEZZACHSA-N 2 0 241.335 -0.310 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C[NH3+] ZINC000653247490 410202606 /nfs/dbraw/zinc/20/26/06/410202606.db2.gz DELZMBIYQRYBAE-OPRDCNLKSA-N 2 0 227.308 -0.830 20 0 BBADRP CCO[C@@H]1CN(C(=O)CC[NH2+]C)C[C@H]1C[NH3+] ZINC000653247516 410201951 /nfs/dbraw/zinc/20/19/51/410201951.db2.gz GBTYWZXBONHZAE-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000653247603 410201853 /nfs/dbraw/zinc/20/18/53/410201853.db2.gz JVYANUIUXWGLLP-GWOFURMSSA-N 2 0 243.351 -0.208 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H](C)[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000653247604 410203458 /nfs/dbraw/zinc/20/34/58/410203458.db2.gz JVYANUIUXWGLLP-LMLFDSFASA-N 2 0 243.351 -0.208 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000653247605 410202617 /nfs/dbraw/zinc/20/26/17/410202617.db2.gz JVYANUIUXWGLLP-LNFKQOIKSA-N 2 0 243.351 -0.208 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H](C)[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000653247606 410202632 /nfs/dbraw/zinc/20/26/32/410202632.db2.gz JVYANUIUXWGLLP-UKKRHICBSA-N 2 0 243.351 -0.208 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H](C)C[NH3+])C[C@H]1C[NH3+] ZINC000653247645 410202531 /nfs/dbraw/zinc/20/25/31/410202531.db2.gz LPIGYZGJBARHMH-IVZWLZJFSA-N 2 0 229.324 -0.597 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H](C)C[NH3+])C[C@H]1C[NH3+] ZINC000653247646 410203432 /nfs/dbraw/zinc/20/34/32/410203432.db2.gz LPIGYZGJBARHMH-OPRDCNLKSA-N 2 0 229.324 -0.597 20 0 BBADRP CCO[C@@H]1CN(C(=O)CC[C@@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000653247689 410201804 /nfs/dbraw/zinc/20/18/04/410201804.db2.gz NMLYFKPOTQPPFY-GMTAPVOTSA-N 2 0 243.351 -0.064 20 0 BBADRP CCO[C@@H]1CN(C(=O)CC[C@H](C)[NH3+])C[C@H]1C[NH3+] ZINC000653247690 410202137 /nfs/dbraw/zinc/20/21/37/410202137.db2.gz NMLYFKPOTQPPFY-HBNTYKKESA-N 2 0 243.351 -0.064 20 0 BBADRP CCO[C@@H]1CN(C(=O)CCCC[NH3+])C[C@H]1C[NH3+] ZINC000653247756 410203409 /nfs/dbraw/zinc/20/34/09/410203409.db2.gz QEEKIHFJBZOJFG-GHMZBOCLSA-N 2 0 243.351 -0.062 20 0 BBADRP CCO[C@@H]1CN(C(=O)C[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000653247909 410202789 /nfs/dbraw/zinc/20/27/89/410202789.db2.gz XTFFPLZDPCWXGQ-MWLCHTKSSA-N 2 0 241.335 -0.439 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CC)C[C@H]1C[NH3+] ZINC000653247916 410202128 /nfs/dbraw/zinc/20/21/28/410202128.db2.gz XWSVIPJVZIBGJR-OPRDCNLKSA-N 2 0 229.324 -0.454 20 0 BBADRP CCO[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000653248071 410202784 /nfs/dbraw/zinc/20/27/84/410202784.db2.gz BURIQXBCZUSYCP-NXEZZACHSA-N 2 0 241.335 -0.582 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000653249357 410206353 /nfs/dbraw/zinc/20/63/53/410206353.db2.gz YMEFMXUHWUOUOY-CHWFTXMASA-N 2 0 241.335 -0.454 20 0 BBADRP [NH3+]CCC1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000653256285 410237544 /nfs/dbraw/zinc/23/75/44/410237544.db2.gz KJPLOSQHWRLQMV-ZJUUUORDSA-N 2 0 211.309 -0.079 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256452 410236695 /nfs/dbraw/zinc/23/66/95/410236695.db2.gz NFUYQJWAAYOJMD-JTQLQIEISA-N 2 0 229.324 -0.453 20 0 BBADRP [NH3+]CCC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000653256577 410238188 /nfs/dbraw/zinc/23/81/88/410238188.db2.gz BYYNGXIRKJNXGY-LLVKDONJSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000653257305 410240711 /nfs/dbraw/zinc/24/07/11/410240711.db2.gz BYYNGXIRKJNXGY-NSHDSACASA-N 2 0 241.335 -0.438 20 0 BBADRP O=C(NCCC1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC000653267295 410313098 /nfs/dbraw/zinc/31/30/98/410313098.db2.gz NQJAVMDESDVEEC-LLVKDONJSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(NCCC1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC000653267296 410313136 /nfs/dbraw/zinc/31/31/36/410313136.db2.gz NQJAVMDESDVEEC-NSHDSACASA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CCOCC(=O)NCCC1CC[NH2+]CC1 ZINC000653267485 410312499 /nfs/dbraw/zinc/31/24/99/410312499.db2.gz QRLGKQJLBCFVGY-UHFFFAOYSA-N 2 0 229.324 -0.532 20 0 BBADRP COCC[NH2+]CC(=O)NCCC1CC[NH2+]CC1 ZINC000653267706 410317196 /nfs/dbraw/zinc/31/71/96/410317196.db2.gz UZBGAIRJGNNJBP-UHFFFAOYSA-N 2 0 243.351 -0.272 20 0 BBADRP [NH3+]C1(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000653267903 410318793 /nfs/dbraw/zinc/31/87/93/410318793.db2.gz YHIRHGFELLDRKD-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCC1CC[NH2+]CC1 ZINC000653272379 410538662 /nfs/dbraw/zinc/53/86/62/410538662.db2.gz KXUBMZNZSWDRTA-LLVKDONJSA-N 2 0 243.351 -0.144 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCC1CC[NH2+]CC1 ZINC000653272380 410537981 /nfs/dbraw/zinc/53/79/81/410537981.db2.gz KXUBMZNZSWDRTA-NSHDSACASA-N 2 0 243.351 -0.144 20 0 BBADRP O=C(NCCC1CC[NH2+]CC1)[C@H]1CC[NH2+]1 ZINC000653272521 410539907 /nfs/dbraw/zinc/53/99/07/410539907.db2.gz RTBUOOAMYOEFRW-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(NCCC1CC[NH2+]CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000653272536 410540478 /nfs/dbraw/zinc/54/04/78/410540478.db2.gz SJTFDINPXOIMAR-GDNZZTSVSA-N 2 0 237.347 -0.042 20 0 BBADRP CN(CC[NH+]1CCCCC1)C(=O)COCC[NH3+] ZINC000653274374 410554387 /nfs/dbraw/zinc/55/43/87/410554387.db2.gz DXWOFUOJQFSRLB-UHFFFAOYSA-N 2 0 243.351 -0.094 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000653346658 491106599 /nfs/dbraw/zinc/10/65/99/491106599.db2.gz CJDXITUOYCKWQP-JTQLQIEISA-N 2 0 244.383 -0.230 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000653346659 491106612 /nfs/dbraw/zinc/10/66/12/491106612.db2.gz CJDXITUOYCKWQP-SNVBAGLBSA-N 2 0 244.383 -0.230 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000653444894 411256256 /nfs/dbraw/zinc/25/62/56/411256256.db2.gz ZKXIODKDCZPRLX-NXEZZACHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000653444895 411255771 /nfs/dbraw/zinc/25/57/71/411255771.db2.gz ZKXIODKDCZPRLX-UWVGGRQHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000653444896 411255828 /nfs/dbraw/zinc/25/58/28/411255828.db2.gz ZKXIODKDCZPRLX-VHSXEESVSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)COC1(C)C[NH2+]C1 ZINC000653444897 411256528 /nfs/dbraw/zinc/25/65/28/411256528.db2.gz ZKXIODKDCZPRLX-ZJUUUORDSA-N 2 0 241.335 -0.297 20 0 BBADRP Cn1cncc1CCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562747 411422312 /nfs/dbraw/zinc/42/23/12/411422312.db2.gz IMIZMGMLLCFUBG-TXEJJXNPSA-N 2 0 239.319 -0.220 20 0 BBADRP C[NH+](C)[C@H]1CN(C[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000653684902 411178030 /nfs/dbraw/zinc/17/80/30/411178030.db2.gz HDYRHCCKNYPVFN-SRVKXCTJSA-N 2 0 227.352 -0.313 20 0 BBADRP C[NH+](C)[C@H]1CN(C[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000653684903 411178239 /nfs/dbraw/zinc/17/82/39/411178239.db2.gz HDYRHCCKNYPVFN-WOPDTQHZSA-N 2 0 227.352 -0.313 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000653694709 411186674 /nfs/dbraw/zinc/18/66/74/411186674.db2.gz OHURSVMTUQQHGU-AGIUHOORSA-N 2 0 241.379 -0.065 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000653694710 411186616 /nfs/dbraw/zinc/18/66/16/411186616.db2.gz OHURSVMTUQQHGU-AVGNSLFASA-N 2 0 241.379 -0.065 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000653694711 411186525 /nfs/dbraw/zinc/18/65/25/411186525.db2.gz OHURSVMTUQQHGU-FRRDWIJNSA-N 2 0 241.379 -0.065 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000653694712 411186533 /nfs/dbraw/zinc/18/65/33/411186533.db2.gz OHURSVMTUQQHGU-RWMBFGLXSA-N 2 0 241.379 -0.065 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1C[C@H](O)C[C@@H]1COC ZINC000653778681 488181851 /nfs/dbraw/zinc/18/18/51/488181851.db2.gz KSUXQHVROSVDCS-IJLUTSLNSA-N 2 0 246.351 -0.619 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1C[C@H](O)C[C@H]1COC ZINC000653778683 488181413 /nfs/dbraw/zinc/18/14/13/488181413.db2.gz KSUXQHVROSVDCS-QJPTWQEYSA-N 2 0 246.351 -0.619 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H]1COC ZINC000653778685 488181298 /nfs/dbraw/zinc/18/12/98/488181298.db2.gz KSUXQHVROSVDCS-TUAOUCFPSA-N 2 0 246.351 -0.619 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](O)C[C@@H]1COC ZINC000653778687 488181929 /nfs/dbraw/zinc/18/19/29/488181929.db2.gz KSUXQHVROSVDCS-UTUOFQBUSA-N 2 0 246.351 -0.619 20 0 BBADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000655094739 411494480 /nfs/dbraw/zinc/49/44/80/411494480.db2.gz WPKFSNRMJYRICO-DCAQKATOSA-N 2 0 241.335 -0.929 20 0 BBADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000655094741 411494069 /nfs/dbraw/zinc/49/40/69/411494069.db2.gz WPKFSNRMJYRICO-VWYCJHECSA-N 2 0 241.335 -0.929 20 0 BBADRP C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000655096043 411494268 /nfs/dbraw/zinc/49/42/68/411494268.db2.gz ZGSNVPWNISISJG-GUBZILKMSA-N 2 0 229.324 -0.930 20 0 BBADRP C[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+](C)C ZINC000655296987 409832381 /nfs/dbraw/zinc/83/23/81/409832381.db2.gz XJHJGBGCADPSPE-GARJFASQSA-N 2 0 241.335 -0.786 20 0 BBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000655410650 410213231 /nfs/dbraw/zinc/21/32/31/410213231.db2.gz GYCSFDUPSIUUQW-CMPLNLGQSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000655410651 410213829 /nfs/dbraw/zinc/21/38/29/410213829.db2.gz GYCSFDUPSIUUQW-JQWIXIFHSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000655410652 410213688 /nfs/dbraw/zinc/21/36/88/410213688.db2.gz GYCSFDUPSIUUQW-PWSUYJOCSA-N 2 0 223.320 -0.192 20 0 BBADRP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000655410653 410213805 /nfs/dbraw/zinc/21/38/05/410213805.db2.gz GYCSFDUPSIUUQW-ZYHUDNBSSA-N 2 0 223.320 -0.192 20 0 BBADRP [NH3+]CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655411631 410216731 /nfs/dbraw/zinc/21/67/31/410216731.db2.gz DPYWSCXKPVNDNZ-GXSJLCMTSA-N 2 0 211.309 -0.159 20 0 BBADRP [NH3+]CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655411632 410216238 /nfs/dbraw/zinc/21/62/38/410216238.db2.gz DPYWSCXKPVNDNZ-KOLCDFICSA-N 2 0 211.309 -0.159 20 0 BBADRP [NH3+]CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655411633 410216778 /nfs/dbraw/zinc/21/67/78/410216778.db2.gz DPYWSCXKPVNDNZ-MWLCHTKSSA-N 2 0 211.309 -0.159 20 0 BBADRP [NH3+]CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655411634 410215067 /nfs/dbraw/zinc/21/50/67/410215067.db2.gz DPYWSCXKPVNDNZ-ONGXEEELSA-N 2 0 211.309 -0.159 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655412426 410216695 /nfs/dbraw/zinc/21/66/95/410216695.db2.gz SLVBOUQPAUXWDD-CKYFFXLPSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655412427 410215180 /nfs/dbraw/zinc/21/51/80/410215180.db2.gz SLVBOUQPAUXWDD-FOGDFJRCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655412428 410215841 /nfs/dbraw/zinc/21/58/41/410215841.db2.gz SLVBOUQPAUXWDD-JFGNBEQYSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655412429 410214926 /nfs/dbraw/zinc/21/49/26/410214926.db2.gz SLVBOUQPAUXWDD-SCVCMEIPSA-N 2 0 223.320 -0.064 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655415806 410220740 /nfs/dbraw/zinc/22/07/40/410220740.db2.gz HXHYPBHSPXLYBU-GXSJLCMTSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655415807 410222086 /nfs/dbraw/zinc/22/20/86/410222086.db2.gz HXHYPBHSPXLYBU-KOLCDFICSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655415808 410221723 /nfs/dbraw/zinc/22/17/23/410221723.db2.gz HXHYPBHSPXLYBU-MWLCHTKSSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655415809 410220592 /nfs/dbraw/zinc/22/05/92/410220592.db2.gz HXHYPBHSPXLYBU-ONGXEEELSA-N 2 0 211.309 -0.288 20 0 BBADRP O=C(CC[NH2+]C1CC1)NCC[NH2+]C1CC1 ZINC000655416269 410222374 /nfs/dbraw/zinc/22/23/74/410222374.db2.gz NGMFQDCYHFADEO-UHFFFAOYSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 ZINC000655418959 410223946 /nfs/dbraw/zinc/22/39/46/410223946.db2.gz IDDHWIISFBGZFB-GXSJLCMTSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 ZINC000655418960 410225823 /nfs/dbraw/zinc/22/58/23/410225823.db2.gz IDDHWIISFBGZFB-KOLCDFICSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 ZINC000655418961 410225746 /nfs/dbraw/zinc/22/57/46/410225746.db2.gz IDDHWIISFBGZFB-MWLCHTKSSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 ZINC000655418962 410225525 /nfs/dbraw/zinc/22/55/25/410225525.db2.gz IDDHWIISFBGZFB-ONGXEEELSA-N 2 0 241.335 -0.297 20 0 BBADRP CN1CCN(C(=O)CC[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000655419059 410226933 /nfs/dbraw/zinc/22/69/33/410226933.db2.gz KSFXXNLAPCXGAV-LLVKDONJSA-N 2 0 240.351 -0.770 20 0 BBADRP CN1CCN(C(=O)CC[NH2+]C2CC2)[C@@H](C[NH3+])C1 ZINC000655419060 410227361 /nfs/dbraw/zinc/22/73/61/410227361.db2.gz KSFXXNLAPCXGAV-NSHDSACASA-N 2 0 240.351 -0.770 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000655445899 410268033 /nfs/dbraw/zinc/26/80/33/410268033.db2.gz RBEGMXIZJCLRDF-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+][C@@H](C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000655446325 410269004 /nfs/dbraw/zinc/26/90/04/410269004.db2.gz ODPBOQUSXMHZHX-VIFPVBQESA-N 2 0 239.323 -0.009 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000655449201 488037691 /nfs/dbraw/zinc/03/76/91/488037691.db2.gz OYQPBTQCNVGGGE-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655449858 488038011 /nfs/dbraw/zinc/03/80/11/488038011.db2.gz SLVBOUQPAUXWDD-HOSYDEDBSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655449859 488037992 /nfs/dbraw/zinc/03/79/92/488037992.db2.gz SLVBOUQPAUXWDD-JBLDHEPKSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655449860 488037648 /nfs/dbraw/zinc/03/76/48/488037648.db2.gz SLVBOUQPAUXWDD-NHCYSSNCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655449861 488038005 /nfs/dbraw/zinc/03/80/05/488038005.db2.gz SLVBOUQPAUXWDD-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 ZINC000655453078 488069565 /nfs/dbraw/zinc/06/95/65/488069565.db2.gz DBKWAJKCJTZYCA-JTQLQIEISA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 ZINC000655453080 488069284 /nfs/dbraw/zinc/06/92/84/488069284.db2.gz DBKWAJKCJTZYCA-SNVBAGLBSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655453149 410297343 /nfs/dbraw/zinc/29/73/43/410297343.db2.gz FTPMZILFPMXDTI-FXPVBKGRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655453151 410297512 /nfs/dbraw/zinc/29/75/12/410297512.db2.gz FTPMZILFPMXDTI-KKZNHRDASA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655453153 410297381 /nfs/dbraw/zinc/29/73/81/410297381.db2.gz FTPMZILFPMXDTI-WCABBAIRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655453155 410297064 /nfs/dbraw/zinc/29/70/64/410297064.db2.gz FTPMZILFPMXDTI-YWVKMMECSA-N 2 0 211.309 -0.161 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000655458889 487472198 /nfs/dbraw/zinc/47/21/98/487472198.db2.gz WHDMIKWBAAASHD-BBBLOLIVSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000655458890 487472479 /nfs/dbraw/zinc/47/24/79/487472479.db2.gz WHDMIKWBAAASHD-KXUCPTDWSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000655458891 487472528 /nfs/dbraw/zinc/47/25/28/487472528.db2.gz WHDMIKWBAAASHD-OPRDCNLKSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000655458892 487471967 /nfs/dbraw/zinc/47/19/67/487471967.db2.gz WHDMIKWBAAASHD-UTLUCORTSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655459302 410551851 /nfs/dbraw/zinc/55/18/51/410551851.db2.gz DLMJKKOYJWJAML-ATZCPNFKSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655459303 410551831 /nfs/dbraw/zinc/55/18/31/410551831.db2.gz DLMJKKOYJWJAML-IQJOONFLSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655459304 410552173 /nfs/dbraw/zinc/55/21/73/410552173.db2.gz DLMJKKOYJWJAML-NGZCFLSTSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655459305 410552092 /nfs/dbraw/zinc/55/20/92/410552092.db2.gz DLMJKKOYJWJAML-QXEWZRGKSA-N 2 0 211.309 -0.161 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)[NH2+]C ZINC000655460351 410572571 /nfs/dbraw/zinc/57/25/71/410572571.db2.gz LNSNBPLZTZYIEG-CIUDSAMLSA-N 2 0 217.288 -0.247 20 0 BBADRP O=C(CC[NH2+]C1CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000655462956 410634323 /nfs/dbraw/zinc/63/43/23/410634323.db2.gz AAAUZIHZDARIEJ-WPRPVWTQSA-N 2 0 229.299 -0.055 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000655463600 410644511 /nfs/dbraw/zinc/64/45/11/410644511.db2.gz RVLQDUWQNZGNLQ-FXQIFTODSA-N 2 0 203.261 -0.590 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000655463611 410644647 /nfs/dbraw/zinc/64/46/47/410644647.db2.gz SBAFOAFBFGCQBG-DTWKUNHWSA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000655463614 410644558 /nfs/dbraw/zinc/64/45/58/410644558.db2.gz SBAFOAFBFGCQBG-IUCAKERBSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655463673 410645318 /nfs/dbraw/zinc/64/53/18/410645318.db2.gz TVLNVEWAZYWARH-OOTJXSFTSA-N 2 0 235.331 -0.290 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655463674 410644917 /nfs/dbraw/zinc/64/49/17/410644917.db2.gz TVLNVEWAZYWARH-OQEOFVATSA-N 2 0 235.331 -0.290 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655463675 410645258 /nfs/dbraw/zinc/64/52/58/410645258.db2.gz TVLNVEWAZYWARH-UGCHFJIKSA-N 2 0 235.331 -0.290 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655463676 410644716 /nfs/dbraw/zinc/64/47/16/410644716.db2.gz TVLNVEWAZYWARH-VLLVSFFDSA-N 2 0 235.331 -0.290 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCCN1CCCOCC1 ZINC000655471814 410693462 /nfs/dbraw/zinc/69/34/62/410693462.db2.gz YNNVSSPDZKJZAX-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655479213 410716211 /nfs/dbraw/zinc/71/62/11/410716211.db2.gz MXHAGSBNWQHEEC-GXSJLCMTSA-N 2 0 211.309 -0.207 20 0 BBADRP CN(CC[NH3+])C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655479214 410716029 /nfs/dbraw/zinc/71/60/29/410716029.db2.gz MXHAGSBNWQHEEC-KOLCDFICSA-N 2 0 211.309 -0.207 20 0 BBADRP CN(CC[NH3+])C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655479215 410714764 /nfs/dbraw/zinc/71/47/64/410714764.db2.gz MXHAGSBNWQHEEC-MWLCHTKSSA-N 2 0 211.309 -0.207 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655479216 410715615 /nfs/dbraw/zinc/71/56/15/410715615.db2.gz MXHAGSBNWQHEEC-ONGXEEELSA-N 2 0 211.309 -0.207 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H](C)[NH2+]C)C[C@H]1C[NH3+] ZINC000655485717 410779551 /nfs/dbraw/zinc/77/95/51/410779551.db2.gz JEPFMVJOYBWDRG-IVZWLZJFSA-N 2 0 229.324 -0.584 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000655488496 410799022 /nfs/dbraw/zinc/79/90/22/410799022.db2.gz BLPXPBXOYWPARN-YYNVLWEHSA-N 2 0 237.347 -0.092 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000655488930 410800624 /nfs/dbraw/zinc/80/06/24/410800624.db2.gz JEYSMWNGDJZMOD-AXFHLTTASA-N 2 0 241.335 -0.569 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000655488931 410800445 /nfs/dbraw/zinc/80/04/45/410800445.db2.gz JEYSMWNGDJZMOD-OUAUKWLOSA-N 2 0 241.335 -0.569 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000655489024 410795520 /nfs/dbraw/zinc/79/55/20/410795520.db2.gz MEPJIBKHEKANEF-KXUCPTDWSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489416 410796999 /nfs/dbraw/zinc/79/69/99/410796999.db2.gz RBLRMNVOTYMMFQ-CHWFTXMASA-N 2 0 243.351 -0.053 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489417 410798484 /nfs/dbraw/zinc/79/84/84/410798484.db2.gz RBLRMNVOTYMMFQ-MMWGEVLESA-N 2 0 243.351 -0.053 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489418 410798650 /nfs/dbraw/zinc/79/86/50/410798650.db2.gz RBLRMNVOTYMMFQ-UKKRHICBSA-N 2 0 243.351 -0.053 20 0 BBADRP C[C@H](CNC(=O)[C@H](C)[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489419 410798678 /nfs/dbraw/zinc/79/86/78/410798678.db2.gz RBLRMNVOTYMMFQ-ZNSHCXBVSA-N 2 0 243.351 -0.053 20 0 BBADRP COCC[NH2+]CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489584 410797051 /nfs/dbraw/zinc/79/70/51/410797051.db2.gz VDJUMIPJKQCLRL-PHIMTYICSA-N 2 0 243.351 -0.321 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[NH2+]CC1CC1)C(F)(F)F ZINC000655504604 411114961 /nfs/dbraw/zinc/11/49/61/411114961.db2.gz GDQJPEFAMDFFPF-SSDOTTSWSA-N 2 0 239.241 -0.008 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[NH2+]CC1CC1)C(F)(F)F ZINC000655504614 411115270 /nfs/dbraw/zinc/11/52/70/411115270.db2.gz GDQJPEFAMDFFPF-ZETCQYMHSA-N 2 0 239.241 -0.008 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655504633 411115380 /nfs/dbraw/zinc/11/53/80/411115380.db2.gz GOUMUFGRKOHAST-NTSWFWBYSA-N 2 0 227.230 -0.152 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655504634 411115365 /nfs/dbraw/zinc/11/53/65/411115365.db2.gz GOUMUFGRKOHAST-PHDIDXHHSA-N 2 0 227.230 -0.152 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655504635 411115102 /nfs/dbraw/zinc/11/51/02/411115102.db2.gz GOUMUFGRKOHAST-RITPCOANSA-N 2 0 227.230 -0.152 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655504636 411115079 /nfs/dbraw/zinc/11/50/79/411115079.db2.gz GOUMUFGRKOHAST-WDSKDSINSA-N 2 0 227.230 -0.152 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C1CC[NH2+]CC1)C(F)(F)F ZINC000655504769 411115225 /nfs/dbraw/zinc/11/52/25/411115225.db2.gz HPEXSPYOUVBXPU-SSDOTTSWSA-N 2 0 239.241 -0.008 20 0 BBADRP [NH3+]C[C@H](NC(=O)C1CC[NH2+]CC1)C(F)(F)F ZINC000655504770 411115395 /nfs/dbraw/zinc/11/53/95/411115395.db2.gz HPEXSPYOUVBXPU-ZETCQYMHSA-N 2 0 239.241 -0.008 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000655504783 411114993 /nfs/dbraw/zinc/11/49/93/411114993.db2.gz IBOZEXLNUFFIPZ-RNFRBKRXSA-N 2 0 239.241 -0.008 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000655504784 411115070 /nfs/dbraw/zinc/11/50/70/411115070.db2.gz IBOZEXLNUFFIPZ-RQJHMYQMSA-N 2 0 239.241 -0.008 20 0 BBADRP [NH3+]C[C@H](NC(=O)C1([NH3+])CC1)C(F)(F)F ZINC000655505166 487770373 /nfs/dbraw/zinc/77/03/73/487770373.db2.gz QSTPQIHKCIRORW-BYPYZUCNSA-N 2 0 211.187 -0.517 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C1([NH3+])CC1)C(F)(F)F ZINC000655505167 487770292 /nfs/dbraw/zinc/77/02/92/487770292.db2.gz QSTPQIHKCIRORW-SCSAIBSYSA-N 2 0 211.187 -0.517 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655505200 487770383 /nfs/dbraw/zinc/77/03/83/487770383.db2.gz RZKUKHKPFUEMGT-LURJTMIESA-N 2 0 243.229 -0.772 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655505201 487770409 /nfs/dbraw/zinc/77/04/09/487770409.db2.gz RZKUKHKPFUEMGT-ZCFIWIBFSA-N 2 0 243.229 -0.772 20 0 BBADRP C[NH2+]CCCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655505321 411115793 /nfs/dbraw/zinc/11/57/93/411115793.db2.gz WLYFUOPQVZHVEK-LURJTMIESA-N 2 0 227.230 -0.008 20 0 BBADRP C[NH2+]CCCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655505322 411115735 /nfs/dbraw/zinc/11/57/35/411115735.db2.gz WLYFUOPQVZHVEK-ZCFIWIBFSA-N 2 0 227.230 -0.008 20 0 BBADRP C[C@@]1(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000655505329 411115668 /nfs/dbraw/zinc/11/56/68/411115668.db2.gz WUELKUZPRZRLBK-HTRCEHHLSA-N 2 0 239.241 -0.008 20 0 BBADRP C[C@@]1(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000655505330 411115719 /nfs/dbraw/zinc/11/57/19/411115719.db2.gz WUELKUZPRZRLBK-POYBYMJQSA-N 2 0 239.241 -0.008 20 0 BBADRP C[C@]1(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000655505331 411115753 /nfs/dbraw/zinc/11/57/53/411115753.db2.gz WUELKUZPRZRLBK-SVRRBLITSA-N 2 0 239.241 -0.008 20 0 BBADRP C[C@]1(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000655505332 411115744 /nfs/dbraw/zinc/11/57/44/411115744.db2.gz WUELKUZPRZRLBK-XPUUQOCRSA-N 2 0 239.241 -0.008 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655505361 411115708 /nfs/dbraw/zinc/11/57/08/411115708.db2.gz XJXZYKCEDDZHMF-NTSWFWBYSA-N 2 0 225.214 -0.256 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655505364 411115661 /nfs/dbraw/zinc/11/56/61/411115661.db2.gz XJXZYKCEDDZHMF-WDSKDSINSA-N 2 0 225.214 -0.256 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655505387 411115800 /nfs/dbraw/zinc/11/58/00/411115800.db2.gz XXZGGWWWYXKUGX-RFZPGFLSSA-N 2 0 213.203 -0.271 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655505388 411115776 /nfs/dbraw/zinc/11/57/76/411115776.db2.gz XXZGGWWWYXKUGX-UHNVWZDZSA-N 2 0 213.203 -0.271 20 0 BBADRP CC(C)(C[NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655505389 411115804 /nfs/dbraw/zinc/11/58/04/411115804.db2.gz YASAFKOEBDADSA-RXMQYKEDSA-N 2 0 227.230 -0.023 20 0 BBADRP CC(C)(C[NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655505390 411115656 /nfs/dbraw/zinc/11/56/56/411115656.db2.gz YASAFKOEBDADSA-YFKPBYRVSA-N 2 0 227.230 -0.023 20 0 BBADRP [NH3+]CCCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655505427 490106749 /nfs/dbraw/zinc/10/67/49/490106749.db2.gz ZQNMBAKLJFMSQH-RXMQYKEDSA-N 2 0 213.203 -0.269 20 0 BBADRP [NH3+]CCCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655505428 490106702 /nfs/dbraw/zinc/10/67/02/490106702.db2.gz ZQNMBAKLJFMSQH-YFKPBYRVSA-N 2 0 213.203 -0.269 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000655515130 490175206 /nfs/dbraw/zinc/17/52/06/490175206.db2.gz HDNVZOMPWUVPLQ-RNFRBKRXSA-N 2 0 239.241 -0.008 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000655515131 490174698 /nfs/dbraw/zinc/17/46/98/490174698.db2.gz HDNVZOMPWUVPLQ-RQJHMYQMSA-N 2 0 239.241 -0.008 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515191 411182510 /nfs/dbraw/zinc/18/25/10/411182510.db2.gz IXSCPQBJLQPLAU-ACZMJKKPSA-N 2 0 239.241 -0.010 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515192 411182719 /nfs/dbraw/zinc/18/27/19/411182719.db2.gz IXSCPQBJLQPLAU-LYFYHCNISA-N 2 0 239.241 -0.010 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515193 411182860 /nfs/dbraw/zinc/18/28/60/411182860.db2.gz IXSCPQBJLQPLAU-RRKCRQDMSA-N 2 0 239.241 -0.010 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515194 411182346 /nfs/dbraw/zinc/18/23/46/411182346.db2.gz IXSCPQBJLQPLAU-XVMARJQXSA-N 2 0 239.241 -0.010 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515445 411183572 /nfs/dbraw/zinc/18/35/72/411183572.db2.gz JZXXDYLWNNUJQA-NTSWFWBYSA-N 2 0 239.241 -0.010 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515446 411183341 /nfs/dbraw/zinc/18/33/41/411183341.db2.gz JZXXDYLWNNUJQA-PHDIDXHHSA-N 2 0 239.241 -0.010 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515447 634536816 /nfs/dbraw/zinc/53/68/16/634536816.db2.gz JZXXDYLWNNUJQA-RITPCOANSA-N 2 0 239.241 -0.010 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515448 634536217 /nfs/dbraw/zinc/53/62/17/634536217.db2.gz JZXXDYLWNNUJQA-WDSKDSINSA-N 2 0 239.241 -0.010 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(F)(F)F ZINC000655516222 487896757 /nfs/dbraw/zinc/89/67/57/487896757.db2.gz QFMXAVKQUCKVDI-RFZPGFLSSA-N 2 0 211.187 -0.646 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]1CC[NH2+]1)C(F)(F)F ZINC000655516223 487896880 /nfs/dbraw/zinc/89/68/80/487896880.db2.gz QFMXAVKQUCKVDI-UHNVWZDZSA-N 2 0 211.187 -0.646 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516283 487897575 /nfs/dbraw/zinc/89/75/75/487897575.db2.gz RPQMFJDJILGNTN-HCWXCVPCSA-N 2 0 227.230 -0.025 20 0 BBADRP C[C@@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H](C)[NH3+] ZINC000655516284 487898173 /nfs/dbraw/zinc/89/81/73/487898173.db2.gz RPQMFJDJILGNTN-NGJCXOISSA-N 2 0 227.230 -0.025 20 0 BBADRP C[C@@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H](C)[NH3+] ZINC000655516285 487897690 /nfs/dbraw/zinc/89/76/90/487897690.db2.gz RPQMFJDJILGNTN-SRQIZXRXSA-N 2 0 227.230 -0.025 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516286 487897467 /nfs/dbraw/zinc/89/74/67/487897467.db2.gz RPQMFJDJILGNTN-ZLUOBGJFSA-N 2 0 227.230 -0.025 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[NH2+]C1CC1)C(F)(F)F ZINC000655516287 487898094 /nfs/dbraw/zinc/89/80/94/487898094.db2.gz RPVUAUAFPDCMMT-LURJTMIESA-N 2 0 225.214 -0.256 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[NH2+]C1CC1)C(F)(F)F ZINC000655516288 487897328 /nfs/dbraw/zinc/89/73/28/487897328.db2.gz RPVUAUAFPDCMMT-ZCFIWIBFSA-N 2 0 225.214 -0.256 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516612 487899065 /nfs/dbraw/zinc/89/90/65/487899065.db2.gz WYTKPPDVQUYHIY-CRCLSJGQSA-N 2 0 213.203 -0.413 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516613 487899122 /nfs/dbraw/zinc/89/91/22/487899122.db2.gz WYTKPPDVQUYHIY-RFZPGFLSSA-N 2 0 213.203 -0.413 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516614 487899071 /nfs/dbraw/zinc/89/90/71/487899071.db2.gz WYTKPPDVQUYHIY-UHNVWZDZSA-N 2 0 213.203 -0.413 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516615 487898663 /nfs/dbraw/zinc/89/86/63/487898663.db2.gz WYTKPPDVQUYHIY-WHFBIAKZSA-N 2 0 213.203 -0.413 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516748 411186599 /nfs/dbraw/zinc/18/65/99/411186599.db2.gz XZOFTNQBEDZQCN-NTSWFWBYSA-N 2 0 243.229 -0.644 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516749 411186577 /nfs/dbraw/zinc/18/65/77/411186577.db2.gz XZOFTNQBEDZQCN-PHDIDXHHSA-N 2 0 243.229 -0.644 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516751 411186910 /nfs/dbraw/zinc/18/69/10/411186910.db2.gz XZOFTNQBEDZQCN-RITPCOANSA-N 2 0 243.229 -0.644 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516754 411186955 /nfs/dbraw/zinc/18/69/55/411186955.db2.gz XZOFTNQBEDZQCN-WDSKDSINSA-N 2 0 243.229 -0.644 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655517067 490177430 /nfs/dbraw/zinc/17/74/30/490177430.db2.gz CBBFBZYGFUGQPB-CRCLSJGQSA-N 2 0 213.203 -0.400 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655517070 490177446 /nfs/dbraw/zinc/17/74/46/490177446.db2.gz CBBFBZYGFUGQPB-WHFBIAKZSA-N 2 0 213.203 -0.400 20 0 BBADRP CC1(C(=O)N[C@H](C[NH3+])C(F)(F)F)C[NH2+]C1 ZINC000655517836 487903884 /nfs/dbraw/zinc/90/38/84/487903884.db2.gz GWBYUXKOWALLHG-RXMQYKEDSA-N 2 0 225.214 -0.398 20 0 BBADRP CC1(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C[NH2+]C1 ZINC000655517837 487903266 /nfs/dbraw/zinc/90/32/66/487903266.db2.gz GWBYUXKOWALLHG-YFKPBYRVSA-N 2 0 225.214 -0.398 20 0 BBADRP C[NH+](C)CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922826 411157943 /nfs/dbraw/zinc/15/79/43/411157943.db2.gz SSCLUCYTGOFZCC-LURJTMIESA-N 2 0 242.245 -0.263 20 0 BBADRP C[NH+](C)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922830 411157938 /nfs/dbraw/zinc/15/79/38/411157938.db2.gz SSCLUCYTGOFZCC-ZCFIWIBFSA-N 2 0 242.245 -0.263 20 0 BBADRP O[C@@H]1C[C@H]2CN(C[C@@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000655945939 411161286 /nfs/dbraw/zinc/16/12/86/411161286.db2.gz ICLBWZDJIAYIQI-GRYCIOLGSA-N 2 0 225.336 -0.653 20 0 BBADRP O[C@@H]1C[C@H]2CN(C[C@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000655945940 411161327 /nfs/dbraw/zinc/16/13/27/411161327.db2.gz ICLBWZDJIAYIQI-SDDRHHMPSA-N 2 0 225.336 -0.653 20 0 BBADRP O[C@@H]1C[C@H]2CN(CC[C@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000655946470 411161180 /nfs/dbraw/zinc/16/11/80/411161180.db2.gz LWLLYGBCDWJHCU-FRRDWIJNSA-N 2 0 239.363 -0.263 20 0 BBADRP O[C@@H]1C[C@H]2CN(CC[C@@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000655946474 411161753 /nfs/dbraw/zinc/16/17/53/411161753.db2.gz LWLLYGBCDWJHCU-RWMBFGLXSA-N 2 0 239.363 -0.263 20 0 BBADRP C[C@@H](O)C[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000655948969 411161227 /nfs/dbraw/zinc/16/12/27/411161227.db2.gz JFMFUOOPGQIPCX-LLVKDONJSA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@H](O)C[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000655948970 411161237 /nfs/dbraw/zinc/16/12/37/411161237.db2.gz JFMFUOOPGQIPCX-NSHDSACASA-N 2 0 227.352 -0.263 20 0 BBADRP C[C@@H](O)C[N@H+](CCOCC[NH3+])C1CC1 ZINC000655949315 411161543 /nfs/dbraw/zinc/16/15/43/411161543.db2.gz TXYKJSUBMWUQPW-SECBINFHSA-N 2 0 202.298 -0.193 20 0 BBADRP C[C@H](O)C[N@H+](CCOCC[NH3+])C1CC1 ZINC000655949316 411161480 /nfs/dbraw/zinc/16/14/80/411161480.db2.gz TXYKJSUBMWUQPW-VIFPVBQESA-N 2 0 202.298 -0.193 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[NH3+])C1 ZINC000655961362 411163069 /nfs/dbraw/zinc/16/30/69/411163069.db2.gz OVTWPTPQAMTXAB-DTORHVGOSA-N 2 0 214.313 -0.416 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC[NH3+])C1 ZINC000655961893 411163184 /nfs/dbraw/zinc/16/31/84/411163184.db2.gz BTWVGOQOCMRJRL-AOOOYVTPSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655962831 411164375 /nfs/dbraw/zinc/16/43/75/411164375.db2.gz ROTIUIVECSTWTQ-AOOOYVTPSA-N 2 0 228.340 -0.155 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000655963007 411164429 /nfs/dbraw/zinc/16/44/29/411164429.db2.gz FCNLUAHEBNDFIQ-GARJFASQSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655966141 411164917 /nfs/dbraw/zinc/16/49/17/411164917.db2.gz OROFECOXYNXAOY-BBBLOLIVSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655967384 411164086 /nfs/dbraw/zinc/16/40/86/411164086.db2.gz UAZOUGWEAUBAOQ-BBBLOLIVSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655967385 411164314 /nfs/dbraw/zinc/16/43/14/411164314.db2.gz UAZOUGWEAUBAOQ-LPEHRKFASA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH2+]CC2)C1 ZINC000655970928 411165325 /nfs/dbraw/zinc/16/53/25/411165325.db2.gz NJHMPQVDHGLGMA-PHIMTYICSA-N 2 0 240.351 -0.059 20 0 BBADRP CN(CC[NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655970950 411165259 /nfs/dbraw/zinc/16/52/59/411165259.db2.gz OBDQPJHVRORQDS-AOOOYVTPSA-N 2 0 228.340 -0.073 20 0 BBADRP COC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656154650 411188934 /nfs/dbraw/zinc/18/89/34/411188934.db2.gz YZLGFJHRTNJVSW-AXFHLTTASA-N 2 0 216.325 -0.077 20 0 BBADRP COC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656154651 411188231 /nfs/dbraw/zinc/18/82/31/411188231.db2.gz YZLGFJHRTNJVSW-OUAUKWLOSA-N 2 0 216.325 -0.077 20 0 BBADRP CC(C)([NH3+])CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656193884 411199871 /nfs/dbraw/zinc/19/98/71/411199871.db2.gz WXOHWINZWUCPIQ-VHSXEESVSA-N 2 0 213.325 -0.526 20 0 BBADRP C[C@]1(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]C1 ZINC000656193947 411199226 /nfs/dbraw/zinc/19/92/26/411199226.db2.gz ZIGUTXLATYUENI-XQQFMLRXSA-N 2 0 239.363 -0.263 20 0 BBADRP C[C@@]1(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]C1 ZINC000656193948 411200070 /nfs/dbraw/zinc/20/00/70/411200070.db2.gz ZIGUTXLATYUENI-YNEHKIRRSA-N 2 0 239.363 -0.263 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656198411 411203342 /nfs/dbraw/zinc/20/33/42/411203342.db2.gz UROANMCYANUOLW-GARJFASQSA-N 2 0 215.341 -0.232 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198413 411203264 /nfs/dbraw/zinc/20/32/64/411203264.db2.gz UROANMCYANUOLW-GMTAPVOTSA-N 2 0 215.341 -0.232 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198414 411202893 /nfs/dbraw/zinc/20/28/93/411202893.db2.gz UROANMCYANUOLW-HBNTYKKESA-N 2 0 215.341 -0.232 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198415 411202835 /nfs/dbraw/zinc/20/28/35/411202835.db2.gz UROANMCYANUOLW-OUAUKWLOSA-N 2 0 215.341 -0.232 20 0 BBADRP [NH3+]CCn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000656433729 411246388 /nfs/dbraw/zinc/24/63/88/411246388.db2.gz YWTWQNMBPBXDRB-SECBINFHSA-N 2 0 209.297 -0.221 20 0 BBADRP [NH3+]CCn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000656433730 411246607 /nfs/dbraw/zinc/24/66/07/411246607.db2.gz YWTWQNMBPBXDRB-VIFPVBQESA-N 2 0 209.297 -0.221 20 0 BBADRP C[NH+]1CCN(Cc2cn(CCC[NH3+])nn2)CC1 ZINC000656436200 411248158 /nfs/dbraw/zinc/24/81/58/411248158.db2.gz QFKPITWULWPLQG-UHFFFAOYSA-N 2 0 238.339 -0.626 20 0 BBADRP C[NH+](C)CCCn1cc([C@H]2COCCN2)nn1 ZINC000656437149 411248765 /nfs/dbraw/zinc/24/87/65/411248765.db2.gz IOFPKJHFRPAPBN-LLVKDONJSA-N 2 0 239.323 -0.109 20 0 BBADRP C[NH+](C)CCCn1cc([C@@H]2COCCN2)nn1 ZINC000656437150 411248418 /nfs/dbraw/zinc/24/84/18/411248418.db2.gz IOFPKJHFRPAPBN-NSHDSACASA-N 2 0 239.323 -0.109 20 0 BBADRP C[C@H]([NH3+])Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000656456619 411265471 /nfs/dbraw/zinc/26/54/71/411265471.db2.gz GMADUOJBJKVFNF-JTQLQIEISA-N 2 0 238.339 -0.627 20 0 BBADRP C[C@@H](C[NH3+])n1cc(CN2CC[NH+](C)CC2)nn1 ZINC000656457842 411266260 /nfs/dbraw/zinc/26/62/60/411266260.db2.gz HDGJLBRBGQDZCP-JTQLQIEISA-N 2 0 238.339 -0.455 20 0 BBADRP C[C@H](C[NH3+])n1cc(CN2CC[NH+](C)CC2)nn1 ZINC000656457843 411266548 /nfs/dbraw/zinc/26/65/48/411266548.db2.gz HDGJLBRBGQDZCP-SNVBAGLBSA-N 2 0 238.339 -0.455 20 0 BBADRP C[C@@H]([NH3+])Cn1cc(CCN2CCOCC2)nn1 ZINC000656463262 411270733 /nfs/dbraw/zinc/27/07/33/411270733.db2.gz LWQJMVGOHKVRRI-SNVBAGLBSA-N 2 0 239.323 -0.500 20 0 BBADRP CN(CCC[NH+](C)C)CCNC1=[NH+]CCCN1 ZINC000656508412 411288694 /nfs/dbraw/zinc/28/86/94/411288694.db2.gz BSXSWUQOHZPEOM-UHFFFAOYSA-N 2 0 241.383 -0.191 20 0 BBADRP CN(CCC[NH+](C)C)CCNC(N)=[NH2+] ZINC000656508542 411288364 /nfs/dbraw/zinc/28/83/64/411288364.db2.gz LAQWYWYCEGJQFK-UHFFFAOYSA-N 2 0 201.318 -0.647 20 0 BBADRP [NH3+]CCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000656787702 411365583 /nfs/dbraw/zinc/36/55/83/411365583.db2.gz SFLSCWHYFXFUEC-JTQLQIEISA-N 2 0 209.297 -0.051 20 0 BBADRP [NH3+]CCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000656787703 411365954 /nfs/dbraw/zinc/36/59/54/411365954.db2.gz SFLSCWHYFXFUEC-SNVBAGLBSA-N 2 0 209.297 -0.051 20 0 BBADRP CO[C@@H]1CS(=O)(=O)[C@H]2CN(CCC[NH3+])C[C@H]21 ZINC000656792142 411372200 /nfs/dbraw/zinc/37/22/00/411372200.db2.gz OKCDCHOECUEWKR-AEJSXWLSSA-N 2 0 248.348 -0.921 20 0 BBADRP C[C@@H]1CN(CCC[NH3+])CCN1S(C)(=O)=O ZINC000656792670 411371893 /nfs/dbraw/zinc/37/18/93/411371893.db2.gz VHYZKMLOKWPCIU-SECBINFHSA-N 2 0 235.353 -0.699 20 0 BBADRP OCC(CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657378166 411486828 /nfs/dbraw/zinc/48/68/28/411486828.db2.gz ZAKPLYGMCIJGBM-UHFFFAOYSA-N 2 0 248.286 -0.290 20 0 BBADRP OC[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657454854 411515607 /nfs/dbraw/zinc/51/56/07/411515607.db2.gz MQBGQJJRAWEMJR-GFCCVEGCSA-N 2 0 248.286 -0.290 20 0 BBADRP OC[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657454856 411516400 /nfs/dbraw/zinc/51/64/00/411516400.db2.gz MQBGQJJRAWEMJR-LBPRGKRZSA-N 2 0 248.286 -0.290 20 0 BBADRP C[C@H](Cn1cncn1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000657974342 411184978 /nfs/dbraw/zinc/18/49/78/411184978.db2.gz OAWSDOISTSIADT-GHMZBOCLSA-N 2 0 239.323 -0.677 20 0 BBADRP C[C@H](Cn1cncn1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000657974343 411184983 /nfs/dbraw/zinc/18/49/83/411184983.db2.gz OAWSDOISTSIADT-MNOVXSKESA-N 2 0 239.323 -0.677 20 0 BBADRP C[C@@H](Cn1cncn1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000657974344 411185000 /nfs/dbraw/zinc/18/50/00/411185000.db2.gz OAWSDOISTSIADT-QWRGUYRKSA-N 2 0 239.323 -0.677 20 0 BBADRP C[C@@H](Cn1cncn1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000657974345 411184994 /nfs/dbraw/zinc/18/49/94/411184994.db2.gz OAWSDOISTSIADT-WDEREUQCSA-N 2 0 239.323 -0.677 20 0 BBADRP C[C@H](Cn1cncn1)[NH2+]CCOCC[NH+](C)C ZINC000657988280 487512610 /nfs/dbraw/zinc/51/26/10/487512610.db2.gz ZKZAUVYBHWVTIJ-LLVKDONJSA-N 2 0 241.339 -0.166 20 0 BBADRP C[C@@H](Cn1cncn1)[NH2+]CCOCC[NH+](C)C ZINC000657988281 487512869 /nfs/dbraw/zinc/51/28/69/487512869.db2.gz ZKZAUVYBHWVTIJ-NSHDSACASA-N 2 0 241.339 -0.166 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000659248392 411382304 /nfs/dbraw/zinc/38/23/04/411382304.db2.gz IZXQJHJXGQQBAR-ZJUUUORDSA-N 2 0 229.324 -0.312 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000659289705 411179716 /nfs/dbraw/zinc/17/97/16/411179716.db2.gz DXEUGYXOMAFKKU-VIFPVBQESA-N 2 0 217.313 -0.454 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000659292191 411207399 /nfs/dbraw/zinc/20/73/99/411207399.db2.gz XEKQRRRBFREBBH-UWVGGRQHSA-N 2 0 229.324 -0.408 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000659292197 411207120 /nfs/dbraw/zinc/20/71/20/411207120.db2.gz XEKQRRRBFREBBH-VHSXEESVSA-N 2 0 229.324 -0.408 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000659292327 411388789 /nfs/dbraw/zinc/38/87/89/411388789.db2.gz AQFSFGZSJPPSIX-JTQLQIEISA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000659294480 411221031 /nfs/dbraw/zinc/22/10/31/411221031.db2.gz KDIMYUGLWXRQBH-JTQLQIEISA-N 2 0 229.324 -0.393 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659294594 411220828 /nfs/dbraw/zinc/22/08/28/411220828.db2.gz MLNOTHWGJCQXNQ-MNOVXSKESA-N 2 0 243.351 -0.003 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659294598 411220965 /nfs/dbraw/zinc/22/09/65/411220965.db2.gz MLNOTHWGJCQXNQ-QWRGUYRKSA-N 2 0 243.351 -0.003 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000659294882 411390307 /nfs/dbraw/zinc/39/03/07/411390307.db2.gz PRNUUZDBBMYXCN-UWVGGRQHSA-N 2 0 229.324 -0.393 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000659294883 411390315 /nfs/dbraw/zinc/39/03/15/411390315.db2.gz PRNUUZDBBMYXCN-ZJUUUORDSA-N 2 0 229.324 -0.393 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000659295861 411225848 /nfs/dbraw/zinc/22/58/48/411225848.db2.gz GEXJIMMEDANUSE-CMPLNLGQSA-N 2 0 243.351 -0.018 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000659295863 411225857 /nfs/dbraw/zinc/22/58/57/411225857.db2.gz GEXJIMMEDANUSE-JQWIXIFHSA-N 2 0 243.351 -0.018 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000659295895 411390147 /nfs/dbraw/zinc/39/01/47/411390147.db2.gz GVGZAWHOYFWNPB-AXFHLTTASA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000659295896 411389724 /nfs/dbraw/zinc/38/97/24/411389724.db2.gz GVGZAWHOYFWNPB-DCAQKATOSA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000659295898 411389373 /nfs/dbraw/zinc/38/93/73/411389373.db2.gz GVGZAWHOYFWNPB-MXWKQRLJSA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000659297497 487630017 /nfs/dbraw/zinc/63/00/17/487630017.db2.gz JNBXLSKQNVZZMH-QMMMGPOBSA-N 2 0 217.313 -0.408 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000659297547 411390232 /nfs/dbraw/zinc/39/02/32/411390232.db2.gz KDBQVWRHFUEKOK-UWVGGRQHSA-N 2 0 229.324 -0.441 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000659297550 411389940 /nfs/dbraw/zinc/38/99/40/411389940.db2.gz KDBQVWRHFUEKOK-ZJUUUORDSA-N 2 0 229.324 -0.441 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])COC(C)C)C1 ZINC000659299081 411391240 /nfs/dbraw/zinc/39/12/40/411391240.db2.gz FAOVMLPIZVSEQW-UWVGGRQHSA-N 2 0 229.324 -0.441 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])COC(C)C)C1 ZINC000659299082 411391284 /nfs/dbraw/zinc/39/12/84/411391284.db2.gz FAOVMLPIZVSEQW-ZJUUUORDSA-N 2 0 229.324 -0.441 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000659300972 411390937 /nfs/dbraw/zinc/39/09/37/411390937.db2.gz VATJUIQRLGMUMT-NSHDSACASA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000659303764 411391220 /nfs/dbraw/zinc/39/12/20/411391220.db2.gz VJGYGCXRHFNHET-AXFHLTTASA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000659303766 411390828 /nfs/dbraw/zinc/39/08/28/411390828.db2.gz VJGYGCXRHFNHET-DCAQKATOSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000659303768 411390746 /nfs/dbraw/zinc/39/07/46/411390746.db2.gz VJGYGCXRHFNHET-MXWKQRLJSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000659303769 411387097 /nfs/dbraw/zinc/38/70/97/411387097.db2.gz VJGYGCXRHFNHET-VWYCJHECSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000659304295 411296844 /nfs/dbraw/zinc/29/68/44/411296844.db2.gz ACFKNMRLJRUPOH-AXFHLTTASA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000659304296 411297201 /nfs/dbraw/zinc/29/72/01/411297201.db2.gz ACFKNMRLJRUPOH-DCAQKATOSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659304297 411296796 /nfs/dbraw/zinc/29/67/96/411296796.db2.gz ACFKNMRLJRUPOH-MXWKQRLJSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000659304298 411297179 /nfs/dbraw/zinc/29/71/79/411297179.db2.gz ACFKNMRLJRUPOH-VWYCJHECSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000659304711 411391698 /nfs/dbraw/zinc/39/16/98/411391698.db2.gz VYLITLCPLJSPHO-IUCAKERBSA-N 2 0 215.297 -0.783 20 0 BBADRP [NH3+]C1(C(=O)NCC2C[NH2+]C2)CC2(CCC2)C1 ZINC000659305829 411391720 /nfs/dbraw/zinc/39/17/20/411391720.db2.gz KRGZGKWKLOQCLI-UHFFFAOYSA-N 2 0 223.320 -0.016 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000659306560 411303154 /nfs/dbraw/zinc/30/31/54/411303154.db2.gz HCQGNTGNMIYRBM-NSHDSACASA-N 2 0 241.335 -0.225 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000659308677 411391801 /nfs/dbraw/zinc/39/18/01/411391801.db2.gz SKTLHABWKZVUHH-DCAQKATOSA-N 2 0 243.351 -0.147 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000659308678 411392404 /nfs/dbraw/zinc/39/24/04/411392404.db2.gz SKTLHABWKZVUHH-GARJFASQSA-N 2 0 243.351 -0.147 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000659308680 411309059 /nfs/dbraw/zinc/30/90/59/411309059.db2.gz SKTLHABWKZVUHH-OUAUKWLOSA-N 2 0 243.351 -0.147 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000659308683 411309566 /nfs/dbraw/zinc/30/95/66/411309566.db2.gz SKTLHABWKZVUHH-VWYCJHECSA-N 2 0 243.351 -0.147 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000659308891 411391679 /nfs/dbraw/zinc/39/16/79/411391679.db2.gz ZVCYKQFBONIXIY-ZJUUUORDSA-N 2 0 231.340 -0.147 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC000659309517 411392353 /nfs/dbraw/zinc/39/23/53/411392353.db2.gz YKUJQTRAWLWYTP-JTQLQIEISA-N 2 0 243.351 -0.003 20 0 BBADRP COC[C@]1(CNC(=O)C[NH2+]C(C)C)CCC[NH2+]1 ZINC000659309538 411391779 /nfs/dbraw/zinc/39/17/79/411391779.db2.gz YSEXIOSUTYSYDA-GFCCVEGCSA-N 2 0 243.351 -0.131 20 0 BBADRP COC[C@@]1(CNC(=O)C[NH2+]C(C)C)CCC[NH2+]1 ZINC000659309539 411391888 /nfs/dbraw/zinc/39/18/88/411391888.db2.gz YSEXIOSUTYSYDA-LBPRGKRZSA-N 2 0 243.351 -0.131 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000659312473 411335134 /nfs/dbraw/zinc/33/51/34/411335134.db2.gz YXODULDCAWHFGG-CMPLNLGQSA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000659312479 411335003 /nfs/dbraw/zinc/33/50/03/411335003.db2.gz YXODULDCAWHFGG-JQWIXIFHSA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000659312868 411336175 /nfs/dbraw/zinc/33/61/75/411336175.db2.gz AUNOCNKYMKVOGR-GUBZILKMSA-N 2 0 229.324 -0.313 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000659314306 411340106 /nfs/dbraw/zinc/34/01/06/411340106.db2.gz SEECGHCDKTZMNF-IUCAKERBSA-N 2 0 217.288 -0.199 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000659319129 411394852 /nfs/dbraw/zinc/39/48/52/411394852.db2.gz MHKQAWPWZQAUPV-UWVGGRQHSA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000659319130 411394011 /nfs/dbraw/zinc/39/40/11/411394011.db2.gz MHKQAWPWZQAUPV-VHSXEESVSA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659322492 411394237 /nfs/dbraw/zinc/39/42/37/411394237.db2.gz LWSQRIRUCUQISU-SECBINFHSA-N 2 0 215.297 -0.911 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659322495 411394613 /nfs/dbraw/zinc/39/46/13/411394613.db2.gz LWSQRIRUCUQISU-VIFPVBQESA-N 2 0 215.297 -0.911 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC(C)(C)CC[NH3+] ZINC000659323568 411351276 /nfs/dbraw/zinc/35/12/76/411351276.db2.gz CRSGWFRUECQGFJ-VIFPVBQESA-N 2 0 231.340 -0.018 20 0 BBADRP CC(C)[NH2+]CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000659329521 411395548 /nfs/dbraw/zinc/39/55/48/411395548.db2.gz JKDJVLRPIVMALX-LURJTMIESA-N 2 0 227.230 -0.010 20 0 BBADRP CC(C)[NH2+]CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000659329522 411395645 /nfs/dbraw/zinc/39/56/45/411395645.db2.gz JKDJVLRPIVMALX-ZCFIWIBFSA-N 2 0 227.230 -0.010 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000659343919 411372188 /nfs/dbraw/zinc/37/21/88/411372188.db2.gz LZLJNKNBONUYSV-UTLUCORTSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000659343947 411371906 /nfs/dbraw/zinc/37/19/06/411371906.db2.gz YTVLRPYHJMMLIW-HOSYDEDBSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000659343948 411372010 /nfs/dbraw/zinc/37/20/10/411372010.db2.gz YTVLRPYHJMMLIW-JBLDHEPKSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000659343949 411372001 /nfs/dbraw/zinc/37/20/01/411372001.db2.gz YTVLRPYHJMMLIW-NHCYSSNCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000659343950 411372038 /nfs/dbraw/zinc/37/20/38/411372038.db2.gz YTVLRPYHJMMLIW-UMNHJUIQSA-N 2 0 223.320 -0.146 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659385671 411408844 /nfs/dbraw/zinc/40/88/44/411408844.db2.gz QKXGNKJBUIQCDK-BBBLOLIVSA-N 2 0 247.314 -0.364 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659385948 411408866 /nfs/dbraw/zinc/40/88/66/411408866.db2.gz RMBRFJZIBLLQFJ-XLPZGREQSA-N 2 0 203.261 -0.508 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659386058 411408903 /nfs/dbraw/zinc/40/89/03/411408903.db2.gz UCJDIDNXIFRSQO-RKDXNWHRSA-N 2 0 217.288 -0.118 20 0 BBADRP CC1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[NH2+]C1 ZINC000659386819 411408402 /nfs/dbraw/zinc/40/84/02/411408402.db2.gz HXWMZSGVNRXZNJ-HTQZYQBOSA-N 2 0 215.272 -0.506 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[C@H]1F ZINC000659388285 487587359 /nfs/dbraw/zinc/58/73/59/487587359.db2.gz AERYOHPCYQPOLZ-RKDXNWHRSA-N 2 0 215.272 -0.364 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)C2([NH3+])CC2)CC[C@H]1F ZINC000659388309 411409719 /nfs/dbraw/zinc/40/97/19/411409719.db2.gz BCAKROONYFIVSS-RNFRBKRXSA-N 2 0 201.245 -0.625 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[C@H]1F ZINC000659388446 411409658 /nfs/dbraw/zinc/40/96/58/411409658.db2.gz HKUVWOUXPOSGIV-BWZBUEFSSA-N 2 0 201.245 -0.754 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[C@H]1F ZINC000659388574 411410484 /nfs/dbraw/zinc/41/04/84/411410484.db2.gz KKQJPIFRBSMSIS-NXEZZACHSA-N 2 0 245.298 -0.737 20 0 BBADRP CC1(OCC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[NH2+]C1 ZINC000659388583 411410329 /nfs/dbraw/zinc/41/03/29/411410329.db2.gz KNWUZTPLMQLAJB-RKDXNWHRSA-N 2 0 245.298 -0.737 20 0 BBADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388635 411410364 /nfs/dbraw/zinc/41/03/64/411410364.db2.gz LNQGIAOAANXTKZ-HTQZYQBOSA-N 2 0 217.288 -0.131 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000659388910 411410460 /nfs/dbraw/zinc/41/04/60/411410460.db2.gz NRQKXXVAPOVMEI-HLTSFMKQSA-N 2 0 215.272 -0.364 20 0 BBADRP C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000659388968 411410353 /nfs/dbraw/zinc/41/03/53/411410353.db2.gz OGFAHXBRABGVOJ-BZNPZCIMSA-N 2 0 217.288 -0.133 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388969 411409772 /nfs/dbraw/zinc/40/97/72/411409772.db2.gz OGFAHXBRABGVOJ-FNCVBFRFSA-N 2 0 217.288 -0.133 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388970 411404380 /nfs/dbraw/zinc/40/43/80/411404380.db2.gz OGFAHXBRABGVOJ-JQCXWYLXSA-N 2 0 217.288 -0.133 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388971 411404686 /nfs/dbraw/zinc/40/46/86/411404686.db2.gz OGFAHXBRABGVOJ-RBXMUDONSA-N 2 0 217.288 -0.133 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388972 411404976 /nfs/dbraw/zinc/40/49/76/411404976.db2.gz OGJSLLHVERUXDD-BWZBUEFSSA-N 2 0 203.261 -0.521 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388973 411405271 /nfs/dbraw/zinc/40/52/71/411405271.db2.gz OGJSLLHVERUXDD-XLPZGREQSA-N 2 0 203.261 -0.521 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389237 411410109 /nfs/dbraw/zinc/41/01/09/411410109.db2.gz QJBQUJSXGCKWDM-DJLDLDEBSA-N 2 0 217.288 -0.260 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389238 411410679 /nfs/dbraw/zinc/41/06/79/411410679.db2.gz QJBQUJSXGCKWDM-IWSPIJDZSA-N 2 0 217.288 -0.260 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000659389261 411410122 /nfs/dbraw/zinc/41/01/22/411410122.db2.gz ROSLQBJCDUODES-OPRDCNLKSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000659389425 411410529 /nfs/dbraw/zinc/41/05/29/411410529.db2.gz UKPLUJSRLFBKOK-FXPVBKGRSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000659389426 411410152 /nfs/dbraw/zinc/41/01/52/411410152.db2.gz UKPLUJSRLFBKOK-KKZNHRDASA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389582 487589867 /nfs/dbraw/zinc/58/98/67/487589867.db2.gz WZWAZXLYTNJYOB-AXTSPUMRSA-N 2 0 229.299 -0.118 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389740 411408315 /nfs/dbraw/zinc/40/83/15/411408315.db2.gz WZWAZXLYTNJYOB-SGIHWFKDSA-N 2 0 229.299 -0.118 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389741 411408560 /nfs/dbraw/zinc/40/85/60/411408560.db2.gz WZWAZXLYTNJYOB-UTINFBMNSA-N 2 0 229.299 -0.118 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389742 411408587 /nfs/dbraw/zinc/40/85/87/411408587.db2.gz WZWAZXLYTNJYOB-ZYUZMQFOSA-N 2 0 229.299 -0.118 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389744 411408122 /nfs/dbraw/zinc/40/81/22/411408122.db2.gz XFIWCNMKOHCCEH-HLTSFMKQSA-N 2 0 229.299 -0.118 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389745 411408948 /nfs/dbraw/zinc/40/89/48/411408948.db2.gz XFIWCNMKOHCCEH-IWSPIJDZSA-N 2 0 229.299 -0.118 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[C@H]1F ZINC000659389816 411409940 /nfs/dbraw/zinc/40/99/40/411409940.db2.gz ZTOHCUUADPVCGF-IVZWLZJFSA-N 2 0 245.298 -0.737 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[C@H]1F ZINC000659389819 411409786 /nfs/dbraw/zinc/40/97/86/411409786.db2.gz ZTOHCUUADPVCGF-OPRDCNLKSA-N 2 0 245.298 -0.737 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389885 411410481 /nfs/dbraw/zinc/41/04/81/411410481.db2.gz TVUQQIYOHUKXEE-RKDXNWHRSA-N 2 0 233.287 -0.880 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000659425845 411413464 /nfs/dbraw/zinc/41/34/64/411413464.db2.gz OSFORBPUPVGHGV-SECBINFHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000659425846 411413438 /nfs/dbraw/zinc/41/34/38/411413438.db2.gz OSFORBPUPVGHGV-VIFPVBQESA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000659441372 411415405 /nfs/dbraw/zinc/41/54/05/411415405.db2.gz SNQIHXKEVJBTDD-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000659441373 411415578 /nfs/dbraw/zinc/41/55/78/411415578.db2.gz SNQIHXKEVJBTDD-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000659441374 411415507 /nfs/dbraw/zinc/41/55/07/411415507.db2.gz SNQIHXKEVJBTDD-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000659441375 411415594 /nfs/dbraw/zinc/41/55/94/411415594.db2.gz SNQIHXKEVJBTDD-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+](C)CCOC ZINC000659448584 411416291 /nfs/dbraw/zinc/41/62/91/411416291.db2.gz FMNRDLXFBFPMNA-JTQLQIEISA-N 2 0 246.355 -0.528 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+](C)CCOC ZINC000659448585 411416346 /nfs/dbraw/zinc/41/63/46/411416346.db2.gz FMNRDLXFBFPMNA-SNVBAGLBSA-N 2 0 246.355 -0.528 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659448669 411416230 /nfs/dbraw/zinc/41/62/30/411416230.db2.gz JHYIETYHRXCMBQ-JTQLQIEISA-N 2 0 244.339 -0.774 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000659454898 411416533 /nfs/dbraw/zinc/41/65/33/411416533.db2.gz PPJUSRFFSKQGNK-SECBINFHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000659454899 411416567 /nfs/dbraw/zinc/41/65/67/411416567.db2.gz PPJUSRFFSKQGNK-VIFPVBQESA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000659484719 411419960 /nfs/dbraw/zinc/41/99/60/411419960.db2.gz PZXWXQLGCLUBNC-JTQLQIEISA-N 2 0 246.355 -0.528 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000659484721 411420159 /nfs/dbraw/zinc/42/01/59/411420159.db2.gz PZXWXQLGCLUBNC-SNVBAGLBSA-N 2 0 246.355 -0.528 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000659492557 411420982 /nfs/dbraw/zinc/42/09/82/411420982.db2.gz FZUPRRXJZDBOTN-BDAKNGLRSA-N 2 0 216.329 -0.156 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000659492558 411420714 /nfs/dbraw/zinc/42/07/14/411420714.db2.gz FZUPRRXJZDBOTN-IUCAKERBSA-N 2 0 216.329 -0.156 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659493890 411421305 /nfs/dbraw/zinc/42/13/05/411421305.db2.gz XRCXMSADMFVMNZ-BMQDGWLCSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000659501046 411423232 /nfs/dbraw/zinc/42/32/32/411423232.db2.gz GXIYAWKKBXSWKY-BDAKNGLRSA-N 2 0 216.329 -0.156 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000659501047 411423094 /nfs/dbraw/zinc/42/30/94/411423094.db2.gz GXIYAWKKBXSWKY-IUCAKERBSA-N 2 0 216.329 -0.156 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@H](C)C[NH2+]C ZINC000659504560 411423244 /nfs/dbraw/zinc/42/32/44/411423244.db2.gz DTTNNLMRLWIHFZ-MRVPVSSYSA-N 2 0 202.302 -0.497 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659504561 411419439 /nfs/dbraw/zinc/41/94/39/411419439.db2.gz DTTNNLMRLWIHFZ-QMMMGPOBSA-N 2 0 202.302 -0.497 20 0 BBADRP C[NH2+]CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659504564 487744063 /nfs/dbraw/zinc/74/40/63/487744063.db2.gz DWVVDDFNWQTAIQ-UHFFFAOYSA-N 2 0 226.324 -0.353 20 0 BBADRP C[NH2+]CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659504592 411423259 /nfs/dbraw/zinc/42/32/59/411423259.db2.gz FWBLZTDNPNCUEP-UHFFFAOYSA-N 2 0 226.324 -0.271 20 0 BBADRP C[NH2+]CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659504617 411423166 /nfs/dbraw/zinc/42/31/66/411423166.db2.gz GZFNSLDWLNGKRC-RKDXNWHRSA-N 2 0 232.303 -0.323 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC1CC[NH2+]CC1 ZINC000659504619 411423318 /nfs/dbraw/zinc/42/33/18/411423318.db2.gz GZYXXKLMXDTCSJ-MRVPVSSYSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC1CC[NH2+]CC1 ZINC000659504622 411423102 /nfs/dbraw/zinc/42/31/02/411423102.db2.gz GZYXXKLMXDTCSJ-QMMMGPOBSA-N 2 0 214.313 -0.355 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH2+]CC2)CC[C@H]1F ZINC000659504625 411422763 /nfs/dbraw/zinc/42/27/63/411422763.db2.gz HIXNYDLEWRKHCB-NXEZZACHSA-N 2 0 244.314 -0.181 20 0 BBADRP CC[NH2+]CCCNC(=O)N[C@H](C)C[NH2+]C ZINC000659504848 411422816 /nfs/dbraw/zinc/42/28/16/411422816.db2.gz BNIBSPVTDIHXME-SECBINFHSA-N 2 0 216.329 -0.107 20 0 BBADRP CC[NH2+]CCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659504849 411423125 /nfs/dbraw/zinc/42/31/25/411423125.db2.gz BNIBSPVTDIHXME-VIFPVBQESA-N 2 0 216.329 -0.107 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)NC1CC[NH2+]CC1 ZINC000659504942 487744993 /nfs/dbraw/zinc/74/49/93/487744993.db2.gz LVNMSPHKTJOBGQ-UHFFFAOYSA-N 2 0 238.335 -0.210 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)NC1CC[NH2+]CC1 ZINC000659505344 411422992 /nfs/dbraw/zinc/42/29/92/411422992.db2.gz ULOLQTUCCZKEEE-UHFFFAOYSA-N 2 0 238.335 -0.129 20 0 BBADRP C[NH2+]CCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659505494 411462903 /nfs/dbraw/zinc/46/29/03/411462903.db2.gz OSSPKRSMURQEGC-UHFFFAOYSA-N 2 0 216.329 -0.025 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC[NH3+] ZINC000659507335 411463552 /nfs/dbraw/zinc/46/35/52/411463552.db2.gz ICHVXXAKICDLFN-MRVPVSSYSA-N 2 0 202.302 -0.382 20 0 BBADRP [NH3+]CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659507461 411424139 /nfs/dbraw/zinc/42/41/39/411424139.db2.gz KQIJHUNFKWJRMP-UHFFFAOYSA-N 2 0 200.286 -0.484 20 0 BBADRP [NH3+]CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659508059 411424334 /nfs/dbraw/zinc/42/43/34/411424334.db2.gz QUKJJJDUBJTQDP-RNFRBKRXSA-N 2 0 204.249 -0.974 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH3+])C1 ZINC000659508845 411463971 /nfs/dbraw/zinc/46/39/71/411463971.db2.gz ZRNMXRKNDYMZBV-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])C1 ZINC000659508846 411464090 /nfs/dbraw/zinc/46/40/90/411464090.db2.gz ZRNMXRKNDYMZBV-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000659509017 411424107 /nfs/dbraw/zinc/42/41/07/411424107.db2.gz DBGXSQJHGHBWAP-NXEZZACHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000659509018 411424214 /nfs/dbraw/zinc/42/42/14/411424214.db2.gz DBGXSQJHGHBWAP-UWVGGRQHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000659509019 411424055 /nfs/dbraw/zinc/42/40/55/411424055.db2.gz DBGXSQJHGHBWAP-VHSXEESVSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000659509020 411424218 /nfs/dbraw/zinc/42/42/18/411424218.db2.gz DBGXSQJHGHBWAP-ZJUUUORDSA-N 2 0 228.340 -0.107 20 0 BBADRP [NH3+]CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659509238 411464405 /nfs/dbraw/zinc/46/44/05/411464405.db2.gz AHOXQNKEHVRZNM-UHFFFAOYSA-N 2 0 214.313 -0.094 20 0 BBADRP CN(CCC[NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000659509302 487749860 /nfs/dbraw/zinc/74/98/60/487749860.db2.gz AXUMODGUANWDEI-UHFFFAOYSA-N 2 0 214.313 -0.271 20 0 BBADRP [NH3+]CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659509468 411424272 /nfs/dbraw/zinc/42/42/72/411424272.db2.gz DCZAUZBYNJJOJV-HTQZYQBOSA-N 2 0 218.276 -0.584 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)NCC[NH2+]C1CC1 ZINC000659509590 411424312 /nfs/dbraw/zinc/42/43/12/411424312.db2.gz DOCKJQCQTKAUHN-UHFFFAOYSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)NCC[NH2+]C2CC2)CC[C@H]1F ZINC000659510272 411424901 /nfs/dbraw/zinc/42/49/01/411424901.db2.gz MFFZWUBUUWOVCO-NXEZZACHSA-N 2 0 244.314 -0.181 20 0 BBADRP [NH3+]CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659510403 411425127 /nfs/dbraw/zinc/42/51/27/411425127.db2.gz OSHCLABGYGWCCZ-UHFFFAOYSA-N 2 0 212.297 -0.614 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659510858 411465629 /nfs/dbraw/zinc/46/56/29/411465629.db2.gz CFASLXQZUOHRMG-HTQZYQBOSA-N 2 0 218.276 -0.714 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[NH2+]C1CC1 ZINC000659510970 411465641 /nfs/dbraw/zinc/46/56/41/411465641.db2.gz SKZXLQGKOIPLHT-MRVPVSSYSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC[NH2+]C1CC1 ZINC000659510978 411465673 /nfs/dbraw/zinc/46/56/73/411465673.db2.gz SKZXLQGKOIPLHT-QMMMGPOBSA-N 2 0 214.313 -0.355 20 0 BBADRP [NH3+]CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659511014 411465655 /nfs/dbraw/zinc/46/56/55/411465655.db2.gz TWJBHPDFOXLGNF-UHFFFAOYSA-N 2 0 212.297 -0.532 20 0 BBADRP O=C(NCC[NH2+]C1CC1)NCC12CC(C1)C[NH2+]2 ZINC000659511018 411424725 /nfs/dbraw/zinc/42/47/25/411424725.db2.gz UAUUVEXSWDPQAG-UHFFFAOYSA-N 2 0 238.335 -0.210 20 0 BBADRP C[NH2+]CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659511581 411465950 /nfs/dbraw/zinc/46/59/50/411465950.db2.gz GUGLJEWSTYKDON-SECBINFHSA-N 2 0 216.329 -0.122 20 0 BBADRP O=C(NCC[NH2+]C1CC1)N[C@H]1CC[NH2+]C1 ZINC000659511697 411424898 /nfs/dbraw/zinc/42/48/98/411424898.db2.gz ZREXSTCJJURLEM-VIFPVBQESA-N 2 0 212.297 -0.601 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000659511901 487757239 /nfs/dbraw/zinc/75/72/39/487757239.db2.gz SQRVJLZGDQTSAZ-SECBINFHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000659511902 487757273 /nfs/dbraw/zinc/75/72/73/487757273.db2.gz SQRVJLZGDQTSAZ-VIFPVBQESA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659512430 411425081 /nfs/dbraw/zinc/42/50/81/411425081.db2.gz OGZLPYWOIUSUJE-UHFFFAOYSA-N 2 0 212.297 -0.743 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)NCCC[NH3+] ZINC000659513691 411424874 /nfs/dbraw/zinc/42/48/74/411424874.db2.gz YEXHXFXLTUDEQA-UHFFFAOYSA-N 2 0 202.302 -0.286 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000659513814 411425301 /nfs/dbraw/zinc/42/53/01/411425301.db2.gz JWQUHEQQFSYENI-IVZWLZJFSA-N 2 0 244.314 -0.181 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000659513815 411466916 /nfs/dbraw/zinc/46/69/16/411466916.db2.gz JWQUHEQQFSYENI-OPRDCNLKSA-N 2 0 244.314 -0.181 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000659513898 411424827 /nfs/dbraw/zinc/42/48/27/411424827.db2.gz LYTBRRKAWGORSO-NXEZZACHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000659513899 411425010 /nfs/dbraw/zinc/42/50/10/411425010.db2.gz LYTBRRKAWGORSO-UWVGGRQHSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000659513900 411425020 /nfs/dbraw/zinc/42/50/20/411425020.db2.gz LYTBRRKAWGORSO-VHSXEESVSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000659513901 411425061 /nfs/dbraw/zinc/42/50/61/411425061.db2.gz LYTBRRKAWGORSO-ZJUUUORDSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH2+]CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659513997 487758808 /nfs/dbraw/zinc/75/88/08/487758808.db2.gz ADRLYGHERFFAQT-UHFFFAOYSA-N 2 0 212.297 -0.662 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000659514447 487759931 /nfs/dbraw/zinc/75/99/31/487759931.db2.gz RODIUOCOSBTRMA-BDAKNGLRSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000659514451 487759925 /nfs/dbraw/zinc/75/99/25/487759925.db2.gz RODIUOCOSBTRMA-DTWKUNHWSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000659514453 487759906 /nfs/dbraw/zinc/75/99/06/487759906.db2.gz RODIUOCOSBTRMA-IUCAKERBSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000659514455 487759967 /nfs/dbraw/zinc/75/99/67/487759967.db2.gz RODIUOCOSBTRMA-RKDXNWHRSA-N 2 0 214.313 -0.355 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000659514512 491113118 /nfs/dbraw/zinc/11/31/18/491113118.db2.gz AJRUEWKQNOYICX-QMMMGPOBSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[NH2+]CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659514598 491113169 /nfs/dbraw/zinc/11/31/69/491113169.db2.gz LAUBPIZALCSGAT-UHFFFAOYSA-N 2 0 226.324 -0.271 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659514602 411467594 /nfs/dbraw/zinc/46/75/94/411467594.db2.gz LELFNYIMQIKBEM-MRVPVSSYSA-N 2 0 202.302 -0.497 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659514603 411467567 /nfs/dbraw/zinc/46/75/67/411467567.db2.gz LELFNYIMQIKBEM-QMMMGPOBSA-N 2 0 202.302 -0.497 20 0 BBADRP CC[NH2+]CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659514744 411426530 /nfs/dbraw/zinc/42/65/30/411426530.db2.gz NYTCRUAOLXBEBD-RKDXNWHRSA-N 2 0 232.303 -0.323 20 0 BBADRP [NH3+]C1(CNC(=O)N[C@H]2CC[NH2+]C2)CCCC1 ZINC000659514992 490309175 /nfs/dbraw/zinc/30/91/75/490309175.db2.gz GYRNKMKYKMMGTN-VIFPVBQESA-N 2 0 226.324 -0.081 20 0 BBADRP C[NH2+]CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659515018 583432469 /nfs/dbraw/zinc/43/24/69/583432469.db2.gz PGEYPGBTNSHTDN-UHFFFAOYSA-N 2 0 214.313 -0.224 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000659515032 490309094 /nfs/dbraw/zinc/30/90/94/490309094.db2.gz XFWLIGHLNVGDDV-UWVGGRQHSA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000659515036 490309248 /nfs/dbraw/zinc/30/92/48/490309248.db2.gz XFWLIGHLNVGDDV-ZJUUUORDSA-N 2 0 226.324 -0.353 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000659515157 487761264 /nfs/dbraw/zinc/76/12/64/487761264.db2.gz HWQPUVALDDCLKH-SQLBVSGCSA-N 2 0 238.335 -0.210 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000659515163 487761045 /nfs/dbraw/zinc/76/10/45/487761045.db2.gz HWQPUVALDDCLKH-YZRBJQDESA-N 2 0 238.335 -0.210 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH2+]C)C1 ZINC000659515219 411426572 /nfs/dbraw/zinc/42/65/72/411426572.db2.gz RBHZLVMRBQMDEG-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH2+]C)C1 ZINC000659515220 411426289 /nfs/dbraw/zinc/42/62/89/411426289.db2.gz RBHZLVMRBQMDEG-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CC[NH2+]C1 ZINC000659515232 411425855 /nfs/dbraw/zinc/42/58/55/411425855.db2.gz IPZXLLYNCNKFPU-YUCVTWSNSA-N 2 0 224.308 -0.601 20 0 BBADRP CC[NH2+]CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659515251 411467983 /nfs/dbraw/zinc/46/79/83/411467983.db2.gz RHOVVLLJZSOYPL-UHFFFAOYSA-N 2 0 216.329 -0.025 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCC[NH2+]C1 ZINC000659515414 411468442 /nfs/dbraw/zinc/46/84/42/411468442.db2.gz BOCVPTGZMWDECS-SQLBVSGCSA-N 2 0 238.335 -0.210 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCC[NH2+]C1 ZINC000659515433 411468223 /nfs/dbraw/zinc/46/82/23/411468223.db2.gz BOCVPTGZMWDECS-YZRBJQDESA-N 2 0 238.335 -0.210 20 0 BBADRP C[NH2+]CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659515467 411425910 /nfs/dbraw/zinc/42/59/10/411425910.db2.gz ULJSIRRXTAJQHR-UHFFFAOYSA-N 2 0 202.302 -0.416 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659515659 487762564 /nfs/dbraw/zinc/76/25/64/487762564.db2.gz CYDPZBXIHRQMHZ-DTWKUNHWSA-N 2 0 214.313 -0.369 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659515662 487762313 /nfs/dbraw/zinc/76/23/13/487762313.db2.gz CYDPZBXIHRQMHZ-IUCAKERBSA-N 2 0 214.313 -0.369 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659515968 411426300 /nfs/dbraw/zinc/42/63/00/411426300.db2.gz MYZGTWSQLCERMJ-SFYZADRCSA-N 2 0 200.286 -0.745 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659515970 411426222 /nfs/dbraw/zinc/42/62/22/411426222.db2.gz MYZGTWSQLCERMJ-YUMQZZPRSA-N 2 0 200.286 -0.745 20 0 BBADRP CC[NH2+]CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659515988 487762506 /nfs/dbraw/zinc/76/25/06/487762506.db2.gz ZKRRGEHJEKIWDJ-UHFFFAOYSA-N 2 0 226.324 -0.353 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000659516300 411426165 /nfs/dbraw/zinc/42/61/65/411426165.db2.gz PLKVZQHLDNFGBT-DJLDLDEBSA-N 2 0 230.287 -0.571 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659516498 411470717 /nfs/dbraw/zinc/47/07/17/411470717.db2.gz IUPXTSRQZRRUPB-SQLBVSGCSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659516499 411470297 /nfs/dbraw/zinc/47/02/97/411470297.db2.gz IUPXTSRQZRRUPB-YZRBJQDESA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CC[NH2+]C1 ZINC000659516577 411470684 /nfs/dbraw/zinc/47/06/84/411470684.db2.gz RIWQFTRLZLQPHJ-YUCVTWSNSA-N 2 0 224.308 -0.519 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000659516751 411426304 /nfs/dbraw/zinc/42/63/04/411426304.db2.gz JYYBSFGROPIUJO-IVZWLZJFSA-N 2 0 244.314 -0.181 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000659516752 411426095 /nfs/dbraw/zinc/42/60/95/411426095.db2.gz JYYBSFGROPIUJO-OPRDCNLKSA-N 2 0 244.314 -0.181 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CCC[NH2+]1 ZINC000659517029 491113699 /nfs/dbraw/zinc/11/36/99/491113699.db2.gz XBXPHKXRESEOLE-SQLBVSGCSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000659517033 491113684 /nfs/dbraw/zinc/11/36/84/491113684.db2.gz XBXPHKXRESEOLE-YZRBJQDESA-N 2 0 238.335 -0.129 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]([NH3+])C(C)C ZINC000659517165 487766609 /nfs/dbraw/zinc/76/66/09/487766609.db2.gz OMLAGLKXMGZMNU-BDAKNGLRSA-N 2 0 216.329 -0.123 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000659517168 583434653 /nfs/dbraw/zinc/43/46/53/583434653.db2.gz OMLAGLKXMGZMNU-DTWKUNHWSA-N 2 0 216.329 -0.123 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]([NH3+])C(C)C ZINC000659517169 583435102 /nfs/dbraw/zinc/43/51/02/583435102.db2.gz OMLAGLKXMGZMNU-IUCAKERBSA-N 2 0 216.329 -0.123 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000659517171 583434670 /nfs/dbraw/zinc/43/46/70/583434670.db2.gz OMLAGLKXMGZMNU-RKDXNWHRSA-N 2 0 216.329 -0.123 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000659517730 411427302 /nfs/dbraw/zinc/42/73/02/411427302.db2.gz QWBNQWRPFHUEAN-BDAKNGLRSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659517731 411427317 /nfs/dbraw/zinc/42/73/17/411427317.db2.gz QWBNQWRPFHUEAN-DTWKUNHWSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000659517732 411427438 /nfs/dbraw/zinc/42/74/38/411427438.db2.gz QWBNQWRPFHUEAN-IUCAKERBSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659517733 411427093 /nfs/dbraw/zinc/42/70/93/411427093.db2.gz QWBNQWRPFHUEAN-RKDXNWHRSA-N 2 0 214.313 -0.355 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000659518698 411427068 /nfs/dbraw/zinc/42/70/68/411427068.db2.gz JHYZJXQVJYIOQT-APPZFPTMSA-N 2 0 214.313 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000659518699 411427339 /nfs/dbraw/zinc/42/73/39/411427339.db2.gz JHYZJXQVJYIOQT-CBAPKCEASA-N 2 0 214.313 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000659518700 411427215 /nfs/dbraw/zinc/42/72/15/411427215.db2.gz JHYZJXQVJYIOQT-IONNQARKSA-N 2 0 214.313 -0.369 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000659518701 411426906 /nfs/dbraw/zinc/42/69/06/411426906.db2.gz JHYZJXQVJYIOQT-VXNVDRBHSA-N 2 0 214.313 -0.369 20 0 BBADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000659518922 487775010 /nfs/dbraw/zinc/77/50/10/487775010.db2.gz KUJVSGHDVMAIEB-BBBLOLIVSA-N 2 0 244.314 -0.196 20 0 BBADRP [NH3+]C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000659518923 487774953 /nfs/dbraw/zinc/77/49/53/487774953.db2.gz KUJVSGHDVMAIEB-OPRDCNLKSA-N 2 0 244.314 -0.196 20 0 BBADRP CC(C)([NH3+])CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659519043 411427121 /nfs/dbraw/zinc/42/71/21/411427121.db2.gz CSNNYPBNBPCCCR-HTQZYQBOSA-N 2 0 232.303 -0.196 20 0 BBADRP [NH3+]C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659519617 411427411 /nfs/dbraw/zinc/42/74/11/411427411.db2.gz SXKDEQCYRXFWFI-BSTRBVHOSA-N 2 0 238.335 -0.225 20 0 BBADRP [NH3+]C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659519618 411427053 /nfs/dbraw/zinc/42/70/53/411427053.db2.gz SXKDEQCYRXFWFI-KRBLXSNTSA-N 2 0 238.335 -0.225 20 0 BBADRP CC(C)([NH3+])CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659520001 411427188 /nfs/dbraw/zinc/42/71/88/411427188.db2.gz FPMRUEQMKNSXMQ-UHFFFAOYSA-N 2 0 226.324 -0.225 20 0 BBADRP CC(C)([NH3+])CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659520024 411474937 /nfs/dbraw/zinc/47/49/37/411474937.db2.gz GDXVONZGJDJYBF-UHFFFAOYSA-N 2 0 226.324 -0.144 20 0 BBADRP [NH3+]C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659520255 411427278 /nfs/dbraw/zinc/42/72/78/411427278.db2.gz YLXYXEKGMHXYMY-BSTRBVHOSA-N 2 0 238.335 -0.144 20 0 BBADRP [NH3+]C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659520256 411427475 /nfs/dbraw/zinc/42/74/75/411427475.db2.gz YLXYXEKGMHXYMY-KRBLXSNTSA-N 2 0 238.335 -0.144 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC(C)(C)[NH3+] ZINC000659522017 490314571 /nfs/dbraw/zinc/31/45/71/490314571.db2.gz ZGJXCFNVQABBIZ-SSDOTTSWSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC(C)(C)[NH3+] ZINC000659522018 490315010 /nfs/dbraw/zinc/31/50/10/490315010.db2.gz ZGJXCFNVQABBIZ-ZETCQYMHSA-N 2 0 202.302 -0.369 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659524970 411482537 /nfs/dbraw/zinc/48/25/37/411482537.db2.gz BIBUXCBRKCXOMQ-MRVPVSSYSA-N 2 0 216.329 -0.040 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659524971 411482631 /nfs/dbraw/zinc/48/26/31/411482631.db2.gz BIBUXCBRKCXOMQ-QMMMGPOBSA-N 2 0 216.329 -0.040 20 0 BBADRP CCC[NH2+]CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659525001 411428038 /nfs/dbraw/zinc/42/80/38/411428038.db2.gz BZFOHTTYHIBWCW-SECBINFHSA-N 2 0 216.329 -0.107 20 0 BBADRP CCC[NH2+]CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659525002 411428297 /nfs/dbraw/zinc/42/82/97/411428297.db2.gz BZFOHTTYHIBWCW-VIFPVBQESA-N 2 0 216.329 -0.107 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)C[NH3+] ZINC000659526239 411428940 /nfs/dbraw/zinc/42/89/40/411428940.db2.gz NBFDAUPYUZWCMV-HTQZYQBOSA-N 2 0 202.302 -0.512 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](C)C[NH3+] ZINC000659526240 411429485 /nfs/dbraw/zinc/42/94/85/411429485.db2.gz NBFDAUPYUZWCMV-JGVFFNPUSA-N 2 0 202.302 -0.512 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)C[NH3+] ZINC000659526242 411429506 /nfs/dbraw/zinc/42/95/06/411429506.db2.gz NBFDAUPYUZWCMV-SFYZADRCSA-N 2 0 202.302 -0.512 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H](C)C[NH3+] ZINC000659526243 411429516 /nfs/dbraw/zinc/42/95/16/411429516.db2.gz NBFDAUPYUZWCMV-YUMQZZPRSA-N 2 0 202.302 -0.512 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[NH2+]CCOC ZINC000659526409 411484981 /nfs/dbraw/zinc/48/49/81/411484981.db2.gz CEICNGLXYSJIBO-SECBINFHSA-N 2 0 232.328 -0.871 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC[NH2+]CCOC ZINC000659526410 411485090 /nfs/dbraw/zinc/48/50/90/411485090.db2.gz CEICNGLXYSJIBO-VIFPVBQESA-N 2 0 232.328 -0.871 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659526581 411428897 /nfs/dbraw/zinc/42/88/97/411428897.db2.gz PUIJWWSXAQCGOJ-DJLDLDEBSA-N 2 0 232.303 -0.338 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659526585 411428835 /nfs/dbraw/zinc/42/88/35/411428835.db2.gz PUIJWWSXAQCGOJ-IWSPIJDZSA-N 2 0 232.303 -0.338 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659526599 411428935 /nfs/dbraw/zinc/42/89/35/411428935.db2.gz PWQHMHUUCUSJCR-FKTRJACZSA-N 2 0 226.324 -0.286 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659526601 411428932 /nfs/dbraw/zinc/42/89/32/411428932.db2.gz PWQHMHUUCUSJCR-SILCLGDVSA-N 2 0 226.324 -0.286 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659526636 411428889 /nfs/dbraw/zinc/42/88/89/411428889.db2.gz DIOPBMHCEPHDFR-DJLDLDEBSA-N 2 0 232.303 -0.196 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659526637 411428826 /nfs/dbraw/zinc/42/88/26/411428826.db2.gz DIOPBMHCEPHDFR-IWSPIJDZSA-N 2 0 232.303 -0.196 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC1C[NH2+]C1 ZINC000659527015 411429150 /nfs/dbraw/zinc/42/91/50/411429150.db2.gz HISFJGCOMILUSN-SNVBAGLBSA-N 2 0 228.340 -0.122 20 0 BBADRP C[C@@H]1CCN(C(=O)NCC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000659527092 411485050 /nfs/dbraw/zinc/48/50/50/411485050.db2.gz IEKWEYVBZNAMMM-KOLCDFICSA-N 2 0 240.351 -0.025 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]([NH3+])C1CC1 ZINC000659527154 411428784 /nfs/dbraw/zinc/42/87/84/411428784.db2.gz IWQDRXLSOUTTFF-BSTRBVHOSA-N 2 0 238.335 -0.144 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000659527155 411428885 /nfs/dbraw/zinc/42/88/85/411428885.db2.gz IWQDRXLSOUTTFF-KRBLXSNTSA-N 2 0 238.335 -0.144 20 0 BBADRP [NH3+][C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659527328 411429374 /nfs/dbraw/zinc/42/93/74/411429374.db2.gz JMYOKAIJMYCFSD-BSTRBVHOSA-N 2 0 238.335 -0.225 20 0 BBADRP [NH3+][C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659527329 411429106 /nfs/dbraw/zinc/42/91/06/411429106.db2.gz JMYOKAIJMYCFSD-KRBLXSNTSA-N 2 0 238.335 -0.225 20 0 BBADRP COCC[NH2+]CCNC(=O)N(C)CCC[NH3+] ZINC000659527491 411429309 /nfs/dbraw/zinc/42/93/09/411429309.db2.gz MUSBVEJYAWWILD-UHFFFAOYSA-N 2 0 232.328 -0.787 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659527492 411429369 /nfs/dbraw/zinc/42/93/69/411429369.db2.gz MVZJRXKUCRWCER-FKTRJACZSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659527493 411429501 /nfs/dbraw/zinc/42/95/01/411429501.db2.gz MVZJRXKUCRWCER-SILCLGDVSA-N 2 0 226.324 -0.225 20 0 BBADRP CN(CCC[NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000659527894 411429189 /nfs/dbraw/zinc/42/91/89/411429189.db2.gz PKGFWXRBEVNTMZ-SECBINFHSA-N 2 0 214.313 -0.286 20 0 BBADRP CN(CCC[NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000659527895 411429428 /nfs/dbraw/zinc/42/94/28/411429428.db2.gz PKGFWXRBEVNTMZ-VIFPVBQESA-N 2 0 214.313 -0.286 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659527943 411485677 /nfs/dbraw/zinc/48/56/77/411485677.db2.gz YLWAOJMCAWRQQD-FKTRJACZSA-N 2 0 226.324 -0.368 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659527944 411485417 /nfs/dbraw/zinc/48/54/17/411485417.db2.gz YLWAOJMCAWRQQD-SILCLGDVSA-N 2 0 226.324 -0.368 20 0 BBADRP [NH3+]C1(CNC(=O)NCC2C[NH2+]C2)CCCC1 ZINC000659528106 411429233 /nfs/dbraw/zinc/42/92/33/411429233.db2.gz QHQCABOJRFWXMF-UHFFFAOYSA-N 2 0 226.324 -0.224 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000659528117 411429514 /nfs/dbraw/zinc/42/95/14/411429514.db2.gz QPAJUVWBQNGHIP-APPZFPTMSA-N 2 0 214.313 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000659528118 411429466 /nfs/dbraw/zinc/42/94/66/411429466.db2.gz QPAJUVWBQNGHIP-CBAPKCEASA-N 2 0 214.313 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000659528119 411429216 /nfs/dbraw/zinc/42/92/16/411429216.db2.gz QPAJUVWBQNGHIP-IONNQARKSA-N 2 0 214.313 -0.369 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000659528120 411429257 /nfs/dbraw/zinc/42/92/57/411429257.db2.gz QPAJUVWBQNGHIP-VXNVDRBHSA-N 2 0 214.313 -0.369 20 0 BBADRP [NH3+][C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000659528526 411428960 /nfs/dbraw/zinc/42/89/60/411428960.db2.gz UDAIVVIBZPJMHQ-KXUCPTDWSA-N 2 0 244.314 -0.196 20 0 BBADRP [NH3+][C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000659528527 411429088 /nfs/dbraw/zinc/42/90/88/411429088.db2.gz UDAIVVIBZPJMHQ-OPRDCNLKSA-N 2 0 244.314 -0.196 20 0 BBADRP COCC[NH2+]CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659528638 411428996 /nfs/dbraw/zinc/42/89/96/411428996.db2.gz SSTIKQJIOVSOEX-UHFFFAOYSA-N 2 0 246.355 -0.399 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000659528733 411429120 /nfs/dbraw/zinc/42/91/20/411429120.db2.gz WXUOXBKKNGOLAH-LLVKDONJSA-N 2 0 240.351 -0.011 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000659528734 411429356 /nfs/dbraw/zinc/42/93/56/411429356.db2.gz WXUOXBKKNGOLAH-NSHDSACASA-N 2 0 240.351 -0.011 20 0 BBADRP [NH3+]C1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000659528975 411486142 /nfs/dbraw/zinc/48/61/42/411486142.db2.gz HEYAKWONQKYRAB-UHFFFAOYSA-N 2 0 238.335 -0.081 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659529302 411486544 /nfs/dbraw/zinc/48/65/44/411486544.db2.gz JFQCSTSYOVVMRV-FKTRJACZSA-N 2 0 226.324 -0.144 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659529307 411486577 /nfs/dbraw/zinc/48/65/77/411486577.db2.gz JFQCSTSYOVVMRV-SILCLGDVSA-N 2 0 226.324 -0.144 20 0 BBADRP [NH3+][C@H](CNC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000659529499 411429755 /nfs/dbraw/zinc/42/97/55/411429755.db2.gz YOSOVLCAPTWOLK-DTWKUNHWSA-N 2 0 212.297 -0.615 20 0 BBADRP [NH3+][C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000659529500 411429707 /nfs/dbraw/zinc/42/97/07/411429707.db2.gz YOSOVLCAPTWOLK-IUCAKERBSA-N 2 0 212.297 -0.615 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)CC[NH3+] ZINC000659529862 411488191 /nfs/dbraw/zinc/48/81/91/411488191.db2.gz ZVNXRVRXHXERNS-HTQZYQBOSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CC[NH3+] ZINC000659529863 411488096 /nfs/dbraw/zinc/48/80/96/411488096.db2.gz ZVNXRVRXHXERNS-JGVFFNPUSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)CC[NH3+] ZINC000659529867 411488048 /nfs/dbraw/zinc/48/80/48/411488048.db2.gz ZVNXRVRXHXERNS-SFYZADRCSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CC[NH3+] ZINC000659529868 411488144 /nfs/dbraw/zinc/48/81/44/411488144.db2.gz ZVNXRVRXHXERNS-YUMQZZPRSA-N 2 0 202.302 -0.369 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659530233 411489499 /nfs/dbraw/zinc/48/94/99/411489499.db2.gz GXOHHYRTKOYORE-BWZBUEFSSA-N 2 0 218.276 -0.586 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659530250 411489470 /nfs/dbraw/zinc/48/94/70/411489470.db2.gz HFCUUDJAKAFHIR-SSDOTTSWSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659530269 411489443 /nfs/dbraw/zinc/48/94/43/411489443.db2.gz HOMMAXDGXTXTTQ-ZNFPMYQNSA-N 2 0 212.297 -0.615 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC1([NH3+])CCC1 ZINC000659531140 411491552 /nfs/dbraw/zinc/49/15/52/411491552.db2.gz WTKSJDCZLDLTMQ-MRVPVSSYSA-N 2 0 214.313 -0.225 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC1([NH3+])CCC1 ZINC000659531141 411491337 /nfs/dbraw/zinc/49/13/37/411491337.db2.gz WTKSJDCZLDLTMQ-QMMMGPOBSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659531610 487813501 /nfs/dbraw/zinc/81/35/01/487813501.db2.gz ZBERRTXLXXVADV-ZNFPMYQNSA-N 2 0 212.297 -0.534 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NCC1([NH3+])CCCC1 ZINC000659531626 487813359 /nfs/dbraw/zinc/81/33/59/487813359.db2.gz ZFLCXDLMUZAWKJ-MRVPVSSYSA-N 2 0 214.313 -0.096 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC1=CC[NH2+]CC1 ZINC000659532869 411429807 /nfs/dbraw/zinc/42/98/07/411429807.db2.gz ULSISXJNJGIZIB-SECBINFHSA-N 2 0 226.324 -0.187 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC1=CC[NH2+]CC1 ZINC000659532870 411429870 /nfs/dbraw/zinc/42/98/70/411429870.db2.gz ULSISXJNJGIZIB-VIFPVBQESA-N 2 0 226.324 -0.187 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659535599 411430846 /nfs/dbraw/zinc/43/08/46/411430846.db2.gz AUBAZFRVWPGIFG-BWZBUEFSSA-N 2 0 218.276 -0.586 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659535600 411431187 /nfs/dbraw/zinc/43/11/87/411431187.db2.gz AUBAZFRVWPGIFG-XLPZGREQSA-N 2 0 218.276 -0.586 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659535612 411430851 /nfs/dbraw/zinc/43/08/51/411430851.db2.gz BGGKTDOMORHZPO-BDAKNGLRSA-N 2 0 216.329 -0.109 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)C[NH2+]C ZINC000659535613 411431295 /nfs/dbraw/zinc/43/12/95/411431295.db2.gz BGGKTDOMORHZPO-RKDXNWHRSA-N 2 0 216.329 -0.109 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCCC1 ZINC000659536016 411502016 /nfs/dbraw/zinc/50/20/16/411502016.db2.gz DNZYDZYHRCVUSW-MRVPVSSYSA-N 2 0 214.313 -0.096 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCCC1 ZINC000659536017 411502130 /nfs/dbraw/zinc/50/21/30/411502130.db2.gz DNZYDZYHRCVUSW-QMMMGPOBSA-N 2 0 214.313 -0.096 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659536432 411430872 /nfs/dbraw/zinc/43/08/72/411430872.db2.gz HYIRMTRXWPRYHM-GUBZILKMSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659536433 411431100 /nfs/dbraw/zinc/43/11/00/411431100.db2.gz HYIRMTRXWPRYHM-KXUCPTDWSA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659536434 411430789 /nfs/dbraw/zinc/43/07/89/411430789.db2.gz HYIRMTRXWPRYHM-LPEHRKFASA-N 2 0 226.324 -0.355 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659536435 411431270 /nfs/dbraw/zinc/43/12/70/411431270.db2.gz HYIRMTRXWPRYHM-UTLUCORTSA-N 2 0 226.324 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000659536473 411430900 /nfs/dbraw/zinc/43/09/00/411430900.db2.gz IBBNMVSVOPYVRK-GUBZILKMSA-N 2 0 228.340 -0.109 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000659536474 411431070 /nfs/dbraw/zinc/43/10/70/411431070.db2.gz IBBNMVSVOPYVRK-KXUCPTDWSA-N 2 0 228.340 -0.109 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000659536475 411431261 /nfs/dbraw/zinc/43/12/61/411431261.db2.gz IBBNMVSVOPYVRK-LPEHRKFASA-N 2 0 228.340 -0.109 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000659536476 411431287 /nfs/dbraw/zinc/43/12/87/411431287.db2.gz IBBNMVSVOPYVRK-UTLUCORTSA-N 2 0 228.340 -0.109 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000659536814 411431334 /nfs/dbraw/zinc/43/13/34/411431334.db2.gz OOVBNZGHGJZHMS-GUBZILKMSA-N 2 0 228.340 -0.109 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000659536816 411431299 /nfs/dbraw/zinc/43/12/99/411431299.db2.gz OOVBNZGHGJZHMS-KXUCPTDWSA-N 2 0 228.340 -0.109 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000659536817 411431277 /nfs/dbraw/zinc/43/12/77/411431277.db2.gz OOVBNZGHGJZHMS-LPEHRKFASA-N 2 0 228.340 -0.109 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000659536818 411430913 /nfs/dbraw/zinc/43/09/13/411430913.db2.gz OOVBNZGHGJZHMS-UTLUCORTSA-N 2 0 228.340 -0.109 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]CC1 ZINC000659537235 411430864 /nfs/dbraw/zinc/43/08/64/411430864.db2.gz QYBUAXDOVHWFOK-UWVGGRQHSA-N 2 0 226.324 -0.210 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]CC1 ZINC000659537236 411431221 /nfs/dbraw/zinc/43/12/21/411431221.db2.gz QYBUAXDOVHWFOK-ZJUUUORDSA-N 2 0 226.324 -0.210 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659538398 411504115 /nfs/dbraw/zinc/50/41/15/411504115.db2.gz ORECFUPMUNVGDY-SSDOTTSWSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659538400 411504130 /nfs/dbraw/zinc/50/41/30/411504130.db2.gz ORECFUPMUNVGDY-ZETCQYMHSA-N 2 0 202.302 -0.288 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659539110 411431683 /nfs/dbraw/zinc/43/16/83/411431683.db2.gz PSRJBQJOFGUBEP-AEJSXWLSSA-N 2 0 226.324 -0.083 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659539111 411432259 /nfs/dbraw/zinc/43/22/59/411432259.db2.gz PSRJBQJOFGUBEP-BBBLOLIVSA-N 2 0 226.324 -0.083 20 0 BBADRP [NH3+][C@H]1CCC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659539112 411431744 /nfs/dbraw/zinc/43/17/44/411431744.db2.gz PSRJBQJOFGUBEP-GUBZILKMSA-N 2 0 226.324 -0.083 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659539113 411432161 /nfs/dbraw/zinc/43/21/61/411432161.db2.gz PSRJBQJOFGUBEP-UTLUCORTSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659539617 411432341 /nfs/dbraw/zinc/43/23/41/411432341.db2.gz SJRYXRDZXXTEQW-JEUQWKINSA-N 2 0 212.297 -0.534 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659539618 411431964 /nfs/dbraw/zinc/43/19/64/411431964.db2.gz SJRYXRDZXXTEQW-ZNFPMYQNSA-N 2 0 212.297 -0.534 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659539658 411432398 /nfs/dbraw/zinc/43/23/98/411432398.db2.gz TWNCFGVDJCIORS-JEUQWKINSA-N 2 0 212.297 -0.615 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659539660 411432446 /nfs/dbraw/zinc/43/24/46/411432446.db2.gz TWNCFGVDJCIORS-ZNFPMYQNSA-N 2 0 212.297 -0.615 20 0 BBADRP [NH3+]C/C=C/CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659542612 411433248 /nfs/dbraw/zinc/43/32/48/411433248.db2.gz BKWCZUNVQDUTFW-NPIHWTNLSA-N 2 0 230.287 -0.418 20 0 BBADRP [NH3+]C/C=C\CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659542613 411432636 /nfs/dbraw/zinc/43/26/36/411432636.db2.gz BKWCZUNVQDUTFW-WDESOFOKSA-N 2 0 230.287 -0.418 20 0 BBADRP [NH3+]C/C=C/CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659542683 411510851 /nfs/dbraw/zinc/51/08/51/411510851.db2.gz CPLZXDGPDFOKKM-OWOJBTEDSA-N 2 0 224.308 -0.448 20 0 BBADRP [NH3+]C/C=C\CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659542684 411511056 /nfs/dbraw/zinc/51/10/56/411511056.db2.gz CPLZXDGPDFOKKM-UPHRSURJSA-N 2 0 224.308 -0.448 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC/C=C/C[NH3+] ZINC000659544153 411433267 /nfs/dbraw/zinc/43/32/67/411433267.db2.gz PZQZPHUSYGYRGE-MPJRPATESA-N 2 0 200.286 -0.592 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC/C=C/C[NH3+] ZINC000659544154 411433001 /nfs/dbraw/zinc/43/30/01/411433001.db2.gz PZQZPHUSYGYRGE-RTMURIBGSA-N 2 0 200.286 -0.592 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC/C=C\C[NH3+] ZINC000659544155 411433069 /nfs/dbraw/zinc/43/30/69/411433069.db2.gz PZQZPHUSYGYRGE-TUUFMJSCSA-N 2 0 200.286 -0.592 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC/C=C\C[NH3+] ZINC000659544156 411432761 /nfs/dbraw/zinc/43/27/61/411432761.db2.gz PZQZPHUSYGYRGE-VEMNSZJBSA-N 2 0 200.286 -0.592 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)NC/C=C\C[NH3+] ZINC000659545041 411433328 /nfs/dbraw/zinc/43/33/28/411433328.db2.gz ZNMHXCZZMAFTOY-PLNGDYQASA-N 2 0 214.313 -0.120 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)NC/C=C/C[NH3+] ZINC000659545042 411433259 /nfs/dbraw/zinc/43/32/59/411433259.db2.gz ZNMHXCZZMAFTOY-SNAWJCMRSA-N 2 0 214.313 -0.120 20 0 BBADRP C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1nccn1C ZINC000659546356 411433796 /nfs/dbraw/zinc/43/37/96/411433796.db2.gz CDTQXGUQWLBDPL-AXTSPUMRSA-N 2 0 249.318 -0.002 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[C@H]1F ZINC000659546847 411515882 /nfs/dbraw/zinc/51/58/82/411515882.db2.gz HWFSWBHZEVYDTR-ZOZBQHSOSA-N 2 0 242.298 -0.715 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659546897 411515982 /nfs/dbraw/zinc/51/59/82/411515982.db2.gz IKNUYCKAYAPIKK-YTWAJWBKSA-N 2 0 240.351 -0.123 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659546910 411433713 /nfs/dbraw/zinc/43/37/13/411433713.db2.gz IOHLAOKBIDSVMO-HXFLIBJXSA-N 2 0 212.297 -0.889 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659546911 411433683 /nfs/dbraw/zinc/43/36/83/411433683.db2.gz IOHLAOKBIDSVMO-RBXMUDONSA-N 2 0 212.297 -0.889 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659547274 487885274 /nfs/dbraw/zinc/88/52/74/487885274.db2.gz LDWSYNKCUGPQBR-HGLGOUDKSA-N 2 0 236.319 -0.663 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659547381 411433763 /nfs/dbraw/zinc/43/37/63/411433763.db2.gz CMAMZFREDOAISB-DJLDLDEBSA-N 2 0 232.303 -0.196 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659547385 411433577 /nfs/dbraw/zinc/43/35/77/411433577.db2.gz CMAMZFREDOAISB-IWSPIJDZSA-N 2 0 232.303 -0.196 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659548119 411151807 /nfs/dbraw/zinc/15/18/07/411151807.db2.gz NHXLBXAAINJJPB-HGLGOUDKSA-N 2 0 236.319 -0.745 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659548262 411433884 /nfs/dbraw/zinc/43/38/84/411433884.db2.gz GGOLBUMWGYQZGA-NXEZZACHSA-N 2 0 244.339 -0.728 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659548263 411433886 /nfs/dbraw/zinc/43/38/86/411433886.db2.gz GGOLBUMWGYQZGA-UWVGGRQHSA-N 2 0 244.339 -0.728 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659548264 411434027 /nfs/dbraw/zinc/43/40/27/411434027.db2.gz GGOLBUMWGYQZGA-VHSXEESVSA-N 2 0 244.339 -0.728 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659548265 411433664 /nfs/dbraw/zinc/43/36/64/411433664.db2.gz GGOLBUMWGYQZGA-ZJUUUORDSA-N 2 0 244.339 -0.728 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000659548468 411434075 /nfs/dbraw/zinc/43/40/75/411434075.db2.gz INKQEYFMESRSNQ-BIIVOSGPSA-N 2 0 202.302 -0.371 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000659548469 411433563 /nfs/dbraw/zinc/43/35/63/411433563.db2.gz INKQEYFMESRSNQ-FXQIFTODSA-N 2 0 202.302 -0.371 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000659548471 411431125 /nfs/dbraw/zinc/43/11/25/411431125.db2.gz INKQEYFMESRSNQ-RNJXMRFFSA-N 2 0 202.302 -0.371 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000659548472 411431358 /nfs/dbraw/zinc/43/13/58/411431358.db2.gz INKQEYFMESRSNQ-XLPZGREQSA-N 2 0 202.302 -0.371 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659548540 411433654 /nfs/dbraw/zinc/43/36/54/411433654.db2.gz IVWGLGHJNZEBBL-CSMHCCOUSA-N 2 0 200.286 -0.617 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659548544 411434033 /nfs/dbraw/zinc/43/40/33/411434033.db2.gz IVWGLGHJNZEBBL-FXQIFTODSA-N 2 0 200.286 -0.617 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659548545 411433622 /nfs/dbraw/zinc/43/36/22/411433622.db2.gz IVWGLGHJNZEBBL-PRJMDXOYSA-N 2 0 200.286 -0.617 20 0 BBADRP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000659548549 411433948 /nfs/dbraw/zinc/43/39/48/411433948.db2.gz IVWGLGHJNZEBBL-RNJXMRFFSA-N 2 0 200.286 -0.617 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659548917 411152666 /nfs/dbraw/zinc/15/26/66/411152666.db2.gz QKWLWYZFTBIOTN-BRPSZJMVSA-N 2 0 226.324 -0.417 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659549102 411434774 /nfs/dbraw/zinc/43/47/74/411434774.db2.gz LYJHXMYLGIQMJV-BFWVQVCMSA-N 2 0 226.324 -0.227 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659549106 411434867 /nfs/dbraw/zinc/43/48/67/411434867.db2.gz LYJHXMYLGIQMJV-KZNVNZARSA-N 2 0 226.324 -0.227 20 0 BBADRP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H](C)[NH3+] ZINC000659549108 411434756 /nfs/dbraw/zinc/43/47/56/411434756.db2.gz LYJHXMYLGIQMJV-OQVRZCNBSA-N 2 0 226.324 -0.227 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659549110 411434563 /nfs/dbraw/zinc/43/45/63/411434563.db2.gz LYJHXMYLGIQMJV-PCWJGIJCSA-N 2 0 226.324 -0.227 20 0 BBADRP [NH3+]C1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC000659549228 411434822 /nfs/dbraw/zinc/43/48/22/411434822.db2.gz RTLNYKCWMSLFMX-MYJAWHEDSA-N 2 0 238.335 -0.225 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659549545 411152287 /nfs/dbraw/zinc/15/22/87/411152287.db2.gz NNOIILZETWAHIQ-BZNPZCIMSA-N 2 0 232.303 -0.197 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659549552 411152295 /nfs/dbraw/zinc/15/22/95/411152295.db2.gz NNOIILZETWAHIQ-FNCVBFRFSA-N 2 0 232.303 -0.197 20 0 BBADRP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000659549558 411152464 /nfs/dbraw/zinc/15/24/64/411152464.db2.gz NNOIILZETWAHIQ-JQCXWYLXSA-N 2 0 232.303 -0.197 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659549563 411152909 /nfs/dbraw/zinc/15/29/09/411152909.db2.gz NNOIILZETWAHIQ-RBXMUDONSA-N 2 0 232.303 -0.197 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659549676 411152473 /nfs/dbraw/zinc/15/24/73/411152473.db2.gz OSLRQIUUZLMDQS-INWMGODYSA-N 2 0 226.324 -0.225 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659549678 411152736 /nfs/dbraw/zinc/15/27/36/411152736.db2.gz OSLRQIUUZLMDQS-YUCVTWSNSA-N 2 0 226.324 -0.225 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N[C@H](C)C[NH2+]C ZINC000659549836 411433569 /nfs/dbraw/zinc/43/35/69/411433569.db2.gz OXHDRTAVDLZBOS-HTQZYQBOSA-N 2 0 202.302 -0.369 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659549837 411433768 /nfs/dbraw/zinc/43/37/68/411433768.db2.gz OXHDRTAVDLZBOS-JGVFFNPUSA-N 2 0 202.302 -0.369 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N[C@H](C)C[NH2+]C ZINC000659549838 411433952 /nfs/dbraw/zinc/43/39/52/411433952.db2.gz OXHDRTAVDLZBOS-SFYZADRCSA-N 2 0 202.302 -0.369 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659549840 411433724 /nfs/dbraw/zinc/43/37/24/411433724.db2.gz OXHDRTAVDLZBOS-YUMQZZPRSA-N 2 0 202.302 -0.369 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659550811 411155051 /nfs/dbraw/zinc/15/50/51/411155051.db2.gz SBPFKBUUBYNURD-BFWVQVCMSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659550816 411155461 /nfs/dbraw/zinc/15/54/61/411155461.db2.gz SBPFKBUUBYNURD-KZNVNZARSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@H](C)[NH3+] ZINC000659550820 411154982 /nfs/dbraw/zinc/15/49/82/411154982.db2.gz SBPFKBUUBYNURD-OQVRZCNBSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659550826 411155393 /nfs/dbraw/zinc/15/53/93/411155393.db2.gz SBPFKBUUBYNURD-PCWJGIJCSA-N 2 0 226.324 -0.145 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659551763 411158302 /nfs/dbraw/zinc/15/83/02/411158302.db2.gz VMEKWMVMBWTQCF-INWMGODYSA-N 2 0 226.324 -0.144 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659551764 411158521 /nfs/dbraw/zinc/15/85/21/411158521.db2.gz VMEKWMVMBWTQCF-YUCVTWSNSA-N 2 0 226.324 -0.144 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000659551767 411158347 /nfs/dbraw/zinc/15/83/47/411158347.db2.gz VPDZLAPTQPHUSI-BQBZGAKWSA-N 2 0 238.282 -0.124 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000659551768 411158453 /nfs/dbraw/zinc/15/84/53/411158453.db2.gz VPDZLAPTQPHUSI-NKWVEPMBSA-N 2 0 238.282 -0.124 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000659551769 411158421 /nfs/dbraw/zinc/15/84/21/411158421.db2.gz VPDZLAPTQPHUSI-RNFRBKRXSA-N 2 0 238.282 -0.124 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000659551770 411158723 /nfs/dbraw/zinc/15/87/23/411158723.db2.gz VPDZLAPTQPHUSI-RQJHMYQMSA-N 2 0 238.282 -0.124 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000659552091 411434880 /nfs/dbraw/zinc/43/48/80/411434880.db2.gz NWWSYNDGLYHNBH-JGVFFNPUSA-N 2 0 248.277 -0.355 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000659552094 411434588 /nfs/dbraw/zinc/43/45/88/411434588.db2.gz NWWSYNDGLYHNBH-YUMQZZPRSA-N 2 0 248.277 -0.355 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CC[NH2+]C1 ZINC000659552175 411434857 /nfs/dbraw/zinc/43/48/57/411434857.db2.gz ZORLQMZIZCQXDO-UWVGGRQHSA-N 2 0 242.323 -0.974 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CC[NH2+]C1 ZINC000659552177 411434859 /nfs/dbraw/zinc/43/48/59/411434859.db2.gz ZORLQMZIZCQXDO-VHSXEESVSA-N 2 0 242.323 -0.974 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659553652 411435416 /nfs/dbraw/zinc/43/54/16/411435416.db2.gz BUWDGMLRSKOFEL-SECBINFHSA-N 2 0 244.339 -0.647 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659553653 411435364 /nfs/dbraw/zinc/43/53/64/411435364.db2.gz BUWDGMLRSKOFEL-VIFPVBQESA-N 2 0 244.339 -0.647 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659564065 411177042 /nfs/dbraw/zinc/17/70/42/411177042.db2.gz FOJGVBDTJYNSTJ-VWYCJHECSA-N 2 0 238.335 -0.116 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000659564095 411176154 /nfs/dbraw/zinc/17/61/54/411176154.db2.gz GNILHDKNTVWRPQ-GUBZILKMSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000659564097 411176061 /nfs/dbraw/zinc/17/60/61/411176061.db2.gz GNILHDKNTVWRPQ-KXUCPTDWSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000659564102 411176203 /nfs/dbraw/zinc/17/62/03/411176203.db2.gz GNILHDKNTVWRPQ-LPEHRKFASA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000659564105 411176248 /nfs/dbraw/zinc/17/62/48/411176248.db2.gz GNILHDKNTVWRPQ-UTLUCORTSA-N 2 0 242.323 -0.894 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659564163 411437012 /nfs/dbraw/zinc/43/70/12/411437012.db2.gz NJKKZLMDSHTPKK-DCAQKATOSA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000659564164 411436514 /nfs/dbraw/zinc/43/65/14/411436514.db2.gz NJKKZLMDSHTPKK-GARJFASQSA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000659564166 411436593 /nfs/dbraw/zinc/43/65/93/411436593.db2.gz NJKKZLMDSHTPKK-OUAUKWLOSA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659564167 411436803 /nfs/dbraw/zinc/43/68/03/411436803.db2.gz NJKKZLMDSHTPKK-VWYCJHECSA-N 2 0 238.335 -0.258 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659564179 411436900 /nfs/dbraw/zinc/43/69/00/411436900.db2.gz ORHCBBCUPFKQRI-IUCAKERBSA-N 2 0 212.297 -0.519 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000659564183 411436519 /nfs/dbraw/zinc/43/65/19/411436519.db2.gz PDMXFGPBXKLQSY-AEJSXWLSSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000659564184 411437007 /nfs/dbraw/zinc/43/70/07/411437007.db2.gz PDMXFGPBXKLQSY-GUBZILKMSA-N 2 0 226.324 -0.260 20 0 BBADRP CC1([NH3+])CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659564188 411436821 /nfs/dbraw/zinc/43/68/21/411436821.db2.gz RMJAEGYDXTYZIE-VIFPVBQESA-N 2 0 226.324 -0.129 20 0 BBADRP CN(CC[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000659574350 411438808 /nfs/dbraw/zinc/43/88/08/411438808.db2.gz AKBBKSFQCMHDHF-UHFFFAOYSA-N 2 0 214.313 -0.142 20 0 BBADRP [NH3+]C1(CNC(=O)N2CC[NH2+]CC2)CCCC1 ZINC000659578371 411439614 /nfs/dbraw/zinc/43/96/14/411439614.db2.gz VAPCDGCCDPQWRS-UHFFFAOYSA-N 2 0 226.324 -0.127 20 0 BBADRP CN(C(=O)NCC12CC(C1)C[NH2+]2)C1CC([NH3+])C1 ZINC000659609498 411441342 /nfs/dbraw/zinc/44/13/42/411441342.db2.gz ATPKJSUHIWURLM-UHFFFAOYSA-N 2 0 238.335 -0.131 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609503 411441213 /nfs/dbraw/zinc/44/12/13/411441213.db2.gz AZLVMPHXPNNJDJ-SQLBVSGCSA-N 2 0 238.335 -0.129 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609884 411441655 /nfs/dbraw/zinc/44/16/55/411441655.db2.gz DFCAAGAQZWUMFF-SQLBVSGCSA-N 2 0 238.335 -0.258 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609886 411441519 /nfs/dbraw/zinc/44/15/19/411441519.db2.gz DFCAAGAQZWUMFF-YZRBJQDESA-N 2 0 238.335 -0.258 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659609961 411441722 /nfs/dbraw/zinc/44/17/22/411441722.db2.gz DZRVDLLIPWVMCW-FKTRJACZSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659609962 411441624 /nfs/dbraw/zinc/44/16/24/411441624.db2.gz DZRVDLLIPWVMCW-SILCLGDVSA-N 2 0 226.324 -0.273 20 0 BBADRP [NH3+]C1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659609992 411441786 /nfs/dbraw/zinc/44/17/86/411441786.db2.gz FTOZWOGVIWVFRU-UHFFFAOYSA-N 2 0 238.335 -0.129 20 0 BBADRP C[C@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000659610427 411441437 /nfs/dbraw/zinc/44/14/37/411441437.db2.gz INQMTAXNJGWODO-BMQDGWLCSA-N 2 0 238.335 -0.258 20 0 BBADRP C[C@@H]1CN(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000659610428 488192163 /nfs/dbraw/zinc/19/21/63/488192163.db2.gz INQMTAXNJGWODO-GRZMOONWSA-N 2 0 238.335 -0.258 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659610485 411441445 /nfs/dbraw/zinc/44/14/45/411441445.db2.gz JGUGUWJNTHYLMW-FKTRJACZSA-N 2 0 226.324 -0.355 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659610486 411441814 /nfs/dbraw/zinc/44/18/14/411441814.db2.gz JGUGUWJNTHYLMW-SILCLGDVSA-N 2 0 226.324 -0.355 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659610861 411441274 /nfs/dbraw/zinc/44/12/74/411441274.db2.gz KAXMFRPJRGDLJP-BMQDGWLCSA-N 2 0 238.335 -0.271 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659610862 411441496 /nfs/dbraw/zinc/44/14/96/411441496.db2.gz KAXMFRPJRGDLJP-GRZMOONWSA-N 2 0 238.335 -0.271 20 0 BBADRP CN(CC[NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659610909 583808388 /nfs/dbraw/zinc/80/83/88/583808388.db2.gz KVFMWEFZTYFIBX-UHFFFAOYSA-N 2 0 212.297 -0.662 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659611671 411235425 /nfs/dbraw/zinc/23/54/25/411235425.db2.gz PUIWFQZMOAPHKN-SILCLGDVSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659611691 411441687 /nfs/dbraw/zinc/44/16/87/411441687.db2.gz QAOWVNUXHFZXQS-SQLBVSGCSA-N 2 0 238.335 -0.129 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659612178 411441707 /nfs/dbraw/zinc/44/17/07/411441707.db2.gz UKCHZXSEYZUTBZ-ZSWLNHAKSA-N 2 0 238.335 -0.131 20 0 BBADRP CC(C)(C[NH3+])NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659612461 411441627 /nfs/dbraw/zinc/44/16/27/411441627.db2.gz VULOWOLVUBAOBD-UHFFFAOYSA-N 2 0 226.324 -0.225 20 0 BBADRP CN(CCC[NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659612547 411441559 /nfs/dbraw/zinc/44/15/59/411441559.db2.gz WWCGLPUCFULDSH-UHFFFAOYSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659612549 411441622 /nfs/dbraw/zinc/44/16/22/411441622.db2.gz WXTQRWYVTNPQJM-INWMGODYSA-N 2 0 224.308 -0.519 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659612551 411441710 /nfs/dbraw/zinc/44/17/10/411441710.db2.gz WXTQRWYVTNPQJM-YUCVTWSNSA-N 2 0 224.308 -0.519 20 0 BBADRP C[NH+](C)CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616931 411440541 /nfs/dbraw/zinc/44/05/41/411440541.db2.gz XWLYBZBGZXGYTR-UHFFFAOYSA-N 2 0 226.324 -0.401 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[NH3+] ZINC000659618368 411442289 /nfs/dbraw/zinc/44/22/89/411442289.db2.gz GYPYDLRJOJKMKK-SECBINFHSA-N 2 0 216.329 -0.040 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH2+]CC1 ZINC000659619656 491123666 /nfs/dbraw/zinc/12/36/66/491123666.db2.gz QGKLYUAAZSJQSV-SNVBAGLBSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659634009 411444521 /nfs/dbraw/zinc/44/45/21/411444521.db2.gz ACKHRQZXKOFESG-BBBLOLIVSA-N 2 0 226.324 -0.545 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659634010 411444458 /nfs/dbraw/zinc/44/44/58/411444458.db2.gz ACKHRQZXKOFESG-LPEHRKFASA-N 2 0 226.324 -0.545 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000659634049 411259697 /nfs/dbraw/zinc/25/96/97/411259697.db2.gz ASUHFVDTAXHGBQ-AXFHLTTASA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000659634051 411259977 /nfs/dbraw/zinc/25/99/77/411259977.db2.gz ASUHFVDTAXHGBQ-DCAQKATOSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000659634052 411260130 /nfs/dbraw/zinc/26/01/30/411260130.db2.gz ASUHFVDTAXHGBQ-GARJFASQSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000659634053 411259990 /nfs/dbraw/zinc/25/99/90/411259990.db2.gz ASUHFVDTAXHGBQ-HBNTYKKESA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000659634069 411259776 /nfs/dbraw/zinc/25/97/76/411259776.db2.gz AXIRAWOUUXTBBV-HTQZYQBOSA-N 2 0 200.286 -0.663 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000659634070 411260135 /nfs/dbraw/zinc/26/01/35/411260135.db2.gz AXIRAWOUUXTBBV-JGVFFNPUSA-N 2 0 200.286 -0.663 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000659634071 411260068 /nfs/dbraw/zinc/26/00/68/411260068.db2.gz AXIRAWOUUXTBBV-SFYZADRCSA-N 2 0 200.286 -0.663 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000659634073 411259418 /nfs/dbraw/zinc/25/94/18/411259418.db2.gz AXIRAWOUUXTBBV-YUMQZZPRSA-N 2 0 200.286 -0.663 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000659634083 411259762 /nfs/dbraw/zinc/25/97/62/411259762.db2.gz AZDXULSYCNRHCO-AEJSXWLSSA-N 2 0 228.340 -0.014 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000659634085 411260003 /nfs/dbraw/zinc/26/00/03/411260003.db2.gz AZDXULSYCNRHCO-GUBZILKMSA-N 2 0 228.340 -0.014 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000659634087 411260026 /nfs/dbraw/zinc/26/00/26/411260026.db2.gz AZDXULSYCNRHCO-IVZWLZJFSA-N 2 0 228.340 -0.014 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000659634089 411259780 /nfs/dbraw/zinc/25/97/80/411259780.db2.gz AZDXULSYCNRHCO-LPEHRKFASA-N 2 0 228.340 -0.014 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000659634188 411444629 /nfs/dbraw/zinc/44/46/29/411444629.db2.gz BRYVQHBVSILCPI-BDAKNGLRSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000659634191 411444766 /nfs/dbraw/zinc/44/47/66/411444766.db2.gz BRYVQHBVSILCPI-DTWKUNHWSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CCC[NH3+] ZINC000659634604 411444699 /nfs/dbraw/zinc/44/46/99/411444699.db2.gz CXFTYIICXJYUSN-MRVPVSSYSA-N 2 0 202.302 -0.416 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)CCC[NH3+] ZINC000659634605 411444202 /nfs/dbraw/zinc/44/42/02/411444202.db2.gz CXFTYIICXJYUSN-QMMMGPOBSA-N 2 0 202.302 -0.416 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[NH+](C)C ZINC000659635787 411265900 /nfs/dbraw/zinc/26/59/00/411265900.db2.gz IBVZEDYGZYHDPM-MRVPVSSYSA-N 2 0 202.302 -0.545 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC[NH+](C)C ZINC000659635788 411265959 /nfs/dbraw/zinc/26/59/59/411265959.db2.gz IBVZEDYGZYHDPM-QMMMGPOBSA-N 2 0 202.302 -0.545 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659637031 411272868 /nfs/dbraw/zinc/27/28/68/411272868.db2.gz SWFDWQTWNOUQLL-DJLDLDEBSA-N 2 0 232.303 -0.325 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659637033 411273276 /nfs/dbraw/zinc/27/32/76/411273276.db2.gz SWFDWQTWNOUQLL-IWSPIJDZSA-N 2 0 232.303 -0.325 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000659637204 411259972 /nfs/dbraw/zinc/25/99/72/411259972.db2.gz BRYVQHBVSILCPI-IUCAKERBSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000659637209 411259701 /nfs/dbraw/zinc/25/97/01/411259701.db2.gz BRYVQHBVSILCPI-RKDXNWHRSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659637727 411445239 /nfs/dbraw/zinc/44/52/39/411445239.db2.gz VSXRDXXUDMHCRL-FKTRJACZSA-N 2 0 226.324 -0.273 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659637728 411445221 /nfs/dbraw/zinc/44/52/21/411445221.db2.gz VSXRDXXUDMHCRL-SILCLGDVSA-N 2 0 226.324 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)C[NH2+]C ZINC000659638404 411445053 /nfs/dbraw/zinc/44/50/53/411445053.db2.gz ZDXMVGROUJJFQY-HTQZYQBOSA-N 2 0 202.302 -0.499 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659638405 411445118 /nfs/dbraw/zinc/44/51/18/411445118.db2.gz ZDXMVGROUJJFQY-OCAPTIKFSA-N 2 0 202.302 -0.499 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659638406 411445096 /nfs/dbraw/zinc/44/50/96/411445096.db2.gz ZDXMVGROUJJFQY-YUMQZZPRSA-N 2 0 202.302 -0.499 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659638415 411274030 /nfs/dbraw/zinc/27/40/30/411274030.db2.gz ZGLBMRPCIRALBF-MRVPVSSYSA-N 2 0 216.329 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659638416 411274125 /nfs/dbraw/zinc/27/41/25/411274125.db2.gz ZGLBMRPCIRALBF-QMMMGPOBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000659639418 411446250 /nfs/dbraw/zinc/44/62/50/411446250.db2.gz ZQAGVPVIQTXDLL-GXSJLCMTSA-N 2 0 246.355 -0.794 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000659639420 411445762 /nfs/dbraw/zinc/44/57/62/411445762.db2.gz ZQAGVPVIQTXDLL-KOLCDFICSA-N 2 0 246.355 -0.794 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000659639422 411446080 /nfs/dbraw/zinc/44/60/80/411446080.db2.gz ZQAGVPVIQTXDLL-MWLCHTKSSA-N 2 0 246.355 -0.794 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000659639423 411446048 /nfs/dbraw/zinc/44/60/48/411446048.db2.gz ZQAGVPVIQTXDLL-ONGXEEELSA-N 2 0 246.355 -0.794 20 0 BBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659639428 411446246 /nfs/dbraw/zinc/44/62/46/411446246.db2.gz KOSHWKRYAAIQGA-JTQLQIEISA-N 2 0 246.355 -0.792 20 0 BBADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659639429 411446178 /nfs/dbraw/zinc/44/61/78/411446178.db2.gz KOSHWKRYAAIQGA-SNVBAGLBSA-N 2 0 246.355 -0.792 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NC(C)(C)C[NH3+] ZINC000659641185 411446076 /nfs/dbraw/zinc/44/60/76/411446076.db2.gz DKVXBFGAFAXTAN-SSDOTTSWSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NC(C)(C)C[NH3+] ZINC000659641186 411446241 /nfs/dbraw/zinc/44/62/41/411446241.db2.gz DKVXBFGAFAXTAN-ZETCQYMHSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659641262 411446012 /nfs/dbraw/zinc/44/60/12/411446012.db2.gz FTSGNYSQFGUQJH-AXFHLTTASA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659641263 411446254 /nfs/dbraw/zinc/44/62/54/411446254.db2.gz FTSGNYSQFGUQJH-DCAQKATOSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000659641264 411446067 /nfs/dbraw/zinc/44/60/67/411446067.db2.gz FTSGNYSQFGUQJH-GARJFASQSA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000659641265 411446149 /nfs/dbraw/zinc/44/61/49/411446149.db2.gz FTSGNYSQFGUQJH-HBNTYKKESA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000659641399 411276154 /nfs/dbraw/zinc/27/61/54/411276154.db2.gz FYIOJVRYHXJVFE-JGVFFNPUSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000659641409 411276171 /nfs/dbraw/zinc/27/61/71/411276171.db2.gz FYIOJVRYHXJVFE-YUMQZZPRSA-N 2 0 202.302 -0.369 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000659641488 411276695 /nfs/dbraw/zinc/27/66/95/411276695.db2.gz GBWBFMBUZRRTCF-SECBINFHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000659641489 411276992 /nfs/dbraw/zinc/27/69/92/411276992.db2.gz GBWBFMBUZRRTCF-VIFPVBQESA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000659641530 411276664 /nfs/dbraw/zinc/27/66/64/411276664.db2.gz GTIIVCFTACIQAS-AEJSXWLSSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000659641531 411277012 /nfs/dbraw/zinc/27/70/12/411277012.db2.gz GTIIVCFTACIQAS-GUBZILKMSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000659641532 411276653 /nfs/dbraw/zinc/27/66/53/411276653.db2.gz GTIIVCFTACIQAS-IVZWLZJFSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000659641533 411276911 /nfs/dbraw/zinc/27/69/11/411276911.db2.gz GTIIVCFTACIQAS-LPEHRKFASA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000659641780 411277801 /nfs/dbraw/zinc/27/78/01/411277801.db2.gz HVHRKQRSZIERLA-GXSJLCMTSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000659641781 411277509 /nfs/dbraw/zinc/27/75/09/411277509.db2.gz HVHRKQRSZIERLA-KOLCDFICSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000659641782 411277478 /nfs/dbraw/zinc/27/74/78/411277478.db2.gz HVHRKQRSZIERLA-MWLCHTKSSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000659641783 411277716 /nfs/dbraw/zinc/27/77/16/411277716.db2.gz HVHRKQRSZIERLA-ONGXEEELSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000659641814 411277850 /nfs/dbraw/zinc/27/78/50/411277850.db2.gz IHFDXTVUDYGZQB-AEJSXWLSSA-N 2 0 244.339 -0.648 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000659641815 411277382 /nfs/dbraw/zinc/27/73/82/411277382.db2.gz IHFDXTVUDYGZQB-GUBZILKMSA-N 2 0 244.339 -0.648 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000659641816 411277837 /nfs/dbraw/zinc/27/78/37/411277837.db2.gz IHFDXTVUDYGZQB-IVZWLZJFSA-N 2 0 244.339 -0.648 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000659641817 411277711 /nfs/dbraw/zinc/27/77/11/411277711.db2.gz IHFDXTVUDYGZQB-LPEHRKFASA-N 2 0 244.339 -0.648 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659641820 411277657 /nfs/dbraw/zinc/27/76/57/411277657.db2.gz IHTXRBRNAKTAGC-CMPLNLGQSA-N 2 0 240.351 -0.011 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659641821 411277907 /nfs/dbraw/zinc/27/79/07/411277907.db2.gz IHTXRBRNAKTAGC-JQWIXIFHSA-N 2 0 240.351 -0.011 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659641822 411277874 /nfs/dbraw/zinc/27/78/74/411277874.db2.gz IHTXRBRNAKTAGC-PWSUYJOCSA-N 2 0 240.351 -0.011 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659641823 411277373 /nfs/dbraw/zinc/27/73/73/411277373.db2.gz IHTXRBRNAKTAGC-ZYHUDNBSSA-N 2 0 240.351 -0.011 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000659642112 411277623 /nfs/dbraw/zinc/27/76/23/411277623.db2.gz JJEKIMZCYDZAPF-BDAKNGLRSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000659642113 411277765 /nfs/dbraw/zinc/27/77/65/411277765.db2.gz JJEKIMZCYDZAPF-DTWKUNHWSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000659642114 411277352 /nfs/dbraw/zinc/27/73/52/411277352.db2.gz JJEKIMZCYDZAPF-IUCAKERBSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000659642115 411277774 /nfs/dbraw/zinc/27/77/74/411277774.db2.gz JJEKIMZCYDZAPF-RKDXNWHRSA-N 2 0 214.313 -0.402 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000659642198 411277662 /nfs/dbraw/zinc/27/76/62/411277662.db2.gz JVNDCQUEDTXZSY-AEJSXWLSSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000659642199 411277620 /nfs/dbraw/zinc/27/76/20/411277620.db2.gz JVNDCQUEDTXZSY-GUBZILKMSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659642203 411277569 /nfs/dbraw/zinc/27/75/69/411277569.db2.gz JVNDCQUEDTXZSY-IVZWLZJFSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000659642210 411277698 /nfs/dbraw/zinc/27/76/98/411277698.db2.gz JVNDCQUEDTXZSY-LPEHRKFASA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000659642437 411277346 /nfs/dbraw/zinc/27/73/46/411277346.db2.gz KLIPLTKSFVOIBV-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H]1C[NH2+]C ZINC000659642439 411277682 /nfs/dbraw/zinc/27/76/82/411277682.db2.gz KLIPLTKSFVOIBV-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000659642441 411277592 /nfs/dbraw/zinc/27/75/92/411277592.db2.gz KLIPLTKSFVOIBV-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H]1C[NH2+]C ZINC000659642442 411277458 /nfs/dbraw/zinc/27/74/58/411277458.db2.gz KLIPLTKSFVOIBV-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000659642490 411447238 /nfs/dbraw/zinc/44/72/38/411447238.db2.gz KZIJRKXHZJOKDS-SECBINFHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000659642491 411446558 /nfs/dbraw/zinc/44/65/58/411446558.db2.gz KZIJRKXHZJOKDS-VIFPVBQESA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[NH2+]CC1 ZINC000659642766 411278280 /nfs/dbraw/zinc/27/82/80/411278280.db2.gz LZXBFZUNDWINJG-SECBINFHSA-N 2 0 214.313 -0.401 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[NH2+]CC1 ZINC000659642767 411278375 /nfs/dbraw/zinc/27/83/75/411278375.db2.gz LZXBFZUNDWINJG-VIFPVBQESA-N 2 0 214.313 -0.401 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000659643086 411286696 /nfs/dbraw/zinc/28/66/96/411286696.db2.gz NITHVWJBGLOFSJ-AEJSXWLSSA-N 2 0 228.340 -0.014 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000659643087 411286967 /nfs/dbraw/zinc/28/69/67/411286967.db2.gz NITHVWJBGLOFSJ-GUBZILKMSA-N 2 0 228.340 -0.014 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000659643088 411286425 /nfs/dbraw/zinc/28/64/25/411286425.db2.gz NITHVWJBGLOFSJ-IVZWLZJFSA-N 2 0 228.340 -0.014 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000659643089 411287103 /nfs/dbraw/zinc/28/71/03/411287103.db2.gz NITHVWJBGLOFSJ-LPEHRKFASA-N 2 0 228.340 -0.014 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH2+]CC1 ZINC000659643100 411289209 /nfs/dbraw/zinc/28/92/09/411289209.db2.gz NOGIFISAJCIALM-MRVPVSSYSA-N 2 0 200.286 -0.791 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH2+]CC1 ZINC000659643101 411289398 /nfs/dbraw/zinc/28/93/98/411289398.db2.gz NOGIFISAJCIALM-QMMMGPOBSA-N 2 0 200.286 -0.791 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000659643173 411291864 /nfs/dbraw/zinc/29/18/64/411291864.db2.gz PGDOPCQJPVZCOV-SECBINFHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000659643176 411291871 /nfs/dbraw/zinc/29/18/71/411291871.db2.gz PGDOPCQJPVZCOV-VIFPVBQESA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000659643290 411293336 /nfs/dbraw/zinc/29/33/36/411293336.db2.gz PWFAASSZHRCDSF-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000659643292 411293586 /nfs/dbraw/zinc/29/35/86/411293586.db2.gz PWFAASSZHRCDSF-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000659643337 411293574 /nfs/dbraw/zinc/29/35/74/411293574.db2.gz QYIQMJBHAVKXQY-NXEZZACHSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000659643338 411293398 /nfs/dbraw/zinc/29/33/98/411293398.db2.gz QYIQMJBHAVKXQY-UWVGGRQHSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000659643339 411293654 /nfs/dbraw/zinc/29/36/54/411293654.db2.gz QYIQMJBHAVKXQY-VHSXEESVSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000659643340 411293360 /nfs/dbraw/zinc/29/33/60/411293360.db2.gz QYIQMJBHAVKXQY-ZJUUUORDSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000659643472 411293430 /nfs/dbraw/zinc/29/34/30/411293430.db2.gz RKYKBSSBSJKXPS-HTQZYQBOSA-N 2 0 202.302 -0.417 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000659643476 411293858 /nfs/dbraw/zinc/29/38/58/411293858.db2.gz RKYKBSSBSJKXPS-JGVFFNPUSA-N 2 0 202.302 -0.417 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000659643477 411293566 /nfs/dbraw/zinc/29/35/66/411293566.db2.gz RKYKBSSBSJKXPS-SFYZADRCSA-N 2 0 202.302 -0.417 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000659643479 411293473 /nfs/dbraw/zinc/29/34/73/411293473.db2.gz RKYKBSSBSJKXPS-YUMQZZPRSA-N 2 0 202.302 -0.417 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000659643498 411293342 /nfs/dbraw/zinc/29/33/42/411293342.db2.gz RRNMEMXFBAURQH-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000659643500 411293563 /nfs/dbraw/zinc/29/35/63/411293563.db2.gz RRNMEMXFBAURQH-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000659643501 411293806 /nfs/dbraw/zinc/29/38/06/411293806.db2.gz RRNMEMXFBAURQH-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000659643502 411293766 /nfs/dbraw/zinc/29/37/66/411293766.db2.gz RRNMEMXFBAURQH-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000659643867 411447023 /nfs/dbraw/zinc/44/70/23/411447023.db2.gz UROFABHARYYLRG-GARJFASQSA-N 2 0 240.351 -0.060 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000659643868 411446844 /nfs/dbraw/zinc/44/68/44/411446844.db2.gz UROFABHARYYLRG-OUAUKWLOSA-N 2 0 240.351 -0.060 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000659644087 411295265 /nfs/dbraw/zinc/29/52/65/411295265.db2.gz VPINEXYJFVIWPY-GUBZILKMSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000659644088 411294882 /nfs/dbraw/zinc/29/48/82/411294882.db2.gz VPINEXYJFVIWPY-KXUCPTDWSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000659644089 411295527 /nfs/dbraw/zinc/29/55/27/411295527.db2.gz VPINEXYJFVIWPY-LPEHRKFASA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000659644090 411295122 /nfs/dbraw/zinc/29/51/22/411295122.db2.gz VPINEXYJFVIWPY-UTLUCORTSA-N 2 0 228.340 -0.027 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)C1CC([NH3+])C1 ZINC000659644347 487682906 /nfs/dbraw/zinc/68/29/06/487682906.db2.gz WMCZSPXTZUZXEC-AFPNSQJFSA-N 2 0 214.313 -0.275 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)C1CC([NH3+])C1 ZINC000659644350 487682233 /nfs/dbraw/zinc/68/22/33/487682233.db2.gz WMCZSPXTZUZXEC-UEJVZZJDSA-N 2 0 214.313 -0.275 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000659644491 487684876 /nfs/dbraw/zinc/68/48/76/487684876.db2.gz XPZTZBJEXLHMQR-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000659644501 487684732 /nfs/dbraw/zinc/68/47/32/487684732.db2.gz XPZTZBJEXLHMQR-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000659644579 487690311 /nfs/dbraw/zinc/69/03/11/487690311.db2.gz XXTCUCOPXDVZHA-CIUDSAMLSA-N 2 0 214.313 -0.275 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000659644587 487690512 /nfs/dbraw/zinc/69/05/12/487690512.db2.gz XXTCUCOPXDVZHA-VGMNWLOBSA-N 2 0 214.313 -0.275 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000659645949 411447316 /nfs/dbraw/zinc/44/73/16/411447316.db2.gz FZBNYYKVDXSFQR-SECBINFHSA-N 2 0 216.329 -0.203 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000659645950 411446679 /nfs/dbraw/zinc/44/66/79/411446679.db2.gz FZBNYYKVDXSFQR-VIFPVBQESA-N 2 0 216.329 -0.203 20 0 BBADRP CCN1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659850420 411476538 /nfs/dbraw/zinc/47/65/38/411476538.db2.gz PKNHDXDOMNMTEM-AXFHLTTASA-N 2 0 223.320 -0.242 20 0 BBADRP CCN1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659850421 411475706 /nfs/dbraw/zinc/47/57/06/411475706.db2.gz PKNHDXDOMNMTEM-DCAQKATOSA-N 2 0 223.320 -0.242 20 0 BBADRP CCN1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000659850422 411475835 /nfs/dbraw/zinc/47/58/35/411475835.db2.gz PKNHDXDOMNMTEM-MXWKQRLJSA-N 2 0 223.320 -0.242 20 0 BBADRP CCN1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000659850423 411475777 /nfs/dbraw/zinc/47/57/77/411475777.db2.gz PKNHDXDOMNMTEM-OUAUKWLOSA-N 2 0 223.320 -0.242 20 0 BBADRP COC[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000659851073 411476842 /nfs/dbraw/zinc/47/68/42/411476842.db2.gz YNEQFVSLKLQZCN-AXFHLTTASA-N 2 0 214.309 -0.201 20 0 BBADRP COC[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000659851074 411477118 /nfs/dbraw/zinc/47/71/18/411477118.db2.gz YNEQFVSLKLQZCN-DCAQKATOSA-N 2 0 214.309 -0.201 20 0 BBADRP COC[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000659851075 411477039 /nfs/dbraw/zinc/47/70/39/411477039.db2.gz YNEQFVSLKLQZCN-MXWKQRLJSA-N 2 0 214.309 -0.201 20 0 BBADRP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](O)C[C@H]1CO ZINC000660300905 411566545 /nfs/dbraw/zinc/56/65/45/411566545.db2.gz VINHKIMBEVZPCQ-QJPTWQEYSA-N 2 0 246.351 -0.885 20 0 BBADRP [NH3+][C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235197 411383529 /nfs/dbraw/zinc/38/35/29/411383529.db2.gz OWMJAUSREAQPSX-GHMZBOCLSA-N 2 0 225.336 -0.070 20 0 BBADRP [NH3+][C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235211 411383510 /nfs/dbraw/zinc/38/35/10/411383510.db2.gz OWMJAUSREAQPSX-MNOVXSKESA-N 2 0 225.336 -0.070 20 0 BBADRP [NH3+][C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235216 411383548 /nfs/dbraw/zinc/38/35/48/411383548.db2.gz OWMJAUSREAQPSX-QWRGUYRKSA-N 2 0 225.336 -0.070 20 0 BBADRP [NH3+][C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662235223 411382975 /nfs/dbraw/zinc/38/29/75/411382975.db2.gz OWMJAUSREAQPSX-WDEREUQCSA-N 2 0 225.336 -0.070 20 0 BBADRP [NH3+]CC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662235326 412033824 /nfs/dbraw/zinc/03/38/24/412033824.db2.gz QGRZXBIXTTUYCO-LLVKDONJSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]CC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662235327 412034785 /nfs/dbraw/zinc/03/47/85/412034785.db2.gz QGRZXBIXTTUYCO-NSHDSACASA-N 2 0 213.325 -0.355 20 0 BBADRP CN(C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000662238756 487471269 /nfs/dbraw/zinc/47/12/69/487471269.db2.gz VWOFCZXFPORQRT-LLVKDONJSA-N 2 0 213.325 -0.341 20 0 BBADRP CN(C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000662238759 487471430 /nfs/dbraw/zinc/47/14/30/487471430.db2.gz VWOFCZXFPORQRT-NSHDSACASA-N 2 0 213.325 -0.341 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662238837 412035397 /nfs/dbraw/zinc/03/53/97/412035397.db2.gz YHVYJNLOUKAKJH-NEPJUHHUSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662238838 412034749 /nfs/dbraw/zinc/03/47/49/412034749.db2.gz YHVYJNLOUKAKJH-NWDGAFQWSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662238839 412035819 /nfs/dbraw/zinc/03/58/19/412035819.db2.gz YHVYJNLOUKAKJH-RYUDHWBXSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH2+]C[C@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662238840 412035634 /nfs/dbraw/zinc/03/56/34/412035634.db2.gz YHVYJNLOUKAKJH-VXGBXAGGSA-N 2 0 227.352 -0.094 20 0 BBADRP C([C@H]1CCC2(C[NH2+]C2)O1)N1CCC[NH2+]CC1 ZINC000662239379 409525314 /nfs/dbraw/zinc/52/53/14/409525314.db2.gz BTMKAQFGOHPSQA-LLVKDONJSA-N 2 0 225.336 -0.197 20 0 BBADRP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCC[NH2+]CC1 ZINC000662239382 409526113 /nfs/dbraw/zinc/52/61/13/409526113.db2.gz BTMKAQFGOHPSQA-NSHDSACASA-N 2 0 225.336 -0.197 20 0 BBADRP [NH3+]C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662239398 412037939 /nfs/dbraw/zinc/03/79/39/412037939.db2.gz BVTJXVFQQDKKNN-LLVKDONJSA-N 2 0 225.336 -0.070 20 0 BBADRP [NH3+]C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662239400 412037281 /nfs/dbraw/zinc/03/72/81/412037281.db2.gz BVTJXVFQQDKKNN-NSHDSACASA-N 2 0 225.336 -0.070 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241286 409528502 /nfs/dbraw/zinc/52/85/02/409528502.db2.gz RUQHDZINFOCBEU-GHMZBOCLSA-N 2 0 225.336 -0.199 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241287 409528402 /nfs/dbraw/zinc/52/84/02/409528402.db2.gz RUQHDZINFOCBEU-MNOVXSKESA-N 2 0 225.336 -0.199 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241288 409528678 /nfs/dbraw/zinc/52/86/78/409528678.db2.gz RUQHDZINFOCBEU-QWRGUYRKSA-N 2 0 225.336 -0.199 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241289 409528241 /nfs/dbraw/zinc/52/82/41/409528241.db2.gz RUQHDZINFOCBEU-WDEREUQCSA-N 2 0 225.336 -0.199 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241697 412037333 /nfs/dbraw/zinc/03/73/33/412037333.db2.gz VSIIKTQCKKUVKH-NXEZZACHSA-N 2 0 211.309 -0.460 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662241698 412036434 /nfs/dbraw/zinc/03/64/34/412036434.db2.gz VSIIKTQCKKUVKH-ZJUUUORDSA-N 2 0 211.309 -0.460 20 0 BBADRP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242329 412037469 /nfs/dbraw/zinc/03/74/69/412037469.db2.gz CVODSRVUWACLGH-GHMZBOCLSA-N 3 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242332 412037754 /nfs/dbraw/zinc/03/77/54/412037754.db2.gz CVODSRVUWACLGH-MNOVXSKESA-N 3 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242335 412036770 /nfs/dbraw/zinc/03/67/70/412036770.db2.gz CVODSRVUWACLGH-QWRGUYRKSA-N 3 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662242337 412037511 /nfs/dbraw/zinc/03/75/11/412037511.db2.gz CVODSRVUWACLGH-WDEREUQCSA-N 3 0 225.336 -0.212 20 0 BBADRP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000662242632 412036700 /nfs/dbraw/zinc/03/67/00/412036700.db2.gz CYZPDPDPIHEMKM-AXFHLTTASA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000662242634 412037384 /nfs/dbraw/zinc/03/73/84/412037384.db2.gz CYZPDPDPIHEMKM-GMTAPVOTSA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000662242636 412037709 /nfs/dbraw/zinc/03/77/09/412037709.db2.gz CYZPDPDPIHEMKM-MXWKQRLJSA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000662242637 412036865 /nfs/dbraw/zinc/03/68/65/412036865.db2.gz CYZPDPDPIHEMKM-OUAUKWLOSA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662242880 412036449 /nfs/dbraw/zinc/03/64/49/412036449.db2.gz DVBUWWORIFKTEK-GMTAPVOTSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662242881 412038000 /nfs/dbraw/zinc/03/80/00/412038000.db2.gz DVBUWWORIFKTEK-MXWKQRLJSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662242883 412037908 /nfs/dbraw/zinc/03/79/08/412037908.db2.gz DVBUWWORIFKTEK-OUAUKWLOSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662242885 412037163 /nfs/dbraw/zinc/03/71/63/412037163.db2.gz DVBUWWORIFKTEK-VWYCJHECSA-N 2 0 213.325 -0.356 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000662243684 412039290 /nfs/dbraw/zinc/03/92/90/412039290.db2.gz OMGYDUCYRRPSSI-GHMZBOCLSA-N 2 0 213.325 -0.212 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662243685 409531798 /nfs/dbraw/zinc/53/17/98/409531798.db2.gz OMGYDUCYRRPSSI-MNOVXSKESA-N 2 0 213.325 -0.212 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662243686 409532137 /nfs/dbraw/zinc/53/21/37/409532137.db2.gz OMGYDUCYRRPSSI-QWRGUYRKSA-N 2 0 213.325 -0.212 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000662243687 409532153 /nfs/dbraw/zinc/53/21/53/409532153.db2.gz OMGYDUCYRRPSSI-WDEREUQCSA-N 2 0 213.325 -0.212 20 0 BBADRP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[NH2+]1 ZINC000662243716 412039925 /nfs/dbraw/zinc/03/99/25/412039925.db2.gz JJCACQNYRRAWEW-GHMZBOCLSA-N 2 0 225.336 -0.199 20 0 BBADRP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[NH2+]1 ZINC000662243717 412039161 /nfs/dbraw/zinc/03/91/61/412039161.db2.gz JJCACQNYRRAWEW-MNOVXSKESA-N 2 0 225.336 -0.199 20 0 BBADRP C[C@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[NH2+]1 ZINC000662243718 412038530 /nfs/dbraw/zinc/03/85/30/412038530.db2.gz JJCACQNYRRAWEW-QWRGUYRKSA-N 2 0 225.336 -0.199 20 0 BBADRP C[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[NH2+]1 ZINC000662243719 412039637 /nfs/dbraw/zinc/03/96/37/412039637.db2.gz JJCACQNYRRAWEW-WDEREUQCSA-N 2 0 225.336 -0.199 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244515 412041132 /nfs/dbraw/zinc/04/11/32/412041132.db2.gz IALQYUXUCFIWIA-JTQLQIEISA-N 3 0 213.325 -0.212 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244516 412042009 /nfs/dbraw/zinc/04/20/09/412042009.db2.gz IALQYUXUCFIWIA-SNVBAGLBSA-N 3 0 213.325 -0.212 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244591 412041474 /nfs/dbraw/zinc/04/14/74/412041474.db2.gz RFEJFGJIAGVZFG-GHMZBOCLSA-N 2 0 225.336 -0.199 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244598 412040730 /nfs/dbraw/zinc/04/07/30/412040730.db2.gz RFEJFGJIAGVZFG-MNOVXSKESA-N 2 0 225.336 -0.199 20 0 BBADRP C[C@H]1C[NH2+]CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244603 412041521 /nfs/dbraw/zinc/04/15/21/412041521.db2.gz RFEJFGJIAGVZFG-QWRGUYRKSA-N 2 0 225.336 -0.199 20 0 BBADRP C[C@H]1C[NH2+]CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244613 412041811 /nfs/dbraw/zinc/04/18/11/412041811.db2.gz RFEJFGJIAGVZFG-WDEREUQCSA-N 2 0 225.336 -0.199 20 0 BBADRP C[NH2+][C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662244725 409533485 /nfs/dbraw/zinc/53/34/85/409533485.db2.gz GFZUJRMJJJSWEO-GHMZBOCLSA-N 2 0 213.325 -0.341 20 0 BBADRP C[NH2+][C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662244726 409535337 /nfs/dbraw/zinc/53/53/37/409535337.db2.gz GFZUJRMJJJSWEO-MNOVXSKESA-N 2 0 213.325 -0.341 20 0 BBADRP C[NH2+][C@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662244727 409535149 /nfs/dbraw/zinc/53/51/49/409535149.db2.gz GFZUJRMJJJSWEO-QWRGUYRKSA-N 2 0 213.325 -0.341 20 0 BBADRP C[NH2+][C@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662244728 409535836 /nfs/dbraw/zinc/53/58/36/409535836.db2.gz GFZUJRMJJJSWEO-WDEREUQCSA-N 2 0 213.325 -0.341 20 0 BBADRP C[NH2+]CC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662244729 409535075 /nfs/dbraw/zinc/53/50/75/409535075.db2.gz GHPFLUBVYUAQMF-GFCCVEGCSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH2+]CC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662244730 409536132 /nfs/dbraw/zinc/53/61/32/409536132.db2.gz GHPFLUBVYUAQMF-LBPRGKRZSA-N 2 0 227.352 -0.094 20 0 BBADRP C[C@H](C[NH3+])N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244931 412042058 /nfs/dbraw/zinc/04/20/58/412042058.db2.gz PSVUYQAFORPPSJ-NXEZZACHSA-N 3 0 213.325 -0.214 20 0 BBADRP C[C@@H](C[NH3+])N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244932 412041677 /nfs/dbraw/zinc/04/16/77/412041677.db2.gz PSVUYQAFORPPSJ-UWVGGRQHSA-N 3 0 213.325 -0.214 20 0 BBADRP C[C@@H](C[NH3+])N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662244933 412040922 /nfs/dbraw/zinc/04/09/22/412040922.db2.gz PSVUYQAFORPPSJ-VHSXEESVSA-N 3 0 213.325 -0.214 20 0 BBADRP C[C@H](C[NH3+])N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662244934 412042101 /nfs/dbraw/zinc/04/21/01/412042101.db2.gz PSVUYQAFORPPSJ-ZJUUUORDSA-N 3 0 213.325 -0.214 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662245101 412042142 /nfs/dbraw/zinc/04/21/42/412042142.db2.gz KKLYDEUXZSKLJF-GRYCIOLGSA-N 2 0 225.336 -0.199 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662245102 412040888 /nfs/dbraw/zinc/04/08/88/412040888.db2.gz KKLYDEUXZSKLJF-WOPDTQHZSA-N 2 0 225.336 -0.199 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C[C@H]1C[NH2+]CCO1 ZINC000662245143 412041577 /nfs/dbraw/zinc/04/15/77/412041577.db2.gz KYGFVJDZMBNSKR-GHMZBOCLSA-N 2 0 213.325 -0.341 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662245144 412041280 /nfs/dbraw/zinc/04/12/80/412041280.db2.gz KYGFVJDZMBNSKR-MNOVXSKESA-N 2 0 213.325 -0.341 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662245147 412042217 /nfs/dbraw/zinc/04/22/17/412042217.db2.gz KYGFVJDZMBNSKR-QWRGUYRKSA-N 2 0 213.325 -0.341 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C[C@H]1C[NH2+]CCO1 ZINC000662245149 412040723 /nfs/dbraw/zinc/04/07/23/412040723.db2.gz KYGFVJDZMBNSKR-WDEREUQCSA-N 2 0 213.325 -0.341 20 0 BBADRP [NH3+][C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662245902 412043104 /nfs/dbraw/zinc/04/31/04/412043104.db2.gz VSIIKTQCKKUVKH-UWVGGRQHSA-N 2 0 211.309 -0.460 20 0 BBADRP [NH3+][C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662245903 412043914 /nfs/dbraw/zinc/04/39/14/412043914.db2.gz VSIIKTQCKKUVKH-VHSXEESVSA-N 2 0 211.309 -0.460 20 0 BBADRP COC[C@@H](C[N@H+](C)CCN1CC[NH2+]CC1)OC ZINC000662246090 412043803 /nfs/dbraw/zinc/04/38/03/412043803.db2.gz OMYHDQDKECMOHV-GFCCVEGCSA-N 2 0 245.367 -0.515 20 0 BBADRP COC[C@H](C[N@H+](C)CCN1CC[NH2+]CC1)OC ZINC000662246091 412043052 /nfs/dbraw/zinc/04/30/52/412043052.db2.gz OMYHDQDKECMOHV-LBPRGKRZSA-N 2 0 245.367 -0.515 20 0 BBADRP CN1CCC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000662246577 412043042 /nfs/dbraw/zinc/04/30/42/412043042.db2.gz ZKNFLITUEOIVBP-NXEZZACHSA-N 2 0 211.309 -0.112 20 0 BBADRP CN1CCC[C@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000662246581 412043627 /nfs/dbraw/zinc/04/36/27/412043627.db2.gz ZKNFLITUEOIVBP-UWVGGRQHSA-N 2 0 211.309 -0.112 20 0 BBADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000662246584 412043747 /nfs/dbraw/zinc/04/37/47/412043747.db2.gz ZKNFLITUEOIVBP-VHSXEESVSA-N 2 0 211.309 -0.112 20 0 BBADRP CN1CCC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000662246587 412043234 /nfs/dbraw/zinc/04/32/34/412043234.db2.gz ZKNFLITUEOIVBP-ZJUUUORDSA-N 2 0 211.309 -0.112 20 0 BBADRP CN(C[C@@H]1C[NH2+]CCO1)CC(C)(C)C[NH3+] ZINC000662246675 412043911 /nfs/dbraw/zinc/04/39/11/412043911.db2.gz AZAPWLGDQAAJAA-JTQLQIEISA-N 2 0 215.341 -0.109 20 0 BBADRP CN(C[C@H]1C[NH2+]CCO1)CC(C)(C)C[NH3+] ZINC000662246676 412042813 /nfs/dbraw/zinc/04/28/13/412042813.db2.gz AZAPWLGDQAAJAA-SNVBAGLBSA-N 2 0 215.341 -0.109 20 0 BBADRP [NH3+]C[C@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662246962 412044335 /nfs/dbraw/zinc/04/43/35/412044335.db2.gz WFGNFCJHLWXBFR-GHMZBOCLSA-N 3 0 225.336 -0.070 20 0 BBADRP [NH3+]C[C@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662246965 412044413 /nfs/dbraw/zinc/04/44/13/412044413.db2.gz WFGNFCJHLWXBFR-MNOVXSKESA-N 3 0 225.336 -0.070 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CCO1 ZINC000662247593 412044934 /nfs/dbraw/zinc/04/49/34/412044934.db2.gz GMHUWHYYXQGJQX-AXFHLTTASA-N 2 0 229.324 -0.977 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000662247594 412044280 /nfs/dbraw/zinc/04/42/80/412044280.db2.gz GMHUWHYYXQGJQX-DCAQKATOSA-N 2 0 229.324 -0.977 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000662247595 412044862 /nfs/dbraw/zinc/04/48/62/412044862.db2.gz GMHUWHYYXQGJQX-GARJFASQSA-N 2 0 229.324 -0.977 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2C[NH2+]CCO2)CCO1 ZINC000662247596 412045222 /nfs/dbraw/zinc/04/52/22/412045222.db2.gz GMHUWHYYXQGJQX-HBNTYKKESA-N 2 0 229.324 -0.977 20 0 BBADRP CN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662247718 409546577 /nfs/dbraw/zinc/54/65/77/409546577.db2.gz ZEIRXPLRFKJZIT-GHMZBOCLSA-N 2 0 225.336 -0.199 20 0 BBADRP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662247719 409544581 /nfs/dbraw/zinc/54/45/81/409544581.db2.gz ZEIRXPLRFKJZIT-MNOVXSKESA-N 2 0 225.336 -0.199 20 0 BBADRP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662247720 409549081 /nfs/dbraw/zinc/54/90/81/409549081.db2.gz ZEIRXPLRFKJZIT-QWRGUYRKSA-N 2 0 225.336 -0.199 20 0 BBADRP CN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662247721 409548059 /nfs/dbraw/zinc/54/80/59/409548059.db2.gz ZEIRXPLRFKJZIT-WDEREUQCSA-N 2 0 225.336 -0.199 20 0 BBADRP CC(C)[N@@H+](CC(N)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248967 409548763 /nfs/dbraw/zinc/54/87/63/409548763.db2.gz GBLDTCSTUOYBRZ-JTQLQIEISA-N 2 0 241.335 -0.297 20 0 BBADRP CC(C)[N@@H+](CC(N)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248970 409549165 /nfs/dbraw/zinc/54/91/65/409549165.db2.gz GBLDTCSTUOYBRZ-SNVBAGLBSA-N 2 0 241.335 -0.297 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC[C@H]1C[NH2+]CCO1 ZINC000662249045 412046177 /nfs/dbraw/zinc/04/61/77/412046177.db2.gz HGJMLYAIWUKESJ-GHMZBOCLSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC[C@H]1C[NH2+]CCO1 ZINC000662249046 412046872 /nfs/dbraw/zinc/04/68/72/412046872.db2.gz HGJMLYAIWUKESJ-MNOVXSKESA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[NH2+]CCO1 ZINC000662249047 412046336 /nfs/dbraw/zinc/04/63/36/412046336.db2.gz HGJMLYAIWUKESJ-QWRGUYRKSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC[C@@H]1C[NH2+]CCO1 ZINC000662249048 412046375 /nfs/dbraw/zinc/04/63/75/412046375.db2.gz HGJMLYAIWUKESJ-WDEREUQCSA-N 2 0 215.341 -0.062 20 0 BBADRP OCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251102 412049252 /nfs/dbraw/zinc/04/92/52/412049252.db2.gz YUTLWJSROFPSRA-LLVKDONJSA-N 2 0 226.320 -0.036 20 0 BBADRP OCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251103 412049953 /nfs/dbraw/zinc/04/99/53/412049953.db2.gz YUTLWJSROFPSRA-NSHDSACASA-N 2 0 226.320 -0.036 20 0 BBADRP CNC(=O)CC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256167 412051212 /nfs/dbraw/zinc/05/12/12/412051212.db2.gz HSSYAQHZKQVSMD-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP CNC(=O)CC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256168 412051986 /nfs/dbraw/zinc/05/19/86/412051986.db2.gz HSSYAQHZKQVSMD-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP OCC[C@@H]1CSCCN1C[C@H]1C[NH2+]CCO1 ZINC000662259109 412053181 /nfs/dbraw/zinc/05/31/81/412053181.db2.gz QCSXJFXXFGVALZ-GHMZBOCLSA-N 2 0 246.376 -0.225 20 0 BBADRP OCC[C@@H]1CSCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662259110 412054865 /nfs/dbraw/zinc/05/48/65/412054865.db2.gz QCSXJFXXFGVALZ-MNOVXSKESA-N 2 0 246.376 -0.225 20 0 BBADRP OCC[C@H]1CSCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662259111 412053604 /nfs/dbraw/zinc/05/36/04/412053604.db2.gz QCSXJFXXFGVALZ-QWRGUYRKSA-N 2 0 246.376 -0.225 20 0 BBADRP OCC[C@H]1CSCCN1C[C@H]1C[NH2+]CCO1 ZINC000662259112 412053973 /nfs/dbraw/zinc/05/39/73/412053973.db2.gz QCSXJFXXFGVALZ-WDEREUQCSA-N 2 0 246.376 -0.225 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662263931 409555179 /nfs/dbraw/zinc/55/51/79/409555179.db2.gz GIZWSPCQMIIXEQ-NEPJUHHUSA-N 2 0 225.336 -0.199 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662263934 409554901 /nfs/dbraw/zinc/55/49/01/409554901.db2.gz GIZWSPCQMIIXEQ-NWDGAFQWSA-N 2 0 225.336 -0.199 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662263946 409556719 /nfs/dbraw/zinc/55/67/19/409556719.db2.gz GIZWSPCQMIIXEQ-RYUDHWBXSA-N 2 0 225.336 -0.199 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662263952 409557109 /nfs/dbraw/zinc/55/71/09/409557109.db2.gz GIZWSPCQMIIXEQ-VXGBXAGGSA-N 2 0 225.336 -0.199 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264659 409561304 /nfs/dbraw/zinc/56/13/04/409561304.db2.gz FBKMFYVAHASNGW-AXFHLTTASA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264923 409558963 /nfs/dbraw/zinc/55/89/63/409558963.db2.gz FBKMFYVAHASNGW-DCAQKATOSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662264924 409560987 /nfs/dbraw/zinc/56/09/87/409560987.db2.gz FBKMFYVAHASNGW-GARJFASQSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662264927 409559871 /nfs/dbraw/zinc/55/98/71/409559871.db2.gz FBKMFYVAHASNGW-HBNTYKKESA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1C[NH2+]CCO1 ZINC000662265465 412058941 /nfs/dbraw/zinc/05/89/41/412058941.db2.gz BLGFJYGORWPHTM-AXFHLTTASA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1C[NH2+]CCO1 ZINC000662265466 412058476 /nfs/dbraw/zinc/05/84/76/412058476.db2.gz BLGFJYGORWPHTM-OUAUKWLOSA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CNCCO1 ZINC000662265923 412058240 /nfs/dbraw/zinc/05/82/40/412058240.db2.gz UFETVGVVGQGXKX-GMTAPVOTSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CNCCO1 ZINC000662265924 412059026 /nfs/dbraw/zinc/05/90/26/412059026.db2.gz UFETVGVVGQGXKX-MXWKQRLJSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CNCCO1 ZINC000662265925 412058681 /nfs/dbraw/zinc/05/86/81/412058681.db2.gz UFETVGVVGQGXKX-OUAUKWLOSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CNCCO1 ZINC000662265926 412059120 /nfs/dbraw/zinc/05/91/20/412059120.db2.gz UFETVGVVGQGXKX-VWYCJHECSA-N 2 0 213.325 -0.356 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266311 412057776 /nfs/dbraw/zinc/05/77/76/412057776.db2.gz LWSNZAINRYHNLB-NEPJUHHUSA-N 2 0 225.336 -0.340 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266312 412057313 /nfs/dbraw/zinc/05/73/13/412057313.db2.gz LWSNZAINRYHNLB-NWDGAFQWSA-N 2 0 225.336 -0.340 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266313 412057605 /nfs/dbraw/zinc/05/76/05/412057605.db2.gz LWSNZAINRYHNLB-RYUDHWBXSA-N 2 0 225.336 -0.340 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266315 412057536 /nfs/dbraw/zinc/05/75/36/412057536.db2.gz LWSNZAINRYHNLB-VXGBXAGGSA-N 2 0 225.336 -0.340 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267853 412060551 /nfs/dbraw/zinc/06/05/51/412060551.db2.gz ZLSAUHXKNUUWFW-GHMZBOCLSA-N 2 0 241.335 -0.833 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267860 412059553 /nfs/dbraw/zinc/05/95/53/412059553.db2.gz ZLSAUHXKNUUWFW-MNOVXSKESA-N 2 0 241.335 -0.833 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267862 412061466 /nfs/dbraw/zinc/06/14/66/412061466.db2.gz ZLSAUHXKNUUWFW-QWRGUYRKSA-N 2 0 241.335 -0.833 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662267864 412060214 /nfs/dbraw/zinc/06/02/14/412060214.db2.gz ZLSAUHXKNUUWFW-WDEREUQCSA-N 2 0 241.335 -0.833 20 0 BBADRP CC1([NH3+])CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662271497 487517580 /nfs/dbraw/zinc/51/75/80/487517580.db2.gz VIHYNETXDUMYHO-JTQLQIEISA-N 2 0 213.325 -0.212 20 0 BBADRP CC1([NH3+])CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662271500 487517313 /nfs/dbraw/zinc/51/73/13/487517313.db2.gz VIHYNETXDUMYHO-SNVBAGLBSA-N 2 0 213.325 -0.212 20 0 BBADRP CC(C)[C@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000662271515 487517100 /nfs/dbraw/zinc/51/71/00/487517100.db2.gz VNZBWPCHVXWXFK-NWDGAFQWSA-N 2 0 227.352 -0.095 20 0 BBADRP CC(C)[C@H]1CN(C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000662271516 487517028 /nfs/dbraw/zinc/51/70/28/487517028.db2.gz VNZBWPCHVXWXFK-VXGBXAGGSA-N 2 0 227.352 -0.095 20 0 BBADRP C([C@H]1CCC2(C[NH2+]C2)O1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662271670 487518613 /nfs/dbraw/zinc/51/86/13/487518613.db2.gz IIVTVSXYMVIZEP-GRYCIOLGSA-N 2 0 237.347 -0.341 20 0 BBADRP C([C@@H]1CCC2(C[NH2+]C2)O1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662271672 487518848 /nfs/dbraw/zinc/51/88/48/487518848.db2.gz IIVTVSXYMVIZEP-TUAOUCFPSA-N 2 0 237.347 -0.341 20 0 BBADRP C[C@@]1(F)C[NH2+]CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662272349 409579013 /nfs/dbraw/zinc/57/90/13/409579013.db2.gz FIHOREJYDZGGSY-GHMZBOCLSA-N 2 0 231.315 -0.392 20 0 BBADRP C[C@]1(F)C[NH2+]CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662272350 409578448 /nfs/dbraw/zinc/57/84/48/409578448.db2.gz FIHOREJYDZGGSY-MNOVXSKESA-N 2 0 231.315 -0.392 20 0 BBADRP C[C@]1(F)C[NH2+]CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662272352 409577095 /nfs/dbraw/zinc/57/70/95/409577095.db2.gz FIHOREJYDZGGSY-QWRGUYRKSA-N 2 0 231.315 -0.392 20 0 BBADRP C[C@@]1(F)C[NH2+]CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662272353 409577263 /nfs/dbraw/zinc/57/72/63/409577263.db2.gz FIHOREJYDZGGSY-WDEREUQCSA-N 2 0 231.315 -0.392 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662273099 412066077 /nfs/dbraw/zinc/06/60/77/412066077.db2.gz SOTDWUOGAOZVRT-AXFHLTTASA-N 2 0 211.309 -0.874 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662273100 412065126 /nfs/dbraw/zinc/06/51/26/412065126.db2.gz SOTDWUOGAOZVRT-OUAUKWLOSA-N 2 0 211.309 -0.874 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1C[NH2+]CCO1 ZINC000662273191 409580418 /nfs/dbraw/zinc/58/04/18/409580418.db2.gz MKUPXBPJYDTEMC-DCAQKATOSA-N 2 0 231.315 -0.393 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1C[NH2+]CCO1 ZINC000662273192 409580179 /nfs/dbraw/zinc/58/01/79/409580179.db2.gz MKUPXBPJYDTEMC-GARJFASQSA-N 2 0 231.315 -0.393 20 0 BBADRP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)C1C[NH2+]C1 ZINC000662273197 412065248 /nfs/dbraw/zinc/06/52/48/412065248.db2.gz MSMFALYFGWLHBT-JTQLQIEISA-N 2 0 211.309 -0.589 20 0 BBADRP CN(C[C@H]1CCC2(C[NH2+]C2)O1)C1C[NH2+]C1 ZINC000662273198 412064840 /nfs/dbraw/zinc/06/48/40/412064840.db2.gz MSMFALYFGWLHBT-SNVBAGLBSA-N 2 0 211.309 -0.589 20 0 BBADRP CN(C[C@@H]1C[NH2+]CCO1)C1(C[NH3+])CCC1 ZINC000662273260 412064927 /nfs/dbraw/zinc/06/49/27/412064927.db2.gz KWVWLBDJOLLMKC-JTQLQIEISA-N 2 0 213.325 -0.212 20 0 BBADRP CN(C[C@H]1C[NH2+]CCO1)C1(C[NH3+])CCC1 ZINC000662273261 412065153 /nfs/dbraw/zinc/06/51/53/412065153.db2.gz KWVWLBDJOLLMKC-SNVBAGLBSA-N 2 0 213.325 -0.212 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662273439 412064866 /nfs/dbraw/zinc/06/48/66/412064866.db2.gz XEAIIACIZITMFI-AXFHLTTASA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1[NH2+]CCN(C[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000662273440 412065181 /nfs/dbraw/zinc/06/51/81/412065181.db2.gz XEAIIACIZITMFI-DCAQKATOSA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1[NH2+]CCN(C[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000662273441 412066279 /nfs/dbraw/zinc/06/62/79/412066279.db2.gz XEAIIACIZITMFI-GARJFASQSA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000662273442 412065393 /nfs/dbraw/zinc/06/53/93/412065393.db2.gz XEAIIACIZITMFI-HBNTYKKESA-N 2 0 213.325 -0.343 20 0 BBADRP CN(C[C@H]1C[NH2+]CCO1)[C@H](C[NH3+])C1CC1 ZINC000662273633 490044767 /nfs/dbraw/zinc/04/47/67/490044767.db2.gz PZSZELATHYBGTF-GHMZBOCLSA-N 2 0 213.325 -0.356 20 0 BBADRP CN(C[C@H]1C[NH2+]CCO1)[C@@H](C[NH3+])C1CC1 ZINC000662273634 490044702 /nfs/dbraw/zinc/04/47/02/490044702.db2.gz PZSZELATHYBGTF-MNOVXSKESA-N 2 0 213.325 -0.356 20 0 BBADRP CN(C[C@@H]1C[NH2+]CCO1)[C@@H](C[NH3+])C1CC1 ZINC000662273635 490044852 /nfs/dbraw/zinc/04/48/52/490044852.db2.gz PZSZELATHYBGTF-QWRGUYRKSA-N 2 0 213.325 -0.356 20 0 BBADRP CN(C[C@@H]1C[NH2+]CCO1)[C@H](C[NH3+])C1CC1 ZINC000662273636 490044743 /nfs/dbraw/zinc/04/47/43/490044743.db2.gz PZSZELATHYBGTF-WDEREUQCSA-N 2 0 213.325 -0.356 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662273799 412066251 /nfs/dbraw/zinc/06/62/51/412066251.db2.gz PJMRLPOBFBNHKT-GRYCIOLGSA-N 2 0 225.336 -0.341 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662273800 412064619 /nfs/dbraw/zinc/06/46/19/412064619.db2.gz PJMRLPOBFBNHKT-SDDRHHMPSA-N 2 0 225.336 -0.341 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662273801 412065428 /nfs/dbraw/zinc/06/54/28/412065428.db2.gz PJMRLPOBFBNHKT-SRVKXCTJSA-N 2 0 225.336 -0.341 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662273802 412065491 /nfs/dbraw/zinc/06/54/91/412065491.db2.gz PJMRLPOBFBNHKT-WOPDTQHZSA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000662273832 490044881 /nfs/dbraw/zinc/04/48/81/490044881.db2.gz AENCJSJJNMSKEF-GMTAPVOTSA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000662273834 490045104 /nfs/dbraw/zinc/04/51/04/490045104.db2.gz AENCJSJJNMSKEF-MXWKQRLJSA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000662273837 490044898 /nfs/dbraw/zinc/04/48/98/490044898.db2.gz AENCJSJJNMSKEF-OUAUKWLOSA-N 2 0 213.325 -0.343 20 0 BBADRP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000662273839 490044691 /nfs/dbraw/zinc/04/46/91/490044691.db2.gz AENCJSJJNMSKEF-VWYCJHECSA-N 2 0 213.325 -0.343 20 0 BBADRP C([C@H]1CNCCO1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274083 412065578 /nfs/dbraw/zinc/06/55/78/412065578.db2.gz QYQITRYZFLAECR-FRRDWIJNSA-N 2 0 239.363 -0.094 20 0 BBADRP C([C@@H]1CNCCO1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274084 412065542 /nfs/dbraw/zinc/06/55/42/412065542.db2.gz QYQITRYZFLAECR-XQQFMLRXSA-N 2 0 239.363 -0.094 20 0 BBADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC([NH3+])C1 ZINC000662274085 412066260 /nfs/dbraw/zinc/06/62/60/412066260.db2.gz QYYXUEDUEAVOCU-ILDUYXDCSA-N 3 0 225.336 -0.071 20 0 BBADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC([NH3+])C1 ZINC000662274086 412065691 /nfs/dbraw/zinc/06/56/91/412065691.db2.gz QYYXUEDUEAVOCU-VQXHTEKXSA-N 3 0 225.336 -0.071 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274474 412067282 /nfs/dbraw/zinc/06/72/82/412067282.db2.gz ITXLGYDQDYTCLG-QJPTWQEYSA-N 2 0 225.336 -0.341 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274476 412067617 /nfs/dbraw/zinc/06/76/17/412067617.db2.gz ITXLGYDQDYTCLG-SDDRHHMPSA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662275601 412067897 /nfs/dbraw/zinc/06/78/97/412067897.db2.gz CRVHHRFPDSVZGR-AXFHLTTASA-N 2 0 225.336 -0.071 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662275602 412067477 /nfs/dbraw/zinc/06/74/77/412067477.db2.gz CRVHHRFPDSVZGR-DCAQKATOSA-N 2 0 225.336 -0.071 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662276020 487529286 /nfs/dbraw/zinc/52/92/86/487529286.db2.gz IKAPXWUIFGVHNG-GRYCIOLGSA-N 2 0 225.336 -0.199 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662276022 487529136 /nfs/dbraw/zinc/52/91/36/487529136.db2.gz IKAPXWUIFGVHNG-TUAOUCFPSA-N 2 0 225.336 -0.199 20 0 BBADRP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000662276517 412068927 /nfs/dbraw/zinc/06/89/27/412068927.db2.gz JJVHJRADJLZQTN-GMTAPVOTSA-N 2 0 225.336 -0.214 20 0 BBADRP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000662276519 412069448 /nfs/dbraw/zinc/06/94/48/412069448.db2.gz JJVHJRADJLZQTN-OUAUKWLOSA-N 2 0 225.336 -0.214 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1NC[C@H]1C[NH2+]CCO1 ZINC000662276832 412068976 /nfs/dbraw/zinc/06/89/76/412068976.db2.gz LMYFIXWDBBKJIN-GHMZBOCLSA-N 2 0 227.352 -0.048 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1C[NH2+]CCO1 ZINC000662276833 412068782 /nfs/dbraw/zinc/06/87/82/412068782.db2.gz LMYFIXWDBBKJIN-MNOVXSKESA-N 2 0 227.352 -0.048 20 0 BBADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000662276834 412069683 /nfs/dbraw/zinc/06/96/83/412069683.db2.gz LMYFIXWDBBKJIN-QWRGUYRKSA-N 2 0 227.352 -0.048 20 0 BBADRP CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000662276835 412068653 /nfs/dbraw/zinc/06/86/53/412068653.db2.gz LMYFIXWDBBKJIN-WDEREUQCSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1C[NH2+]CCO1 ZINC000662276840 409589790 /nfs/dbraw/zinc/58/97/90/409589790.db2.gz LPWCZEHYGLFLIQ-DDHJBXDOSA-N 2 0 227.352 -0.049 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H]1C[NH2+]CCO1 ZINC000662276841 409590502 /nfs/dbraw/zinc/59/05/02/409590502.db2.gz LPWCZEHYGLFLIQ-KKOKHZNYSA-N 2 0 227.352 -0.049 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000662276842 409591252 /nfs/dbraw/zinc/59/12/52/409591252.db2.gz LPWCZEHYGLFLIQ-WISYIIOYSA-N 2 0 227.352 -0.049 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000662276843 409591627 /nfs/dbraw/zinc/59/16/27/409591627.db2.gz LPWCZEHYGLFLIQ-WYUUTHIRSA-N 2 0 227.352 -0.049 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC[C@H]1C[NH2+]CCO1 ZINC000662277628 412069950 /nfs/dbraw/zinc/06/99/50/412069950.db2.gz QWIDUWFSBPYHOM-NXEZZACHSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[NH2+]CCO1 ZINC000662277629 412068863 /nfs/dbraw/zinc/06/88/63/412068863.db2.gz QWIDUWFSBPYHOM-UWVGGRQHSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1C[NH2+]CCO1 ZINC000662277631 412069783 /nfs/dbraw/zinc/06/97/83/412069783.db2.gz QWIDUWFSBPYHOM-VHSXEESVSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC[C@H]1C[NH2+]CCO1 ZINC000662277632 412069058 /nfs/dbraw/zinc/06/90/58/412069058.db2.gz QWIDUWFSBPYHOM-ZJUUUORDSA-N 2 0 215.341 -0.062 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662277934 412071581 /nfs/dbraw/zinc/07/15/81/412071581.db2.gz YIBGUYJWIHZUHJ-GRYCIOLGSA-N 2 0 225.336 -0.341 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662277935 412071412 /nfs/dbraw/zinc/07/14/12/412071412.db2.gz YIBGUYJWIHZUHJ-SDDRHHMPSA-N 2 0 225.336 -0.341 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662277936 412071045 /nfs/dbraw/zinc/07/10/45/412071045.db2.gz YIBGUYJWIHZUHJ-SRVKXCTJSA-N 2 0 225.336 -0.341 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662277938 412071283 /nfs/dbraw/zinc/07/12/83/412071283.db2.gz YIBGUYJWIHZUHJ-WOPDTQHZSA-N 2 0 225.336 -0.341 20 0 BBADRP CC(C)C(=O)NCCN(C)C[C@H]1C[NH2+]CCO1 ZINC000662279503 412071460 /nfs/dbraw/zinc/07/14/60/412071460.db2.gz KRRSMHDSRUSPRA-LLVKDONJSA-N 2 0 243.351 -0.321 20 0 BBADRP CC(C)C(=O)NCCN(C)C[C@@H]1C[NH2+]CCO1 ZINC000662279504 412071428 /nfs/dbraw/zinc/07/14/28/412071428.db2.gz KRRSMHDSRUSPRA-NSHDSACASA-N 2 0 243.351 -0.321 20 0 BBADRP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)[C@@H](C)C[N@@H+]1C ZINC000662279705 412070765 /nfs/dbraw/zinc/07/07/65/412070765.db2.gz XCIPHZZZNOSYER-GRYCIOLGSA-N 2 0 227.352 -0.001 20 0 BBADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H]1C[NH2+]CCO1 ZINC000662279710 412071655 /nfs/dbraw/zinc/07/16/55/412071655.db2.gz XCIPHZZZNOSYER-IJLUTSLNSA-N 2 0 227.352 -0.001 20 0 BBADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H]1C[NH2+]CCO1 ZINC000662279711 412071321 /nfs/dbraw/zinc/07/13/21/412071321.db2.gz XCIPHZZZNOSYER-UTUOFQBUSA-N 2 0 227.352 -0.001 20 0 BBADRP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)[C@@H](C)C[N@@H+]1C ZINC000662279712 412071188 /nfs/dbraw/zinc/07/11/88/412071188.db2.gz XCIPHZZZNOSYER-WOPDTQHZSA-N 2 0 227.352 -0.001 20 0 BBADRP C[NH2+]CCCN(C)C[C@@H]1C[NH2+]CCO1 ZINC000662280614 412071231 /nfs/dbraw/zinc/07/12/31/412071231.db2.gz GGPKSZOWPAZWTF-JTQLQIEISA-N 2 0 201.314 -0.484 20 0 BBADRP C[NH2+]CCCN(C)C[C@H]1C[NH2+]CCO1 ZINC000662280615 412071664 /nfs/dbraw/zinc/07/16/64/412071664.db2.gz GGPKSZOWPAZWTF-SNVBAGLBSA-N 2 0 201.314 -0.484 20 0 BBADRP COC[C@@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)OC ZINC000662280963 412072283 /nfs/dbraw/zinc/07/22/83/412072283.db2.gz IYPDOGLUERRYNL-GHMZBOCLSA-N 2 0 232.324 -0.303 20 0 BBADRP COC[C@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)OC ZINC000662280964 412073243 /nfs/dbraw/zinc/07/32/43/412073243.db2.gz IYPDOGLUERRYNL-MNOVXSKESA-N 2 0 232.324 -0.303 20 0 BBADRP COC[C@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)OC ZINC000662280965 412072845 /nfs/dbraw/zinc/07/28/45/412072845.db2.gz IYPDOGLUERRYNL-QWRGUYRKSA-N 2 0 232.324 -0.303 20 0 BBADRP COC[C@@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)OC ZINC000662280966 412072569 /nfs/dbraw/zinc/07/25/69/412072569.db2.gz IYPDOGLUERRYNL-WDEREUQCSA-N 2 0 232.324 -0.303 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]2)CC1 ZINC000662282246 412073200 /nfs/dbraw/zinc/07/32/00/412073200.db2.gz DXJAQXSJUNHGQB-LLVKDONJSA-N 2 0 225.336 -0.197 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CCC2(CC[NH2+]2)CC1 ZINC000662282247 412072329 /nfs/dbraw/zinc/07/23/29/412072329.db2.gz DXJAQXSJUNHGQB-NSHDSACASA-N 2 0 225.336 -0.197 20 0 BBADRP CN1CCC[C@H]([NH+]2CCC(O)(C[NH3+])CC2)C1=O ZINC000662283071 412075257 /nfs/dbraw/zinc/07/52/57/412075257.db2.gz KHWGAQLLZVVTDU-JTQLQIEISA-N 2 0 241.335 -0.607 20 0 BBADRP CN1CCC[C@@H]([NH+]2CCC(O)(C[NH3+])CC2)C1=O ZINC000662283072 412074482 /nfs/dbraw/zinc/07/44/82/412074482.db2.gz KHWGAQLLZVVTDU-SNVBAGLBSA-N 2 0 241.335 -0.607 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1C[NH2+]CCO1 ZINC000662283274 409611674 /nfs/dbraw/zinc/61/16/74/409611674.db2.gz GTNCFTXDLNUUSR-GMTAPVOTSA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662283275 409611607 /nfs/dbraw/zinc/61/16/07/409611607.db2.gz GTNCFTXDLNUUSR-MXWKQRLJSA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1C[NH2+]CCO1 ZINC000662283276 409611389 /nfs/dbraw/zinc/61/13/89/409611389.db2.gz GTNCFTXDLNUUSR-OUAUKWLOSA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662283277 409611134 /nfs/dbraw/zinc/61/11/34/409611134.db2.gz GTNCFTXDLNUUSR-VWYCJHECSA-N 2 0 213.325 -0.214 20 0 BBADRP CCN1CC[C@H]([NH+]2CCC(O)(C[NH3+])CC2)C1=O ZINC000662283400 409611964 /nfs/dbraw/zinc/61/19/64/409611964.db2.gz NOANYYQKYQTLFQ-JTQLQIEISA-N 2 0 241.335 -0.607 20 0 BBADRP CCN1CC[C@@H]([NH+]2CCC(O)(C[NH3+])CC2)C1=O ZINC000662283401 409610763 /nfs/dbraw/zinc/61/07/63/409610763.db2.gz NOANYYQKYQTLFQ-SNVBAGLBSA-N 2 0 241.335 -0.607 20 0 BBADRP O[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662283678 412074753 /nfs/dbraw/zinc/07/47/53/412074753.db2.gz JGQXBEOUVPQNBC-GHMZBOCLSA-N 2 0 226.320 -0.036 20 0 BBADRP O[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662283679 412074735 /nfs/dbraw/zinc/07/47/35/412074735.db2.gz JGQXBEOUVPQNBC-MNOVXSKESA-N 2 0 226.320 -0.036 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1C[NH2+]CCO1 ZINC000662284259 409615636 /nfs/dbraw/zinc/61/56/36/409615636.db2.gz UVHMFYPFZBVAMS-GMTAPVOTSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000662284265 409615087 /nfs/dbraw/zinc/61/50/87/409615087.db2.gz UVHMFYPFZBVAMS-HBNTYKKESA-N 2 0 213.325 -0.166 20 0 BBADRP CCO[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284431 412074945 /nfs/dbraw/zinc/07/49/45/412074945.db2.gz HODFLQKZWGHWRJ-GRYCIOLGSA-N 2 0 243.351 -0.730 20 0 BBADRP CCO[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284433 412075564 /nfs/dbraw/zinc/07/55/64/412075564.db2.gz HODFLQKZWGHWRJ-IJLUTSLNSA-N 2 0 243.351 -0.730 20 0 BBADRP C[C@@H]1CCN(C[C@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662284455 412074418 /nfs/dbraw/zinc/07/44/18/412074418.db2.gz YIHOLPLNXUOZGV-GRYCIOLGSA-N 2 0 227.352 -0.109 20 0 BBADRP C[C@@H]1CCN(C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284456 412074824 /nfs/dbraw/zinc/07/48/24/412074824.db2.gz YIHOLPLNXUOZGV-IJLUTSLNSA-N 2 0 227.352 -0.109 20 0 BBADRP C[C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000662284457 412075946 /nfs/dbraw/zinc/07/59/46/412075946.db2.gz YIHOLPLNXUOZGV-UTUOFQBUSA-N 2 0 227.352 -0.109 20 0 BBADRP C[C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)C[C@@H]1C[NH3+] ZINC000662284458 412075416 /nfs/dbraw/zinc/07/54/16/412075416.db2.gz YIHOLPLNXUOZGV-WOPDTQHZSA-N 2 0 227.352 -0.109 20 0 BBADRP C[C@H](O)C[N@H+](C[C@H]1CNCCO1)C1CC1 ZINC000662284841 409618920 /nfs/dbraw/zinc/61/89/20/409618920.db2.gz PYTHXUZADDCTLA-GXSJLCMTSA-N 2 0 214.309 -0.180 20 0 BBADRP C[C@@H](O)C[N@H+](C[C@@H]1CNCCO1)C1CC1 ZINC000662284843 409619257 /nfs/dbraw/zinc/61/92/57/409619257.db2.gz PYTHXUZADDCTLA-KOLCDFICSA-N 2 0 214.309 -0.180 20 0 BBADRP C[C@@H](O)C[N@H+](C[C@H]1CNCCO1)C1CC1 ZINC000662284845 409618410 /nfs/dbraw/zinc/61/84/10/409618410.db2.gz PYTHXUZADDCTLA-MWLCHTKSSA-N 2 0 214.309 -0.180 20 0 BBADRP C[C@H](O)C[N@H+](C[C@@H]1CNCCO1)C1CC1 ZINC000662284847 409618636 /nfs/dbraw/zinc/61/86/36/409618636.db2.gz PYTHXUZADDCTLA-ONGXEEELSA-N 2 0 214.309 -0.180 20 0 BBADRP Cc1cnn(CC[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662284974 412077452 /nfs/dbraw/zinc/07/74/52/412077452.db2.gz SOHVHAMBZJUJBQ-UHFFFAOYSA-N 2 0 238.335 -0.104 20 0 BBADRP COCCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285044 412077376 /nfs/dbraw/zinc/07/73/76/412077376.db2.gz VFJQWWNJIRKETK-UHFFFAOYSA-N 2 0 202.298 -0.273 20 0 BBADRP O[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285303 412076758 /nfs/dbraw/zinc/07/67/58/412076758.db2.gz JGQXBEOUVPQNBC-QWRGUYRKSA-N 2 0 226.320 -0.036 20 0 BBADRP O[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285304 412078313 /nfs/dbraw/zinc/07/83/13/412078313.db2.gz JGQXBEOUVPQNBC-WDEREUQCSA-N 2 0 226.320 -0.036 20 0 BBADRP CC(=O)NCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662286211 412077409 /nfs/dbraw/zinc/07/74/09/412077409.db2.gz PPWGVOCYMGQVTH-LLVKDONJSA-N 2 0 241.335 -0.425 20 0 BBADRP CC(=O)NCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662286212 409619150 /nfs/dbraw/zinc/61/91/50/409619150.db2.gz PPWGVOCYMGQVTH-NSHDSACASA-N 2 0 241.335 -0.425 20 0 BBADRP CCO[C@@H]1C[N@H+](C[C@@H](COC)OC)C[C@H]1C[NH3+] ZINC000662286618 412077158 /nfs/dbraw/zinc/07/71/58/412077158.db2.gz SEVOAPHCFYWOIN-GRYCIOLGSA-N 2 0 246.351 -0.057 20 0 BBADRP CCO[C@@H]1C[N@H+](C[C@H](COC)OC)C[C@H]1C[NH3+] ZINC000662286619 412078640 /nfs/dbraw/zinc/07/86/40/412078640.db2.gz SEVOAPHCFYWOIN-IJLUTSLNSA-N 2 0 246.351 -0.057 20 0 BBADRP OCC1([NH2+]CCn2cccn2)CC[NH2+]CC1 ZINC000662287367 412080440 /nfs/dbraw/zinc/08/04/40/412080440.db2.gz YQNNHFVQIQLADP-UHFFFAOYSA-N 2 0 224.308 -0.413 20 0 BBADRP CN(C[C@H]1C[NH2+]CCO1)CC(C)(C)[NH3+] ZINC000662292927 412081683 /nfs/dbraw/zinc/08/16/83/412081683.db2.gz CAKXIQLYQRTHKQ-SECBINFHSA-N 2 0 201.314 -0.356 20 0 BBADRP CN(C[C@@H]1C[NH2+]CCO1)CC(C)(C)[NH3+] ZINC000662292928 412082338 /nfs/dbraw/zinc/08/23/38/412082338.db2.gz CAKXIQLYQRTHKQ-VIFPVBQESA-N 2 0 201.314 -0.356 20 0 BBADRP C[NH2+]C[C@](C)(O)CN(C)CC(C)(C)[NH3+] ZINC000662293635 412081202 /nfs/dbraw/zinc/08/12/02/412081202.db2.gz GXYBIPGOJSSSEP-JTQLQIEISA-N 2 0 203.330 -0.374 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN(C)CC(C)(C)[NH3+] ZINC000662293636 412081957 /nfs/dbraw/zinc/08/19/57/412081957.db2.gz GXYBIPGOJSSSEP-SNVBAGLBSA-N 2 0 203.330 -0.374 20 0 BBADRP CN(CCC(=O)N1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000662295300 412085218 /nfs/dbraw/zinc/08/52/18/412085218.db2.gz PKELIVVUIAITIY-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662295508 487542741 /nfs/dbraw/zinc/54/27/41/487542741.db2.gz LYLSPNGUXLEINV-LLVKDONJSA-N 2 0 239.323 -0.425 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662295509 487542731 /nfs/dbraw/zinc/54/27/31/487542731.db2.gz LYLSPNGUXLEINV-NSHDSACASA-N 2 0 239.323 -0.425 20 0 BBADRP [NH3+]CC12CC(C1)CN2CCn1cncn1 ZINC000662304626 412088171 /nfs/dbraw/zinc/08/81/71/412088171.db2.gz SBPRMXWSHJVFLM-UHFFFAOYSA-N 2 0 207.281 -0.299 20 0 BBADRP [NH3+]CC12CC(C1)CN2CCN1CC[NH2+]CC1 ZINC000662304677 412089653 /nfs/dbraw/zinc/08/96/53/412089653.db2.gz UKSQGDWBKZKVLA-UHFFFAOYSA-N 3 0 224.352 -0.685 20 0 BBADRP CNS(=O)(=O)CCCN1CC2CC1(C[NH3+])C2 ZINC000662304697 412089402 /nfs/dbraw/zinc/08/94/02/412089402.db2.gz VFIFUCPWCFTPMK-UHFFFAOYSA-N 2 0 247.364 -0.651 20 0 BBADRP [NH3+]CC12CC(C1)CN2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662304868 412090260 /nfs/dbraw/zinc/09/02/60/412090260.db2.gz CPJGJJHIHHAQEZ-CXQJBGSLSA-N 2 0 237.347 -0.070 20 0 BBADRP [NH3+]CC12CC(C1)CN2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662304872 412090407 /nfs/dbraw/zinc/09/04/07/412090407.db2.gz CPJGJJHIHHAQEZ-MOENNCHZSA-N 2 0 237.347 -0.070 20 0 BBADRP [NH3+]CC12CC(C1)CN2C[C@H]1C[NH2+]CCO1 ZINC000662304918 412091287 /nfs/dbraw/zinc/09/12/87/412091287.db2.gz DKOWUECQIWBLMS-HSOILSAZSA-N 2 0 211.309 -0.602 20 0 BBADRP [NH3+]CC12CC(C1)CN2C[C@@H]1C[NH2+]CCO1 ZINC000662304919 412091972 /nfs/dbraw/zinc/09/19/72/412091972.db2.gz DKOWUECQIWBLMS-YVNMAJEFSA-N 2 0 211.309 -0.602 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@H]1COCCO1 ZINC000662305320 412090590 /nfs/dbraw/zinc/09/05/90/412090590.db2.gz FDJTUVWNNADEPE-JTQLQIEISA-N 2 0 218.297 -0.691 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1COCCO1 ZINC000662305321 412091889 /nfs/dbraw/zinc/09/18/89/412091889.db2.gz FDJTUVWNNADEPE-SNVBAGLBSA-N 2 0 218.297 -0.691 20 0 BBADRP [NH3+]CCC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000662305598 412091860 /nfs/dbraw/zinc/09/18/60/412091860.db2.gz KTSKQTUNEJKETH-JTQLQIEISA-N 2 0 226.324 -0.175 20 0 BBADRP [NH3+]CCC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000662305599 412090574 /nfs/dbraw/zinc/09/05/74/412090574.db2.gz KTSKQTUNEJKETH-SNVBAGLBSA-N 2 0 226.324 -0.175 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1COCCO1 ZINC000662305636 412091911 /nfs/dbraw/zinc/09/19/11/412091911.db2.gz IYIGDQHNOZAISM-GFCCVEGCSA-N 2 0 243.351 -0.761 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1COCCO1 ZINC000662305637 412090984 /nfs/dbraw/zinc/09/09/84/412090984.db2.gz IYIGDQHNOZAISM-LBPRGKRZSA-N 2 0 243.351 -0.761 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC2CC1(C[NH3+])C2 ZINC000662306173 412091655 /nfs/dbraw/zinc/09/16/55/412091655.db2.gz OYZWSFUAFBJLRU-HSOILSAZSA-N 2 0 213.325 -0.620 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC2CC1(C[NH3+])C2 ZINC000662306174 412091558 /nfs/dbraw/zinc/09/15/58/412091558.db2.gz OYZWSFUAFBJLRU-YVNMAJEFSA-N 2 0 213.325 -0.620 20 0 BBADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662306950 412092472 /nfs/dbraw/zinc/09/24/72/412092472.db2.gz SVQNYQIFPGZEGL-GHMZBOCLSA-N 2 0 214.309 -0.057 20 0 BBADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1COCCO1 ZINC000662306952 412093155 /nfs/dbraw/zinc/09/31/55/412093155.db2.gz SVQNYQIFPGZEGL-MNOVXSKESA-N 2 0 214.309 -0.057 20 0 BBADRP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@H]1COCCO1 ZINC000662306954 412092788 /nfs/dbraw/zinc/09/27/88/412092788.db2.gz SVQNYQIFPGZEGL-QWRGUYRKSA-N 2 0 214.309 -0.057 20 0 BBADRP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662306955 412092688 /nfs/dbraw/zinc/09/26/88/412092688.db2.gz SVQNYQIFPGZEGL-WDEREUQCSA-N 2 0 214.309 -0.057 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN(C)C[C@@H]1COCCO1 ZINC000662307634 412092397 /nfs/dbraw/zinc/09/23/97/412092397.db2.gz XVXMNVLBFOSVMC-GHMZBOCLSA-N 2 0 232.324 -0.696 20 0 BBADRP C[NH2+]C[C@](C)(O)CN(C)C[C@@H]1COCCO1 ZINC000662307636 412092918 /nfs/dbraw/zinc/09/29/18/412092918.db2.gz XVXMNVLBFOSVMC-MNOVXSKESA-N 2 0 232.324 -0.696 20 0 BBADRP C[NH2+]C[C@](C)(O)CN(C)C[C@H]1COCCO1 ZINC000662307639 412093135 /nfs/dbraw/zinc/09/31/35/412093135.db2.gz XVXMNVLBFOSVMC-QWRGUYRKSA-N 2 0 232.324 -0.696 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN(C)C[C@H]1COCCO1 ZINC000662307640 412093149 /nfs/dbraw/zinc/09/31/49/412093149.db2.gz XVXMNVLBFOSVMC-WDEREUQCSA-N 2 0 232.324 -0.696 20 0 BBADRP [NH3+]CC12CC(C1)CN2CCN1C(=O)CCC1=O ZINC000662307847 412092776 /nfs/dbraw/zinc/09/27/76/412092776.db2.gz ROODHDDEDZRJDV-UHFFFAOYSA-N 2 0 237.303 -0.442 20 0 BBADRP C[C@@]12COC[C@H]1C[N@H+](CCOCC[NH3+])C2 ZINC000662310489 412094519 /nfs/dbraw/zinc/09/45/19/412094519.db2.gz LENUTCBRZCZWTD-GHMZBOCLSA-N 2 0 214.309 -0.070 20 0 BBADRP C[C@]12COC[C@H]1C[N@H+](CCOCC[NH3+])C2 ZINC000662310490 412094477 /nfs/dbraw/zinc/09/44/77/412094477.db2.gz LENUTCBRZCZWTD-MNOVXSKESA-N 2 0 214.309 -0.070 20 0 BBADRP C[C@]12COC[C@@H]1C[N@H+](CCOCC[NH3+])C2 ZINC000662310591 412094135 /nfs/dbraw/zinc/09/41/35/412094135.db2.gz LENUTCBRZCZWTD-QWRGUYRKSA-N 2 0 214.309 -0.070 20 0 BBADRP C[C@@]12COC[C@@H]1C[N@H+](CCOCC[NH3+])C2 ZINC000662310592 412093992 /nfs/dbraw/zinc/09/39/92/412093992.db2.gz LENUTCBRZCZWTD-WDEREUQCSA-N 2 0 214.309 -0.070 20 0 BBADRP C[C@@]12COC[C@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000662310905 412094957 /nfs/dbraw/zinc/09/49/57/412094957.db2.gz PBHYOURYVGREFB-CHWSQXEVSA-N 2 0 239.363 -0.140 20 0 BBADRP C[C@]12COC[C@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000662310907 412094109 /nfs/dbraw/zinc/09/41/09/412094109.db2.gz PBHYOURYVGREFB-OLZOCXBDSA-N 2 0 239.363 -0.140 20 0 BBADRP C[C@@]12COC[C@@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000662310908 412093766 /nfs/dbraw/zinc/09/37/66/412093766.db2.gz PBHYOURYVGREFB-QWHCGFSZSA-N 2 0 239.363 -0.140 20 0 BBADRP C[C@]12COC[C@@H]1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000662310991 412094874 /nfs/dbraw/zinc/09/48/74/412094874.db2.gz PBHYOURYVGREFB-STQMWFEESA-N 2 0 239.363 -0.140 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000662311619 412091137 /nfs/dbraw/zinc/09/11/37/412091137.db2.gz UYHFEARBZHZMLY-SRVKXCTJSA-N 2 0 228.336 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000662311620 412091939 /nfs/dbraw/zinc/09/19/39/412091939.db2.gz UYHFEARBZHZMLY-TUAOUCFPSA-N 2 0 228.336 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000662311621 412091444 /nfs/dbraw/zinc/09/14/44/412091444.db2.gz UYHFEARBZHZMLY-UTUOFQBUSA-N 2 0 228.336 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000662311622 412090880 /nfs/dbraw/zinc/09/08/80/412090880.db2.gz UYHFEARBZHZMLY-WOPDTQHZSA-N 2 0 228.336 -0.075 20 0 BBADRP CN1CC[N@H+](CCOCC[NH3+])CCC1=O ZINC000662311771 412094423 /nfs/dbraw/zinc/09/44/23/412094423.db2.gz DXAJSJVYFCVBIF-UHFFFAOYSA-N 2 0 215.297 -0.874 20 0 BBADRP C[C@@H]1CCN(CCN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000662314333 412096112 /nfs/dbraw/zinc/09/61/12/412096112.db2.gz FFWMTIYFZGZBAX-OLZOCXBDSA-N 2 0 240.395 -0.049 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662314717 409634644 /nfs/dbraw/zinc/63/46/44/409634644.db2.gz BEFGCMIUOHKAII-SRVKXCTJSA-N 2 0 228.336 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662314718 409634715 /nfs/dbraw/zinc/63/47/15/409634715.db2.gz BEFGCMIUOHKAII-TUAOUCFPSA-N 2 0 228.336 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662314719 409635028 /nfs/dbraw/zinc/63/50/28/409635028.db2.gz BEFGCMIUOHKAII-UTUOFQBUSA-N 2 0 228.336 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662314720 409634676 /nfs/dbraw/zinc/63/46/76/409634676.db2.gz BEFGCMIUOHKAII-WOPDTQHZSA-N 2 0 228.336 -0.075 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000662315082 412096604 /nfs/dbraw/zinc/09/66/04/412096604.db2.gz LFUNAHJXPZUUSR-GHMZBOCLSA-N 2 0 229.324 -0.846 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000662315100 412096658 /nfs/dbraw/zinc/09/66/58/412096658.db2.gz LFUNAHJXPZUUSR-MNOVXSKESA-N 2 0 229.324 -0.846 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000662315103 412096810 /nfs/dbraw/zinc/09/68/10/412096810.db2.gz LFUNAHJXPZUUSR-QWRGUYRKSA-N 2 0 229.324 -0.846 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000662315106 412095915 /nfs/dbraw/zinc/09/59/15/412095915.db2.gz LFUNAHJXPZUUSR-WDEREUQCSA-N 2 0 229.324 -0.846 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662317412 409636522 /nfs/dbraw/zinc/63/65/22/409636522.db2.gz ORQVLQQDNHUWPI-GHMZBOCLSA-N 2 0 214.309 -0.070 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662317413 409636174 /nfs/dbraw/zinc/63/61/74/409636174.db2.gz ORQVLQQDNHUWPI-MNOVXSKESA-N 2 0 214.309 -0.070 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662317414 409636191 /nfs/dbraw/zinc/63/61/91/409636191.db2.gz ORQVLQQDNHUWPI-QWRGUYRKSA-N 2 0 214.309 -0.070 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662317415 409637252 /nfs/dbraw/zinc/63/72/52/409637252.db2.gz ORQVLQQDNHUWPI-WDEREUQCSA-N 2 0 214.309 -0.070 20 0 BBADRP C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662318269 409636389 /nfs/dbraw/zinc/63/63/89/409636389.db2.gz YMARYZLCWMMOOL-CHWSQXEVSA-N 2 0 239.363 -0.140 20 0 BBADRP C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662318272 409637123 /nfs/dbraw/zinc/63/71/23/409637123.db2.gz YMARYZLCWMMOOL-OLZOCXBDSA-N 2 0 239.363 -0.140 20 0 BBADRP C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662318275 409637188 /nfs/dbraw/zinc/63/71/88/409637188.db2.gz YMARYZLCWMMOOL-QWHCGFSZSA-N 2 0 239.363 -0.140 20 0 BBADRP C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662318276 409636225 /nfs/dbraw/zinc/63/62/25/409636225.db2.gz YMARYZLCWMMOOL-STQMWFEESA-N 2 0 239.363 -0.140 20 0 BBADRP [NH3+][C@@H]1CN(CCN2CC[NH2+]CC2)CC[C@H]1F ZINC000662321748 412100947 /nfs/dbraw/zinc/10/09/47/412100947.db2.gz CXNJNDNUKHUSAM-GHMZBOCLSA-N 2 0 230.331 -0.737 20 0 BBADRP [NH3+][C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662322141 412100671 /nfs/dbraw/zinc/10/06/71/412100671.db2.gz LCZNEYFTYMQZBM-IVZWLZJFSA-N 2 0 201.289 -0.033 20 0 BBADRP [NH3+][C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662322175 412099611 /nfs/dbraw/zinc/09/96/11/412099611.db2.gz LCZNEYFTYMQZBM-OPRDCNLKSA-N 2 0 201.289 -0.033 20 0 BBADRP [NH3+]CCOCCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662323980 409639728 /nfs/dbraw/zinc/63/97/28/409639728.db2.gz RRIJRKFDFKNZEX-RKDXNWHRSA-N 2 0 205.277 -0.667 20 0 BBADRP [NH3+][C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1F ZINC000662325312 412103184 /nfs/dbraw/zinc/10/31/84/412103184.db2.gz DRAPOFGXQFUONQ-GMTAPVOTSA-N 2 0 243.326 -0.122 20 0 BBADRP [NH3+][C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1F ZINC000662325315 412103797 /nfs/dbraw/zinc/10/37/97/412103797.db2.gz DRAPOFGXQFUONQ-HBNTYKKESA-N 2 0 243.326 -0.122 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662326300 412102200 /nfs/dbraw/zinc/10/22/00/412102200.db2.gz QUJAHAWZAXXRTO-BBBLOLIVSA-N 2 0 219.304 -0.672 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662326301 412102996 /nfs/dbraw/zinc/10/29/96/412102996.db2.gz QUJAHAWZAXXRTO-OPRDCNLKSA-N 2 0 219.304 -0.672 20 0 BBADRP [NH3+][C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000662326310 412103953 /nfs/dbraw/zinc/10/39/53/412103953.db2.gz RBCHGSBWILPDFR-IVZWLZJFSA-N 2 0 217.288 -0.654 20 0 BBADRP [NH3+][C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000662326311 412102649 /nfs/dbraw/zinc/10/26/49/412102649.db2.gz RBCHGSBWILPDFR-OPRDCNLKSA-N 2 0 217.288 -0.654 20 0 BBADRP C[NH+](C)CCC[C@@H]1CN(CC[NH3+])CCO1 ZINC000662326745 412104506 /nfs/dbraw/zinc/10/45/06/412104506.db2.gz BDIOFVANGFOAGP-LLVKDONJSA-N 2 0 215.341 -0.012 20 0 BBADRP C[NH+](C)CCC[C@H]1CN(CC[NH3+])CCO1 ZINC000662326746 412105259 /nfs/dbraw/zinc/10/52/59/412105259.db2.gz BDIOFVANGFOAGP-NSHDSACASA-N 2 0 215.341 -0.012 20 0 BBADRP CN(C[C@H]1C[NH2+]CCO1)[C@H](C[NH3+])C(F)(F)F ZINC000662332031 409647445 /nfs/dbraw/zinc/64/74/45/409647445.db2.gz SGSCUULVTYAMEW-HTQZYQBOSA-N 2 0 241.257 -0.204 20 0 BBADRP CN(C[C@@H]1C[NH2+]CCO1)[C@H](C[NH3+])C(F)(F)F ZINC000662332037 409648599 /nfs/dbraw/zinc/64/85/99/409648599.db2.gz SGSCUULVTYAMEW-JGVFFNPUSA-N 2 0 241.257 -0.204 20 0 BBADRP CN(C[C@H]1C[NH2+]CCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000662332038 409648750 /nfs/dbraw/zinc/64/87/50/409648750.db2.gz SGSCUULVTYAMEW-SFYZADRCSA-N 2 0 241.257 -0.204 20 0 BBADRP CN(C[C@@H]1C[NH2+]CCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000662332039 409648568 /nfs/dbraw/zinc/64/85/68/409648568.db2.gz SGSCUULVTYAMEW-YUMQZZPRSA-N 2 0 241.257 -0.204 20 0 BBADRP CN(CCOCC[NH3+])[C@H](C[NH3+])C(F)(F)F ZINC000662333641 412106122 /nfs/dbraw/zinc/10/61/22/412106122.db2.gz ZHLYRBHVSPDIJK-SSDOTTSWSA-N 2 0 229.246 -0.217 20 0 BBADRP CN(CCOCC[NH3+])[C@@H](C[NH3+])C(F)(F)F ZINC000662333648 412105963 /nfs/dbraw/zinc/10/59/63/412105963.db2.gz ZHLYRBHVSPDIJK-ZETCQYMHSA-N 2 0 229.246 -0.217 20 0 BBADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000662341018 412110113 /nfs/dbraw/zinc/11/01/13/412110113.db2.gz KMBIJMRBKHQXJD-SECBINFHSA-N 2 0 249.318 -0.468 20 0 BBADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000662341019 412109598 /nfs/dbraw/zinc/10/95/98/412109598.db2.gz KMBIJMRBKHQXJD-VIFPVBQESA-N 2 0 249.318 -0.468 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000662341655 412110008 /nfs/dbraw/zinc/11/00/08/412110008.db2.gz RRLOBSZHHHMJTK-VIFPVBQESA-N 2 0 215.297 -0.830 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000662356599 409670040 /nfs/dbraw/zinc/67/00/40/409670040.db2.gz OQDOOWMJMOJWEA-NSHDSACASA-N 2 0 243.351 -0.051 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000662389067 409689664 /nfs/dbraw/zinc/68/96/64/409689664.db2.gz ADQAXFGGFSWGCD-LLVKDONJSA-N 2 0 242.367 -0.604 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000662389075 409689204 /nfs/dbraw/zinc/68/92/04/409689204.db2.gz ADQAXFGGFSWGCD-NSHDSACASA-N 2 0 242.367 -0.604 20 0 BBADRP [NH3+]CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662389078 412140125 /nfs/dbraw/zinc/14/01/25/412140125.db2.gz CAKUJRRFTQOFRO-UHFFFAOYSA-N 2 0 238.291 -0.170 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000662389470 412141644 /nfs/dbraw/zinc/14/16/44/412141644.db2.gz DLOKFMLJUPSCTN-XYPYZODXSA-N 2 0 240.351 -0.865 20 0 BBADRP CC(C)[NH2+]CC(=O)NCCCN1CC[NH2+]CC1 ZINC000662390548 412142050 /nfs/dbraw/zinc/14/20/50/412142050.db2.gz MDQPXQULSXOPSK-UHFFFAOYSA-N 2 0 242.367 -0.604 20 0 BBADRP [NH3+]CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662390584 412142208 /nfs/dbraw/zinc/14/22/08/412142208.db2.gz NJWMJHCPHMIKTR-UHFFFAOYSA-N 2 0 205.261 -0.022 20 0 BBADRP [NH3+]C1(CC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000662391135 412141334 /nfs/dbraw/zinc/14/13/34/412141334.db2.gz SEWFVKFJDYRCGM-UHFFFAOYSA-N 2 0 240.351 -0.721 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000662392505 412143498 /nfs/dbraw/zinc/14/34/98/412143498.db2.gz ILLYSAARQQRDIO-SECBINFHSA-N 2 0 211.309 -0.194 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[NH2+]CC1 ZINC000662392506 412142901 /nfs/dbraw/zinc/14/29/01/412142901.db2.gz ILLYSAARQQRDIO-VIFPVBQESA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+]C1(CNC(=O)C2(O)C[NH2+]C2)CCCCC1 ZINC000662392723 412143043 /nfs/dbraw/zinc/14/30/43/412143043.db2.gz GUFKJKMKONKZRP-UHFFFAOYSA-N 2 0 227.308 -0.902 20 0 BBADRP [NH3+]Cc1cccc(NC(=O)C2(O)C[NH2+]C2)c1 ZINC000662393230 412143471 /nfs/dbraw/zinc/14/34/71/412143471.db2.gz RMMVIMXNQQOWIS-UHFFFAOYSA-N 2 0 221.260 -0.582 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH3+] ZINC000662393380 412142849 /nfs/dbraw/zinc/14/28/49/412142849.db2.gz FKOXWFXXCZMJAT-QMMMGPOBSA-N 2 0 203.286 -0.796 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000662393751 412143519 /nfs/dbraw/zinc/14/35/19/412143519.db2.gz IZCNKZADHLBACP-BDAKNGLRSA-N 2 0 215.297 -0.702 20 0 BBADRP CC(C)([NH3+])c1cc(C(=O)NCCC[NH3+])on1 ZINC000662393909 412144175 /nfs/dbraw/zinc/14/41/75/412144175.db2.gz LNVZLBXGYCVMLF-UHFFFAOYSA-N 2 0 226.280 -0.053 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000662394034 635172526 /nfs/dbraw/zinc/17/25/26/635172526.db2.gz MWIPUVZTPQQYLE-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000662394351 412144320 /nfs/dbraw/zinc/14/43/20/412144320.db2.gz FQBMUHLILCVLOA-NSHDSACASA-N 2 0 243.351 -0.064 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000662395104 412144950 /nfs/dbraw/zinc/14/49/50/412144950.db2.gz JCURGMMJSBKLQQ-MGCOHNPYSA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000662395703 412145442 /nfs/dbraw/zinc/14/54/42/412145442.db2.gz JYHHHSUNUNSQIZ-JTQLQIEISA-N 2 0 229.324 -0.439 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000662396321 412145890 /nfs/dbraw/zinc/14/58/90/412145890.db2.gz WQZLXGRLFIOTAW-UWVGGRQHSA-N 2 0 229.324 -0.393 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000662396322 412145501 /nfs/dbraw/zinc/14/55/01/412145501.db2.gz WQZLXGRLFIOTAW-ZJUUUORDSA-N 2 0 229.324 -0.393 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662396333 412146417 /nfs/dbraw/zinc/14/64/17/412146417.db2.gz UWGUWAHYCDFPEI-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000662396357 412145572 /nfs/dbraw/zinc/14/55/72/412145572.db2.gz XCJQBZMVVFLIIR-AEJSXWLSSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000662396361 412145899 /nfs/dbraw/zinc/14/58/99/412145899.db2.gz XCJQBZMVVFLIIR-BBBLOLIVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000662396363 412145585 /nfs/dbraw/zinc/14/55/85/412145585.db2.gz XCJQBZMVVFLIIR-GUBZILKMSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000662396365 412145593 /nfs/dbraw/zinc/14/55/93/412145593.db2.gz XCJQBZMVVFLIIR-UTLUCORTSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C1(CC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000662397438 412122738 /nfs/dbraw/zinc/12/27/38/412122738.db2.gz FKEKOVROIJVQCD-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]C1(CNC(=O)C2(O)C[NH2+]C2)CCCCCC1 ZINC000662397457 412147805 /nfs/dbraw/zinc/14/78/05/412147805.db2.gz DYGBLOJYKJCSTG-UHFFFAOYSA-N 2 0 241.335 -0.511 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662398087 412147177 /nfs/dbraw/zinc/14/71/77/412147177.db2.gz OCTCWNMLQUUPNY-VIFPVBQESA-N 2 0 217.313 -0.536 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662398798 412147856 /nfs/dbraw/zinc/14/78/56/412147856.db2.gz CLNXJYRUQSDZLT-JTQLQIEISA-N 2 0 231.340 -0.146 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000662399225 412147443 /nfs/dbraw/zinc/14/74/43/412147443.db2.gz PYHITMMBMDXYKU-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000662399226 412147495 /nfs/dbraw/zinc/14/74/95/412147495.db2.gz PYHITMMBMDXYKU-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH2+]Cc1cccc(NC(=O)C2(O)C[NH2+]C2)c1 ZINC000662399767 412149256 /nfs/dbraw/zinc/14/92/56/412149256.db2.gz TYCSTTYOJCXFOK-UHFFFAOYSA-N 2 0 235.287 -0.321 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662399991 412148625 /nfs/dbraw/zinc/14/86/25/412148625.db2.gz XZVSJZHDIOAROT-NXEZZACHSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662399992 412149407 /nfs/dbraw/zinc/14/94/07/412149407.db2.gz XZVSJZHDIOAROT-UWVGGRQHSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662399993 412149351 /nfs/dbraw/zinc/14/93/51/412149351.db2.gz XZVSJZHDIOAROT-VHSXEESVSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662399995 412148589 /nfs/dbraw/zinc/14/85/89/412148589.db2.gz XZVSJZHDIOAROT-ZJUUUORDSA-N 2 0 229.324 -0.534 20 0 BBADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000662400183 412149115 /nfs/dbraw/zinc/14/91/15/412149115.db2.gz LWMBTNGXJIUCKN-KYZUINATSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)[NH2+]CC(=O)NCCN1CC[NH2+]CC1 ZINC000662400462 491099699 /nfs/dbraw/zinc/09/96/99/491099699.db2.gz YJSNUXOMLAKAAH-UHFFFAOYSA-N 2 0 228.340 -0.994 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000662400495 412148861 /nfs/dbraw/zinc/14/88/61/412148861.db2.gz ZQINKWXPACXNFI-NSHDSACASA-N 2 0 243.351 -0.051 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000662400663 412149141 /nfs/dbraw/zinc/14/91/41/412149141.db2.gz DHDBZALOXNCKPA-DTWKUNHWSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000662400664 412148572 /nfs/dbraw/zinc/14/85/72/412148572.db2.gz DHDBZALOXNCKPA-IUCAKERBSA-N 2 0 211.309 -0.147 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000662401020 412149458 /nfs/dbraw/zinc/14/94/58/412149458.db2.gz KUMVJTTUMMIMAD-MNOVXSKESA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000662401021 412148716 /nfs/dbraw/zinc/14/87/16/412148716.db2.gz KUMVJTTUMMIMAD-QWRGUYRKSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NCCN1CC[NH2+]CC1 ZINC000662401129 412148975 /nfs/dbraw/zinc/14/89/75/412148975.db2.gz MPOQGDZKWQVGOA-JTQLQIEISA-N 2 0 228.340 -0.994 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NCCN1CC[NH2+]CC1 ZINC000662401130 412149417 /nfs/dbraw/zinc/14/94/17/412149417.db2.gz MPOQGDZKWQVGOA-SNVBAGLBSA-N 2 0 228.340 -0.994 20 0 BBADRP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CC[NH2+]C2)on1 ZINC000662401405 412148505 /nfs/dbraw/zinc/14/85/05/412148505.db2.gz ULDJAKXBUDWXGQ-ZETCQYMHSA-N 2 0 238.291 -0.040 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000662402562 412147283 /nfs/dbraw/zinc/14/72/83/412147283.db2.gz BYAJHKIZYULEPF-UWVGGRQHSA-N 2 0 229.324 -0.441 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000662402563 412147929 /nfs/dbraw/zinc/14/79/29/412147929.db2.gz BYAJHKIZYULEPF-ZJUUUORDSA-N 2 0 229.324 -0.441 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000662402593 412150812 /nfs/dbraw/zinc/15/08/12/412150812.db2.gz LEAPPVRJTHEMIP-GUBZILKMSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000662402594 412150401 /nfs/dbraw/zinc/15/04/01/412150401.db2.gz LEAPPVRJTHEMIP-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000662403671 409699748 /nfs/dbraw/zinc/69/97/48/409699748.db2.gz XOYIGEULPUDIHW-AXFHLTTASA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000662403672 409699178 /nfs/dbraw/zinc/69/91/78/409699178.db2.gz XOYIGEULPUDIHW-DCAQKATOSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000662403676 409699006 /nfs/dbraw/zinc/69/90/06/409699006.db2.gz XOYIGEULPUDIHW-MXWKQRLJSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000662403681 409699603 /nfs/dbraw/zinc/69/96/03/409699603.db2.gz XOYIGEULPUDIHW-VWYCJHECSA-N 2 0 241.335 -0.392 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000662403780 412150606 /nfs/dbraw/zinc/15/06/06/412150606.db2.gz IZCNKZADHLBACP-IUCAKERBSA-N 2 0 215.297 -0.702 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000662404260 412150326 /nfs/dbraw/zinc/15/03/26/412150326.db2.gz MWIPUVZTPQQYLE-DTWKUNHWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000662404261 412150620 /nfs/dbraw/zinc/15/06/20/412150620.db2.gz MWIPUVZTPQQYLE-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]C1(CC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000662404892 412151803 /nfs/dbraw/zinc/15/18/03/412151803.db2.gz JYGRXYUNYSYWAY-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]C1(CC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000662404893 412151942 /nfs/dbraw/zinc/15/19/42/412151942.db2.gz JYGRXYUNYSYWAY-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662405903 412152012 /nfs/dbraw/zinc/15/20/12/412152012.db2.gz ARUXNTRGAMIESP-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662405905 412152282 /nfs/dbraw/zinc/15/22/82/412152282.db2.gz ARUXNTRGAMIESP-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000662406035 412147918 /nfs/dbraw/zinc/14/79/18/412147918.db2.gz SJJKEKSILCMQDM-GUBZILKMSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000662406036 412147079 /nfs/dbraw/zinc/14/70/79/412147079.db2.gz SJJKEKSILCMQDM-OPRDCNLKSA-N 2 0 211.309 -0.161 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662407029 412151465 /nfs/dbraw/zinc/15/14/65/412151465.db2.gz PUWWOWJYFNEZBC-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662407030 412152268 /nfs/dbraw/zinc/15/22/68/412152268.db2.gz PUWWOWJYFNEZBC-MXWKQRLJSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662407031 412151661 /nfs/dbraw/zinc/15/16/61/412151661.db2.gz PUWWOWJYFNEZBC-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662407032 412151695 /nfs/dbraw/zinc/15/16/95/412151695.db2.gz PUWWOWJYFNEZBC-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662408413 412123442 /nfs/dbraw/zinc/12/34/42/412123442.db2.gz RPDVKIHNVTUIHF-QMMMGPOBSA-N 2 0 203.286 -0.926 20 0 BBADRP C[NH2+]CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662408468 412153204 /nfs/dbraw/zinc/15/32/04/412153204.db2.gz UAGAVCXLXPJJSP-UHFFFAOYSA-N 2 0 226.280 -0.182 20 0 BBADRP C[NH2+]CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662408485 412153593 /nfs/dbraw/zinc/15/35/93/412153593.db2.gz UMUIJZJZHCSBQV-UHFFFAOYSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662408723 412152754 /nfs/dbraw/zinc/15/27/54/412152754.db2.gz YVDZSODHBUIIOR-MRVPVSSYSA-N 2 0 239.241 -0.136 20 0 BBADRP C[NH2+]CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662408724 412152906 /nfs/dbraw/zinc/15/29/06/412152906.db2.gz YVDZSODHBUIIOR-QMMMGPOBSA-N 2 0 239.241 -0.136 20 0 BBADRP C[NH2+]CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662409475 412154785 /nfs/dbraw/zinc/15/47/85/412154785.db2.gz MRZHPYJQMRXGLJ-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662409744 412154799 /nfs/dbraw/zinc/15/47/99/412154799.db2.gz QJMZSIHZMZTZBJ-VIFPVBQESA-N 2 0 217.313 -0.536 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662409787 412151395 /nfs/dbraw/zinc/15/13/95/412151395.db2.gz RVSOFOKZHCIYLZ-BDAKNGLRSA-N 2 0 215.297 -0.924 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662409788 412151785 /nfs/dbraw/zinc/15/17/85/412151785.db2.gz RVSOFOKZHCIYLZ-DTWKUNHWSA-N 2 0 215.297 -0.924 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662409789 412152299 /nfs/dbraw/zinc/15/22/99/412152299.db2.gz RVSOFOKZHCIYLZ-IUCAKERBSA-N 2 0 215.297 -0.924 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662409790 412151646 /nfs/dbraw/zinc/15/16/46/412151646.db2.gz RVSOFOKZHCIYLZ-RKDXNWHRSA-N 2 0 215.297 -0.924 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000662410346 412154099 /nfs/dbraw/zinc/15/40/99/412154099.db2.gz YLIWVVQOYHSWOL-NSHDSACASA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662410487 412154962 /nfs/dbraw/zinc/15/49/62/412154962.db2.gz LEFXKCKFOWNQNY-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662410488 412154231 /nfs/dbraw/zinc/15/42/31/412154231.db2.gz LEFXKCKFOWNQNY-MNOVXSKESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662410489 412154504 /nfs/dbraw/zinc/15/45/04/412154504.db2.gz LEFXKCKFOWNQNY-QWRGUYRKSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662410490 412154422 /nfs/dbraw/zinc/15/44/22/412154422.db2.gz LEFXKCKFOWNQNY-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000662411573 412155988 /nfs/dbraw/zinc/15/59/88/412155988.db2.gz KXHPIHYMZYMHPU-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000662411574 412155243 /nfs/dbraw/zinc/15/52/43/412155243.db2.gz KXHPIHYMZYMHPU-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000662411575 412156013 /nfs/dbraw/zinc/15/60/13/412156013.db2.gz KXHPIHYMZYMHPU-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000662411576 412156103 /nfs/dbraw/zinc/15/61/03/412156103.db2.gz KXHPIHYMZYMHPU-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000662411639 412156072 /nfs/dbraw/zinc/15/60/72/412156072.db2.gz FHMFCAFZROCABM-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000662411640 412155639 /nfs/dbraw/zinc/15/56/39/412155639.db2.gz FHMFCAFZROCABM-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000662412062 412155568 /nfs/dbraw/zinc/15/55/68/412155568.db2.gz HTAASPVAMONVSC-GUBZILKMSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000662412063 412155485 /nfs/dbraw/zinc/15/54/85/412155485.db2.gz HTAASPVAMONVSC-OPRDCNLKSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C1(CC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000662412086 412155970 /nfs/dbraw/zinc/15/59/70/412155970.db2.gz ILQCVJQOYBNBJS-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]C1(CC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000662412087 412156040 /nfs/dbraw/zinc/15/60/40/412156040.db2.gz ILQCVJQOYBNBJS-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662412234 412155691 /nfs/dbraw/zinc/15/56/91/412155691.db2.gz KKBRMMJXWKVVKW-XYPYZODXSA-N 2 0 240.351 -0.913 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000662412277 412155686 /nfs/dbraw/zinc/15/56/86/412155686.db2.gz ORSHGAMFSOZBAC-AEJSXWLSSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000662412280 412155471 /nfs/dbraw/zinc/15/54/71/412155471.db2.gz ORSHGAMFSOZBAC-BBBLOLIVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000662412283 412156069 /nfs/dbraw/zinc/15/60/69/412156069.db2.gz ORSHGAMFSOZBAC-GUBZILKMSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000662412285 412155375 /nfs/dbraw/zinc/15/53/75/412155375.db2.gz ORSHGAMFSOZBAC-UTLUCORTSA-N 2 0 227.308 -0.782 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000662412855 412155905 /nfs/dbraw/zinc/15/59/05/412155905.db2.gz ROXVXFRIFWVGGM-MNOVXSKESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[NH2+]CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000662412857 487603213 /nfs/dbraw/zinc/60/32/13/487603213.db2.gz RPHUIWPQYRHUDJ-UHFFFAOYSA-N 2 0 242.367 -0.652 20 0 BBADRP [NH3+][C@@H](CNC(=O)C1(O)C[NH2+]C1)c1ccccc1 ZINC000662414222 487603331 /nfs/dbraw/zinc/60/33/31/487603331.db2.gz WSCSUIXAHUPXLJ-JTQLQIEISA-N 2 0 235.287 -0.863 20 0 BBADRP [NH3+][C@H](CNC(=O)C1(O)C[NH2+]C1)c1ccccc1 ZINC000662414223 487602957 /nfs/dbraw/zinc/60/29/57/487602957.db2.gz WSCSUIXAHUPXLJ-SNVBAGLBSA-N 2 0 235.287 -0.863 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C(=O)CC1([NH3+])CC1 ZINC000662414471 412157483 /nfs/dbraw/zinc/15/74/83/412157483.db2.gz SBBGNCZLXPHUHL-UHFFFAOYSA-N 2 0 240.351 -0.769 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662414732 412156496 /nfs/dbraw/zinc/15/64/96/412156496.db2.gz XWCAGDNGMCCOMS-GUBZILKMSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662414734 412156916 /nfs/dbraw/zinc/15/69/16/412156916.db2.gz XWCAGDNGMCCOMS-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP CN(C(=O)[C@@H]1CCO[C@H]1C[NH3+])[C@H]1CC[NH2+]C1 ZINC000662414904 412156881 /nfs/dbraw/zinc/15/68/81/412156881.db2.gz HRPDWLULUFYSPZ-AEJSXWLSSA-N 2 0 227.308 -0.830 20 0 BBADRP CN(C(=O)[C@@H]1CCO[C@H]1C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000662414905 412157105 /nfs/dbraw/zinc/15/71/05/412157105.db2.gz HRPDWLULUFYSPZ-BBBLOLIVSA-N 2 0 227.308 -0.830 20 0 BBADRP CN(C(=O)[C@@H]1CCO[C@@H]1C[NH3+])[C@H]1CC[NH2+]C1 ZINC000662414906 412157350 /nfs/dbraw/zinc/15/73/50/412157350.db2.gz HRPDWLULUFYSPZ-IVZWLZJFSA-N 2 0 227.308 -0.830 20 0 BBADRP CN(C(=O)[C@@H]1CCO[C@@H]1C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000662414907 412156926 /nfs/dbraw/zinc/15/69/26/412156926.db2.gz HRPDWLULUFYSPZ-OPRDCNLKSA-N 2 0 227.308 -0.830 20 0 BBADRP C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662415132 412156823 /nfs/dbraw/zinc/15/68/23/412156823.db2.gz BLSCUQZBFDFKRN-KYZUINATSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@@H](C)[NH2+]1 ZINC000662416019 412158837 /nfs/dbraw/zinc/15/88/37/412158837.db2.gz QHKBBHQMPQLZSJ-DBIOUOCHSA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@@H](C)[NH2+]1 ZINC000662416020 412158366 /nfs/dbraw/zinc/15/83/66/412158366.db2.gz QHKBBHQMPQLZSJ-GWOFURMSSA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H](C)[NH2+]1 ZINC000662416021 412158770 /nfs/dbraw/zinc/15/87/70/412158770.db2.gz QHKBBHQMPQLZSJ-LMLFDSFASA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H](C)[NH2+]1 ZINC000662416022 412158662 /nfs/dbraw/zinc/15/86/62/412158662.db2.gz QHKBBHQMPQLZSJ-YTWAJWBKSA-N 2 0 241.335 -0.441 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000662416043 412158735 /nfs/dbraw/zinc/15/87/35/412158735.db2.gz QVHLZOLVNQXFRN-CHIWXEEVSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000662416044 412158441 /nfs/dbraw/zinc/15/84/41/412158441.db2.gz QVHLZOLVNQXFRN-XKNYDFJKSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000662416045 412158430 /nfs/dbraw/zinc/15/84/30/412158430.db2.gz QVHLZOLVNQXFRN-ZYUZMQFOSA-N 2 0 211.309 -0.068 20 0 BBADRP [NH3+]C[C@H](NC(=O)C1(O)C[NH2+]C1)C1CCCCC1 ZINC000662416657 412158728 /nfs/dbraw/zinc/15/87/28/412158728.db2.gz FKCSRDPGJAJNOV-JTQLQIEISA-N 2 0 241.335 -0.656 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C1(O)C[NH2+]C1)C1CCCCC1 ZINC000662416660 412158409 /nfs/dbraw/zinc/15/84/09/412158409.db2.gz FKCSRDPGJAJNOV-SNVBAGLBSA-N 2 0 241.335 -0.656 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000662416721 412158929 /nfs/dbraw/zinc/15/89/29/412158929.db2.gz HSARUPXEHIHHGH-ARENWVFISA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@](C[NH3+])(NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000662416722 412158513 /nfs/dbraw/zinc/15/85/13/412158513.db2.gz HSARUPXEHIHHGH-BCMRRPTOSA-N 2 0 211.309 -0.033 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000662416850 412158581 /nfs/dbraw/zinc/15/85/81/412158581.db2.gz GDHBYTANBOEIQG-BDAKNGLRSA-N 2 0 217.313 -0.456 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000662416852 412158307 /nfs/dbraw/zinc/15/83/07/412158307.db2.gz GDHBYTANBOEIQG-IUCAKERBSA-N 2 0 217.313 -0.456 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[NH2+]1 ZINC000662417353 412158709 /nfs/dbraw/zinc/15/87/09/412158709.db2.gz FXSFGNCIBTYOPB-BBBLOLIVSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[NH2+]1 ZINC000662417354 412159061 /nfs/dbraw/zinc/15/90/61/412159061.db2.gz FXSFGNCIBTYOPB-KXUCPTDWSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[NH2+]1 ZINC000662417355 412158316 /nfs/dbraw/zinc/15/83/16/412158316.db2.gz FXSFGNCIBTYOPB-OPRDCNLKSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[NH2+]1 ZINC000662417356 412158256 /nfs/dbraw/zinc/15/82/56/412158256.db2.gz FXSFGNCIBTYOPB-UTLUCORTSA-N 2 0 227.308 -0.830 20 0 BBADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C1(O)C[NH2+]C1 ZINC000662418274 412159555 /nfs/dbraw/zinc/15/95/55/412159555.db2.gz OWLPKFURGIVCKF-UHFFFAOYSA-N 2 0 247.298 -0.395 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000662418723 412160444 /nfs/dbraw/zinc/16/04/44/412160444.db2.gz SATLAMYPOCPFKI-UWVGGRQHSA-N 2 0 229.324 -0.441 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000662418724 412160053 /nfs/dbraw/zinc/16/00/53/412160053.db2.gz SATLAMYPOCPFKI-ZJUUUORDSA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000662419900 412161297 /nfs/dbraw/zinc/16/12/97/412161297.db2.gz PGQNTJMDYJQQSH-AATLWQCWSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000662419901 412161653 /nfs/dbraw/zinc/16/16/53/412161653.db2.gz PGQNTJMDYJQQSH-KYXWUPHJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000662419902 412161640 /nfs/dbraw/zinc/16/16/40/412161640.db2.gz PGQNTJMDYJQQSH-XKNYDFJKSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000662419903 412161081 /nfs/dbraw/zinc/16/10/81/412161081.db2.gz PGQNTJMDYJQQSH-ZYUZMQFOSA-N 2 0 211.309 -0.081 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000662420310 412161710 /nfs/dbraw/zinc/16/17/10/412161710.db2.gz SSARUXYTWDLXJS-AXFHLTTASA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000662420311 412161691 /nfs/dbraw/zinc/16/16/91/412161691.db2.gz SSARUXYTWDLXJS-DCAQKATOSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000662420312 412161599 /nfs/dbraw/zinc/16/15/99/412161599.db2.gz SSARUXYTWDLXJS-MXWKQRLJSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000662420313 412161839 /nfs/dbraw/zinc/16/18/39/412161839.db2.gz SSARUXYTWDLXJS-VWYCJHECSA-N 2 0 243.351 -0.066 20 0 BBADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662420456 412161677 /nfs/dbraw/zinc/16/16/77/412161677.db2.gz AJGQMVUIHOXGCZ-MRVPVSSYSA-N 2 0 235.287 -0.021 20 0 BBADRP C[C@H]([NH3+])c1ccc(NC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662420458 412161126 /nfs/dbraw/zinc/16/11/26/412161126.db2.gz AJGQMVUIHOXGCZ-QMMMGPOBSA-N 2 0 235.287 -0.021 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000662420602 409707561 /nfs/dbraw/zinc/70/75/61/409707561.db2.gz BEBUVEGIUXJCJX-UWVGGRQHSA-N 2 0 231.340 -0.162 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000662420608 409706400 /nfs/dbraw/zinc/70/64/00/409706400.db2.gz BEBUVEGIUXJCJX-ZJUUUORDSA-N 2 0 231.340 -0.162 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662421809 412161184 /nfs/dbraw/zinc/16/11/84/412161184.db2.gz PJIGEQAWSIFOEQ-BDAKNGLRSA-N 2 0 215.297 -0.843 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662421810 412161032 /nfs/dbraw/zinc/16/10/32/412161032.db2.gz PJIGEQAWSIFOEQ-DTWKUNHWSA-N 2 0 215.297 -0.843 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662421811 412161231 /nfs/dbraw/zinc/16/12/31/412161231.db2.gz PJIGEQAWSIFOEQ-IUCAKERBSA-N 2 0 215.297 -0.843 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662421812 412161054 /nfs/dbraw/zinc/16/10/54/412161054.db2.gz PJIGEQAWSIFOEQ-RKDXNWHRSA-N 2 0 215.297 -0.843 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000662423859 412160331 /nfs/dbraw/zinc/16/03/31/412160331.db2.gz MCZYINLPFHIDGE-QMMMGPOBSA-N 2 0 217.313 -0.408 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662424994 412164370 /nfs/dbraw/zinc/16/43/70/412164370.db2.gz WCICXVKROAVKNS-AEJSXWLSSA-N 2 0 229.324 -0.550 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662424995 412163636 /nfs/dbraw/zinc/16/36/36/412163636.db2.gz WCICXVKROAVKNS-BBBLOLIVSA-N 2 0 229.324 -0.550 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662424996 412163927 /nfs/dbraw/zinc/16/39/27/412163927.db2.gz WCICXVKROAVKNS-IVZWLZJFSA-N 2 0 229.324 -0.550 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662424997 412164376 /nfs/dbraw/zinc/16/43/76/412164376.db2.gz WCICXVKROAVKNS-OPRDCNLKSA-N 2 0 229.324 -0.550 20 0 BBADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662425436 409708434 /nfs/dbraw/zinc/70/84/34/409708434.db2.gz BEFWPUKQXHSOLJ-SECBINFHSA-N 2 0 249.314 -0.343 20 0 BBADRP C[C@H]([NH3+])c1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662425437 409708870 /nfs/dbraw/zinc/70/88/70/409708870.db2.gz BEFWPUKQXHSOLJ-VIFPVBQESA-N 2 0 249.314 -0.343 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662426572 412165729 /nfs/dbraw/zinc/16/57/29/412165729.db2.gz VOPXILNPTWJKBF-NXEZZACHSA-N 2 0 243.351 -0.016 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662426573 412165894 /nfs/dbraw/zinc/16/58/94/412165894.db2.gz VOPXILNPTWJKBF-UWVGGRQHSA-N 2 0 243.351 -0.016 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662426574 412165819 /nfs/dbraw/zinc/16/58/19/412165819.db2.gz VOPXILNPTWJKBF-VHSXEESVSA-N 2 0 243.351 -0.016 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662426575 412164934 /nfs/dbraw/zinc/16/49/34/412164934.db2.gz VOPXILNPTWJKBF-ZJUUUORDSA-N 2 0 243.351 -0.016 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662426749 409709233 /nfs/dbraw/zinc/70/92/33/409709233.db2.gz BKMAKOSPAMFTGD-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662426750 409709985 /nfs/dbraw/zinc/70/99/85/409709985.db2.gz BKMAKOSPAMFTGD-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC000662426762 412165824 /nfs/dbraw/zinc/16/58/24/412165824.db2.gz BRGYXWJEYNHZSQ-MNOVXSKESA-N 2 0 243.351 -0.051 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC000662426763 412165139 /nfs/dbraw/zinc/16/51/39/412165139.db2.gz BRGYXWJEYNHZSQ-QWRGUYRKSA-N 2 0 243.351 -0.051 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662427348 412165879 /nfs/dbraw/zinc/16/58/79/412165879.db2.gz MQYRJUVYDFPVGP-NXEZZACHSA-N 2 0 243.351 -0.207 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662427349 412164956 /nfs/dbraw/zinc/16/49/56/412164956.db2.gz MQYRJUVYDFPVGP-UWVGGRQHSA-N 2 0 243.351 -0.207 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662427350 412165600 /nfs/dbraw/zinc/16/56/00/412165600.db2.gz MQYRJUVYDFPVGP-VHSXEESVSA-N 2 0 243.351 -0.207 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662427351 412165597 /nfs/dbraw/zinc/16/55/97/412165597.db2.gz MQYRJUVYDFPVGP-ZJUUUORDSA-N 2 0 243.351 -0.207 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662428077 412166902 /nfs/dbraw/zinc/16/69/02/412166902.db2.gz MMNDCIRZEMBJRR-SECBINFHSA-N 2 0 229.324 -0.848 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662428080 412166991 /nfs/dbraw/zinc/16/69/91/412166991.db2.gz MMNDCIRZEMBJRR-VIFPVBQESA-N 2 0 229.324 -0.848 20 0 BBADRP CC[NH2+]CC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662428296 412167160 /nfs/dbraw/zinc/16/71/60/412167160.db2.gz BWLRRNGEHQZQLZ-UHFFFAOYSA-N 2 0 241.335 -0.831 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000662428351 412167011 /nfs/dbraw/zinc/16/70/11/412167011.db2.gz IPMDISTTWRWXAH-JTQLQIEISA-N 2 0 228.340 -0.914 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000662428354 412167259 /nfs/dbraw/zinc/16/72/59/412167259.db2.gz IPMDISTTWRWXAH-SNVBAGLBSA-N 2 0 228.340 -0.914 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000662429733 409712121 /nfs/dbraw/zinc/71/21/21/409712121.db2.gz SHHFMTBBPMOKPV-NXEZZACHSA-N 2 0 228.340 -0.914 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000662429734 409711513 /nfs/dbraw/zinc/71/15/13/409711513.db2.gz SHHFMTBBPMOKPV-UWVGGRQHSA-N 2 0 228.340 -0.914 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000662429735 409712233 /nfs/dbraw/zinc/71/22/33/409712233.db2.gz SHHFMTBBPMOKPV-VHSXEESVSA-N 2 0 228.340 -0.914 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000662429736 409711800 /nfs/dbraw/zinc/71/18/00/409711800.db2.gz SHHFMTBBPMOKPV-ZJUUUORDSA-N 2 0 228.340 -0.914 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662431631 409713961 /nfs/dbraw/zinc/71/39/61/409713961.db2.gz KTSPLUKLAHLCPN-GMTAPVOTSA-N 2 0 243.351 -0.016 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662431632 409715790 /nfs/dbraw/zinc/71/57/90/409715790.db2.gz KTSPLUKLAHLCPN-MXWKQRLJSA-N 2 0 243.351 -0.016 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662431633 409713440 /nfs/dbraw/zinc/71/34/40/409713440.db2.gz KTSPLUKLAHLCPN-OUAUKWLOSA-N 2 0 243.351 -0.016 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662431634 409716082 /nfs/dbraw/zinc/71/60/82/409716082.db2.gz KTSPLUKLAHLCPN-VWYCJHECSA-N 2 0 243.351 -0.016 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000662431997 412168067 /nfs/dbraw/zinc/16/80/67/412168067.db2.gz NXMXRVRSUJBOEX-CIUDSAMLSA-N 2 0 215.297 -0.831 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000662431998 412168393 /nfs/dbraw/zinc/16/83/93/412168393.db2.gz NXMXRVRSUJBOEX-HRDYMLBCSA-N 2 0 215.297 -0.831 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000662431999 412168599 /nfs/dbraw/zinc/16/85/99/412168599.db2.gz NXMXRVRSUJBOEX-VGMNWLOBSA-N 2 0 215.297 -0.831 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000662432000 412169089 /nfs/dbraw/zinc/16/90/89/412169089.db2.gz NXMXRVRSUJBOEX-XHNCKOQMSA-N 2 0 215.297 -0.831 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662432083 412170058 /nfs/dbraw/zinc/17/00/58/412170058.db2.gz OKMMOFIOOOXULP-AATLWQCWSA-N 2 0 227.308 -0.702 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662432084 412169821 /nfs/dbraw/zinc/16/98/21/412169821.db2.gz OKMMOFIOOOXULP-KYXWUPHJSA-N 2 0 227.308 -0.702 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662432086 412170494 /nfs/dbraw/zinc/17/04/94/412170494.db2.gz OKMMOFIOOOXULP-XKNYDFJKSA-N 2 0 227.308 -0.702 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662432088 412170049 /nfs/dbraw/zinc/17/00/49/412170049.db2.gz OKMMOFIOOOXULP-ZYUZMQFOSA-N 2 0 227.308 -0.702 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000662432153 412169726 /nfs/dbraw/zinc/16/97/26/412169726.db2.gz PEHKLMILPITNFZ-GUBZILKMSA-N 2 0 229.324 -0.441 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000662432154 412169959 /nfs/dbraw/zinc/16/99/59/412169959.db2.gz PEHKLMILPITNFZ-KXUCPTDWSA-N 2 0 229.324 -0.441 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000662432158 412169489 /nfs/dbraw/zinc/16/94/89/412169489.db2.gz PEHKLMILPITNFZ-LPEHRKFASA-N 2 0 229.324 -0.441 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000662432159 412170536 /nfs/dbraw/zinc/17/05/36/412170536.db2.gz PEHKLMILPITNFZ-UTLUCORTSA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662432440 409716431 /nfs/dbraw/zinc/71/64/31/409716431.db2.gz RJBFECKLXFRAMJ-CHWFTXMASA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662432441 409716225 /nfs/dbraw/zinc/71/62/25/409716225.db2.gz RJBFECKLXFRAMJ-VLEAKVRGSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662432442 409713320 /nfs/dbraw/zinc/71/33/20/409713320.db2.gz RJBFECKLXFRAMJ-ZNSHCXBVSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662432446 409713351 /nfs/dbraw/zinc/71/33/51/409713351.db2.gz RJBFECKLXFRAMJ-ZRUFSTJUSA-N 2 0 241.335 -0.312 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000662432476 412170116 /nfs/dbraw/zinc/17/01/16/412170116.db2.gz ROJZSIVTKBIDCW-NXEZZACHSA-N 2 0 229.324 -0.441 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000662432477 412169954 /nfs/dbraw/zinc/16/99/54/412169954.db2.gz ROJZSIVTKBIDCW-UWVGGRQHSA-N 2 0 229.324 -0.441 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000662432478 412170090 /nfs/dbraw/zinc/17/00/90/412170090.db2.gz ROJZSIVTKBIDCW-VHSXEESVSA-N 2 0 229.324 -0.441 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000662432479 412169875 /nfs/dbraw/zinc/16/98/75/412169875.db2.gz ROJZSIVTKBIDCW-ZJUUUORDSA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC2([NH3+])CC2)CCO1 ZINC000662433252 409713422 /nfs/dbraw/zinc/71/34/22/409713422.db2.gz ZCHBGTFTGOTIQO-BDAKNGLRSA-N 2 0 227.308 -0.558 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC2([NH3+])CC2)CCO1 ZINC000662433253 409716266 /nfs/dbraw/zinc/71/62/66/409716266.db2.gz ZCHBGTFTGOTIQO-DTWKUNHWSA-N 2 0 227.308 -0.558 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC2([NH3+])CC2)CCO1 ZINC000662433254 409713769 /nfs/dbraw/zinc/71/37/69/409713769.db2.gz ZCHBGTFTGOTIQO-IUCAKERBSA-N 2 0 227.308 -0.558 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC2([NH3+])CC2)CCO1 ZINC000662433255 409714351 /nfs/dbraw/zinc/71/43/51/409714351.db2.gz ZCHBGTFTGOTIQO-RKDXNWHRSA-N 2 0 227.308 -0.558 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NCC[N@H+](C)CCOC ZINC000662440022 412176616 /nfs/dbraw/zinc/17/66/16/412176616.db2.gz WGXUINGYBCXMEH-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+](C)CCOC ZINC000662440023 409718535 /nfs/dbraw/zinc/71/85/35/409718535.db2.gz WGXUINGYBCXMEH-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000662453465 412179649 /nfs/dbraw/zinc/17/96/49/412179649.db2.gz ZQNMXCWVPOKYIA-LLVKDONJSA-N 2 0 243.351 -0.179 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000662453466 412180556 /nfs/dbraw/zinc/18/05/56/412180556.db2.gz ZQNMXCWVPOKYIA-NSHDSACASA-N 2 0 243.351 -0.179 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000662455160 412182087 /nfs/dbraw/zinc/18/20/87/412182087.db2.gz VHDFCICKVVHKDD-GHMZBOCLSA-N 2 0 242.367 -0.654 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000662455166 412181683 /nfs/dbraw/zinc/18/16/83/412181683.db2.gz VHDFCICKVVHKDD-MNOVXSKESA-N 2 0 242.367 -0.654 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000662455168 412181312 /nfs/dbraw/zinc/18/13/12/412181312.db2.gz VHDFCICKVVHKDD-QWRGUYRKSA-N 2 0 242.367 -0.654 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000662455170 412181572 /nfs/dbraw/zinc/18/15/72/412181572.db2.gz VHDFCICKVVHKDD-WDEREUQCSA-N 2 0 242.367 -0.654 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000662514733 412202007 /nfs/dbraw/zinc/20/20/07/412202007.db2.gz QATKUTDBKSYVGC-AXFHLTTASA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000662514734 412201216 /nfs/dbraw/zinc/20/12/16/412201216.db2.gz QATKUTDBKSYVGC-DCAQKATOSA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000662514735 412201372 /nfs/dbraw/zinc/20/13/72/412201372.db2.gz QATKUTDBKSYVGC-MXWKQRLJSA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000662514736 412201920 /nfs/dbraw/zinc/20/19/20/412201920.db2.gz QATKUTDBKSYVGC-VWYCJHECSA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000662515775 412201584 /nfs/dbraw/zinc/20/15/84/412201584.db2.gz WPYTYKQBXNHDRX-VIFPVBQESA-N 2 0 229.324 -0.264 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000662516295 412201813 /nfs/dbraw/zinc/20/18/13/412201813.db2.gz DLKBKOXXZRCFPW-VIFPVBQESA-N 2 0 217.313 -0.584 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662519824 412202733 /nfs/dbraw/zinc/20/27/33/412202733.db2.gz WHDMIKWBAAASHD-AEJSXWLSSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662519825 412202673 /nfs/dbraw/zinc/20/26/73/412202673.db2.gz WHDMIKWBAAASHD-GUBZILKMSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662519826 412202329 /nfs/dbraw/zinc/20/23/29/412202329.db2.gz WHDMIKWBAAASHD-IVZWLZJFSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662519827 412202497 /nfs/dbraw/zinc/20/24/97/412202497.db2.gz WHDMIKWBAAASHD-LPEHRKFASA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662520984 412202692 /nfs/dbraw/zinc/20/26/92/412202692.db2.gz NHHPXVBKTNBMRA-AEJSXWLSSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662520985 412203063 /nfs/dbraw/zinc/20/30/63/412203063.db2.gz NHHPXVBKTNBMRA-GUBZILKMSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662520986 412197905 /nfs/dbraw/zinc/19/79/05/412197905.db2.gz NHHPXVBKTNBMRA-IVZWLZJFSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662520987 412198638 /nfs/dbraw/zinc/19/86/38/412198638.db2.gz NHHPXVBKTNBMRA-LPEHRKFASA-N 2 0 211.309 -0.195 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000662523511 409747664 /nfs/dbraw/zinc/74/76/64/409747664.db2.gz LZLNZEZJHGGFJD-JTQLQIEISA-N 2 0 231.340 -0.193 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCn1ccnc1 ZINC000662523931 412204528 /nfs/dbraw/zinc/20/45/28/412204528.db2.gz HADOXEYKDZYIQK-JTQLQIEISA-N 2 0 240.307 -0.248 20 0 BBADRP CCN1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662523945 412204306 /nfs/dbraw/zinc/20/43/06/412204306.db2.gz RRQZREGIZIXTBX-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C)CC1 ZINC000662524424 412203648 /nfs/dbraw/zinc/20/36/48/412203648.db2.gz VNDKVOQWCXVOSN-JTQLQIEISA-N 2 0 229.324 -0.487 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NCCOCC[NH+](C)C ZINC000662535258 412208906 /nfs/dbraw/zinc/20/89/06/412208906.db2.gz KHMGWZOFJWLYIU-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NCCOCC[NH+](C)C ZINC000662535259 412208310 /nfs/dbraw/zinc/20/83/10/412208310.db2.gz KHMGWZOFJWLYIU-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000662548375 412211624 /nfs/dbraw/zinc/21/16/24/412211624.db2.gz DSDCORFTPXSIGJ-BDAKNGLRSA-N 2 0 217.313 -0.550 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000662548377 412211642 /nfs/dbraw/zinc/21/16/42/412211642.db2.gz DSDCORFTPXSIGJ-IUCAKERBSA-N 2 0 217.313 -0.550 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662548783 412211825 /nfs/dbraw/zinc/21/18/25/412211825.db2.gz IBRYNFMYQMHHEH-JTQLQIEISA-N 2 0 231.340 -0.146 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000662550135 412212715 /nfs/dbraw/zinc/21/27/15/412212715.db2.gz BXHRCDKXXFWGEE-UTLUCORTSA-N 2 0 211.309 -0.033 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662550238 412212226 /nfs/dbraw/zinc/21/22/26/412212226.db2.gz FJCAXEOUJSXNDW-JTQLQIEISA-N 2 0 247.339 -0.909 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000662550270 412212132 /nfs/dbraw/zinc/21/21/32/412212132.db2.gz GDVAGUAKVAOAJY-UWVGGRQHSA-N 2 0 229.324 -0.408 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000662550271 412212705 /nfs/dbraw/zinc/21/27/05/412212705.db2.gz GDVAGUAKVAOAJY-ZJUUUORDSA-N 2 0 229.324 -0.408 20 0 BBADRP COCC[NH2+]CCNC(=O)C[NH2+]C(C)C ZINC000662551891 412213120 /nfs/dbraw/zinc/21/31/20/412213120.db2.gz UAKQURBTGWCRAN-UHFFFAOYSA-N 2 0 217.313 -0.663 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NCC[NH2+]CCOC ZINC000662552431 409755408 /nfs/dbraw/zinc/75/54/08/409755408.db2.gz YXXCVUIEKCRTNS-SECBINFHSA-N 2 0 217.313 -0.663 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NCC[NH2+]CCOC ZINC000662552432 409755898 /nfs/dbraw/zinc/75/58/98/409755898.db2.gz YXXCVUIEKCRTNS-VIFPVBQESA-N 2 0 217.313 -0.663 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000662552719 412213222 /nfs/dbraw/zinc/21/32/22/412213222.db2.gz DFBBLGAJPVHXQA-MNOVXSKESA-N 2 0 243.351 -0.003 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000662552723 409755452 /nfs/dbraw/zinc/75/54/52/409755452.db2.gz DFBBLGAJPVHXQA-QWRGUYRKSA-N 2 0 243.351 -0.003 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000662552911 412213686 /nfs/dbraw/zinc/21/36/86/412213686.db2.gz FZSMFAKOYSIFHW-SECBINFHSA-N 2 0 215.297 -0.830 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000662552912 412213691 /nfs/dbraw/zinc/21/36/91/412213691.db2.gz FZSMFAKOYSIFHW-VIFPVBQESA-N 2 0 215.297 -0.830 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000662552920 412214873 /nfs/dbraw/zinc/21/48/73/412214873.db2.gz GGYYERCAEXIHBJ-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000662552921 412214741 /nfs/dbraw/zinc/21/47/41/412214741.db2.gz GGYYERCAEXIHBJ-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000662552922 412215094 /nfs/dbraw/zinc/21/50/94/412215094.db2.gz GGYYERCAEXIHBJ-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000662552923 412214668 /nfs/dbraw/zinc/21/46/68/412214668.db2.gz GGYYERCAEXIHBJ-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662554262 412215024 /nfs/dbraw/zinc/21/50/24/412215024.db2.gz OTSJJSHJFBTGKG-AEJSXWLSSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662554271 412215124 /nfs/dbraw/zinc/21/51/24/412215124.db2.gz OTSJJSHJFBTGKG-BBBLOLIVSA-N 2 0 227.308 -0.700 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000662555335 412215811 /nfs/dbraw/zinc/21/58/11/412215811.db2.gz UWAOHOKYYLYQSC-SFYZADRCSA-N 2 0 203.286 -0.798 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000662557304 409758049 /nfs/dbraw/zinc/75/80/49/409758049.db2.gz HGFPGCBPTGCCJR-DCAQKATOSA-N 2 0 243.351 -0.147 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000662557305 409757473 /nfs/dbraw/zinc/75/74/73/409757473.db2.gz HGFPGCBPTGCCJR-GARJFASQSA-N 2 0 243.351 -0.147 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000662557306 409757206 /nfs/dbraw/zinc/75/72/06/409757206.db2.gz HGFPGCBPTGCCJR-OUAUKWLOSA-N 2 0 243.351 -0.147 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000662557307 409758014 /nfs/dbraw/zinc/75/80/14/409758014.db2.gz HGFPGCBPTGCCJR-VWYCJHECSA-N 2 0 243.351 -0.147 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000662558761 412217795 /nfs/dbraw/zinc/21/77/95/412217795.db2.gz KIVKNUZGXZQABA-SFYZADRCSA-N 2 0 203.286 -0.798 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000662558762 412217601 /nfs/dbraw/zinc/21/76/01/412217601.db2.gz KIVKNUZGXZQABA-YUMQZZPRSA-N 2 0 203.286 -0.798 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662558871 412217728 /nfs/dbraw/zinc/21/77/28/412217728.db2.gz LDNBXXSYWJRMHF-AXFHLTTASA-N 2 0 241.335 -0.584 20 0 BBADRP CC(C)[NH2+]CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662559112 412217895 /nfs/dbraw/zinc/21/78/95/412217895.db2.gz RVHHCCRHIJNNKD-AOOOYVTPSA-N 2 0 211.309 -0.338 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662559603 412217979 /nfs/dbraw/zinc/21/79/79/412217979.db2.gz XCJDIFOQVKIINR-AEJSXWLSSA-N 2 0 211.309 -0.338 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662559604 412218159 /nfs/dbraw/zinc/21/81/59/412218159.db2.gz XCJDIFOQVKIINR-KXUCPTDWSA-N 2 0 211.309 -0.338 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000662561519 412218657 /nfs/dbraw/zinc/21/86/57/412218657.db2.gz DDACRIPIEYOLDN-CMPLNLGQSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000662561520 412218817 /nfs/dbraw/zinc/21/88/17/412218817.db2.gz DDACRIPIEYOLDN-JQWIXIFHSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000662561521 412218987 /nfs/dbraw/zinc/21/89/87/412218987.db2.gz DDACRIPIEYOLDN-PWSUYJOCSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000662561522 412219182 /nfs/dbraw/zinc/21/91/82/412219182.db2.gz DDACRIPIEYOLDN-ZYHUDNBSSA-N 2 0 243.351 -0.131 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000662562299 409760947 /nfs/dbraw/zinc/76/09/47/409760947.db2.gz NYOKRZFPHCQMMY-OUAUKWLOSA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000662563463 412220490 /nfs/dbraw/zinc/22/04/90/412220490.db2.gz UQALKZKYDXMUTK-AXFHLTTASA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662563464 412220209 /nfs/dbraw/zinc/22/02/09/412220209.db2.gz UQALKZKYDXMUTK-DCAQKATOSA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000662563465 412220251 /nfs/dbraw/zinc/22/02/51/412220251.db2.gz UQALKZKYDXMUTK-MXWKQRLJSA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000662563466 409761743 /nfs/dbraw/zinc/76/17/43/409761743.db2.gz UQALKZKYDXMUTK-VWYCJHECSA-N 2 0 243.351 -0.005 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000662564886 412219897 /nfs/dbraw/zinc/21/98/97/412219897.db2.gz AYCLJUKHABMCOO-QCLAVDOMSA-N 2 0 227.308 -0.927 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000662565708 412221691 /nfs/dbraw/zinc/22/16/91/412221691.db2.gz GKIOCBISSJUTJT-RTBKNWGFSA-N 2 0 229.324 -0.313 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000662566205 409761088 /nfs/dbraw/zinc/76/10/88/409761088.db2.gz UDKZQLUGDRIATA-CIUDSAMLSA-N 2 0 217.288 -0.199 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000662566206 409759931 /nfs/dbraw/zinc/75/99/31/409759931.db2.gz UDKZQLUGDRIATA-XHNCKOQMSA-N 2 0 217.288 -0.199 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662567625 412222439 /nfs/dbraw/zinc/22/24/39/412222439.db2.gz WVZLBOLMENYQPY-BDAKNGLRSA-N 2 0 217.313 -0.408 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662567626 412206731 /nfs/dbraw/zinc/20/67/31/412206731.db2.gz WVZLBOLMENYQPY-IUCAKERBSA-N 2 0 217.313 -0.408 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000662568447 490095450 /nfs/dbraw/zinc/09/54/50/490095450.db2.gz NYJPUMDDIMNTIL-UWVGGRQHSA-N 2 0 231.340 -0.018 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000662568448 490095359 /nfs/dbraw/zinc/09/53/59/490095359.db2.gz NYJPUMDDIMNTIL-ZJUUUORDSA-N 2 0 231.340 -0.018 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000662569357 412223951 /nfs/dbraw/zinc/22/39/51/412223951.db2.gz YRNXSFYMWPOBHT-CIUDSAMLSA-N 2 0 217.313 -0.409 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000662569358 412223733 /nfs/dbraw/zinc/22/37/33/412223733.db2.gz YRNXSFYMWPOBHT-HLTSFMKQSA-N 2 0 217.313 -0.409 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000662569359 412224132 /nfs/dbraw/zinc/22/41/32/412224132.db2.gz YRNXSFYMWPOBHT-VGMNWLOBSA-N 2 0 217.313 -0.409 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000662569360 412223768 /nfs/dbraw/zinc/22/37/68/412223768.db2.gz YRNXSFYMWPOBHT-YIZRAAEISA-N 2 0 217.313 -0.409 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000662569989 487660982 /nfs/dbraw/zinc/66/09/82/487660982.db2.gz DTHRBZQXFPKCTL-GARJFASQSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000662569990 487660821 /nfs/dbraw/zinc/66/08/21/487660821.db2.gz DTHRBZQXFPKCTL-OUAUKWLOSA-N 2 0 241.335 -0.392 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000662570113 412224158 /nfs/dbraw/zinc/22/41/58/412224158.db2.gz GQHKSSGGWXBBGI-AXFHLTTASA-N 2 0 243.351 -0.018 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000662570114 412224144 /nfs/dbraw/zinc/22/41/44/412224144.db2.gz GQHKSSGGWXBBGI-DCAQKATOSA-N 2 0 243.351 -0.018 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000662570141 412223495 /nfs/dbraw/zinc/22/34/95/412223495.db2.gz GQHKSSGGWXBBGI-MXWKQRLJSA-N 2 0 243.351 -0.018 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000662570142 412224030 /nfs/dbraw/zinc/22/40/30/412224030.db2.gz GQHKSSGGWXBBGI-VWYCJHECSA-N 2 0 243.351 -0.018 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000662570716 487661586 /nfs/dbraw/zinc/66/15/86/487661586.db2.gz NIQOQTXNXDZPLS-JTQLQIEISA-N 2 0 229.324 -0.521 20 0 BBADRP CC(C)[NH2+]CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000662570717 487661527 /nfs/dbraw/zinc/66/15/27/487661527.db2.gz NIQOQTXNXDZPLS-SNVBAGLBSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000662571026 412223703 /nfs/dbraw/zinc/22/37/03/412223703.db2.gz PYSITQIEWBNISI-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000662571028 412223815 /nfs/dbraw/zinc/22/38/15/412223815.db2.gz PYSITQIEWBNISI-UWVGGRQHSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000662571029 412224207 /nfs/dbraw/zinc/22/42/07/412224207.db2.gz PYSITQIEWBNISI-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000662571031 412223968 /nfs/dbraw/zinc/22/39/68/412223968.db2.gz PYSITQIEWBNISI-ZJUUUORDSA-N 2 0 229.324 -0.521 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCCO1 ZINC000662572876 412225015 /nfs/dbraw/zinc/22/50/15/412225015.db2.gz BOTYQCXEIDZZJC-AXFHLTTASA-N 2 0 241.335 -0.310 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000662572885 412225047 /nfs/dbraw/zinc/22/50/47/412225047.db2.gz ZUPUVQNRMCDECA-QWRGUYRKSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000662572892 412225020 /nfs/dbraw/zinc/22/50/20/412225020.db2.gz ZUPUVQNRMCDECA-WDEREUQCSA-N 2 0 243.351 -0.066 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCCO1 ZINC000662572904 412225141 /nfs/dbraw/zinc/22/51/41/412225141.db2.gz BOTYQCXEIDZZJC-MXWKQRLJSA-N 2 0 241.335 -0.310 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000662573098 412225238 /nfs/dbraw/zinc/22/52/38/412225238.db2.gz DEBSSLUGASZMLL-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000662573099 412225393 /nfs/dbraw/zinc/22/53/93/412225393.db2.gz DEBSSLUGASZMLL-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000662573100 412224896 /nfs/dbraw/zinc/22/48/96/412224896.db2.gz DEBSSLUGASZMLL-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000662573101 412224719 /nfs/dbraw/zinc/22/47/19/412224719.db2.gz DEBSSLUGASZMLL-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000662573327 412224882 /nfs/dbraw/zinc/22/48/82/412224882.db2.gz SLLPNFBISCCFGX-JTQLQIEISA-N 2 0 243.351 -0.051 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000662573374 412224738 /nfs/dbraw/zinc/22/47/38/412224738.db2.gz APAFZZZHAREHQQ-JTQLQIEISA-N 2 0 229.324 -0.439 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000662573375 412224958 /nfs/dbraw/zinc/22/49/58/412224958.db2.gz APAFZZZHAREHQQ-SNVBAGLBSA-N 2 0 229.324 -0.439 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000662573716 412226542 /nfs/dbraw/zinc/22/65/42/412226542.db2.gz JTQLSGCVHNOYNI-BDAKNGLRSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000662573717 412226155 /nfs/dbraw/zinc/22/61/55/412226155.db2.gz JTQLSGCVHNOYNI-DTWKUNHWSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000662573718 412225841 /nfs/dbraw/zinc/22/58/41/412225841.db2.gz JTQLSGCVHNOYNI-IUCAKERBSA-N 2 0 215.297 -0.911 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000662573719 412221053 /nfs/dbraw/zinc/22/10/53/412221053.db2.gz JTQLSGCVHNOYNI-RKDXNWHRSA-N 2 0 215.297 -0.911 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000662573724 412226610 /nfs/dbraw/zinc/22/66/10/412226610.db2.gz JXFLMIUEFFQSLO-KXUCPTDWSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000662573725 412225999 /nfs/dbraw/zinc/22/59/99/412225999.db2.gz JXFLMIUEFFQSLO-LPEHRKFASA-N 2 0 227.308 -0.782 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000662575212 412226306 /nfs/dbraw/zinc/22/63/06/412226306.db2.gz PHUXTRYBDULZNQ-QMMMGPOBSA-N 2 0 203.286 -0.844 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])COC(C)C ZINC000662575719 412226149 /nfs/dbraw/zinc/22/61/49/412226149.db2.gz QDDUKWJVBHRWQT-JTQLQIEISA-N 2 0 231.340 -0.193 20 0 BBADRP CCO[C@@H]1CN(C(=O)C[NH2+]C(C)C)C[C@H]1C[NH3+] ZINC000662582118 412228545 /nfs/dbraw/zinc/22/85/45/412228545.db2.gz MIHAKJPWMXMKMO-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH2+]C)C[C@H]1C[NH3+] ZINC000662582170 412228318 /nfs/dbraw/zinc/22/83/18/412228318.db2.gz NRZRRAXVIBSRJA-GMTAPVOTSA-N 2 0 243.351 -0.193 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH2+]C)C[C@H]1C[NH3+] ZINC000662582171 412229012 /nfs/dbraw/zinc/22/90/12/412229012.db2.gz NRZRRAXVIBSRJA-OUAUKWLOSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000662583400 412228270 /nfs/dbraw/zinc/22/82/70/412228270.db2.gz ZITYLNRRZCQWCP-JTQLQIEISA-N 2 0 243.351 -0.016 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000662586027 412229926 /nfs/dbraw/zinc/22/99/26/412229926.db2.gz OITUKAAQAIJMIL-NTSWFWBYSA-N 2 0 227.230 -0.010 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000662586029 412230040 /nfs/dbraw/zinc/23/00/40/412230040.db2.gz OITUKAAQAIJMIL-PHDIDXHHSA-N 2 0 227.230 -0.010 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000662586032 412227709 /nfs/dbraw/zinc/22/77/09/412227709.db2.gz OITUKAAQAIJMIL-RITPCOANSA-N 2 0 227.230 -0.010 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000662586035 412227369 /nfs/dbraw/zinc/22/73/69/412227369.db2.gz OITUKAAQAIJMIL-WDSKDSINSA-N 2 0 227.230 -0.010 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662601207 409776496 /nfs/dbraw/zinc/77/64/96/409776496.db2.gz GIPDHMHRBKSBPB-VIFPVBQESA-N 2 0 231.340 -0.066 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662602886 409776140 /nfs/dbraw/zinc/77/61/40/409776140.db2.gz RTGBYDAVSWXAHT-CABZTGNLSA-N 2 0 241.335 -0.582 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@H](N)CC[NH+](C)C ZINC000662603573 412236636 /nfs/dbraw/zinc/23/66/36/412236636.db2.gz XHRKZPMOULEDSJ-SECBINFHSA-N 2 0 230.356 -0.539 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)CC[NH+](C)C ZINC000662603574 412236705 /nfs/dbraw/zinc/23/67/05/412236705.db2.gz XHRKZPMOULEDSJ-VIFPVBQESA-N 2 0 230.356 -0.539 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)COCC[NH3+] ZINC000662604093 412236664 /nfs/dbraw/zinc/23/66/64/412236664.db2.gz BDYXWTDUWRUNDH-UHFFFAOYSA-N 2 0 203.286 -0.843 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)CCOC1C[NH2+]C1 ZINC000662604119 412235856 /nfs/dbraw/zinc/23/58/56/412235856.db2.gz BMTMIIOZDSBKDY-UHFFFAOYSA-N 2 0 229.324 -0.439 20 0 BBADRP COC[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604126 412235985 /nfs/dbraw/zinc/23/59/85/412235985.db2.gz BPWASQHPQBEYLO-ZETCQYMHSA-N 2 0 203.286 -0.844 20 0 BBADRP COC[C@@]1(C(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]C1 ZINC000662604991 412237782 /nfs/dbraw/zinc/23/77/82/412237782.db2.gz IAJLBXSZMYYFAY-GFCCVEGCSA-N 2 0 243.351 -0.192 20 0 BBADRP COC[C@]1(C(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]C1 ZINC000662604992 412237582 /nfs/dbraw/zinc/23/75/82/412237582.db2.gz IAJLBXSZMYYFAY-LBPRGKRZSA-N 2 0 243.351 -0.192 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)COC1CC[NH2+]CC1 ZINC000662605455 409781071 /nfs/dbraw/zinc/78/10/71/409781071.db2.gz OFJUCGVEYVKJOQ-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662605492 412237276 /nfs/dbraw/zinc/23/72/76/412237276.db2.gz PELORNAGRKHSPL-MRVPVSSYSA-N 2 0 217.313 -0.454 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662605495 412237264 /nfs/dbraw/zinc/23/72/64/412237264.db2.gz PELORNAGRKHSPL-QMMMGPOBSA-N 2 0 217.313 -0.454 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[NH2+]CCO1 ZINC000662605714 412237706 /nfs/dbraw/zinc/23/77/06/412237706.db2.gz QVHLHWKMNUPNTO-MRVPVSSYSA-N 2 0 215.297 -0.830 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[NH2+]CCO1 ZINC000662605715 412237363 /nfs/dbraw/zinc/23/73/63/412237363.db2.gz QVHLHWKMNUPNTO-QMMMGPOBSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[NH2+]CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662605893 409781477 /nfs/dbraw/zinc/78/14/77/409781477.db2.gz TWEAHRBXNNEWFM-UHFFFAOYSA-N 2 0 217.313 -0.582 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC000662605908 412237623 /nfs/dbraw/zinc/23/76/23/412237623.db2.gz UKAMUMSBTGSBSD-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)C[C@H]1COCC[NH2+]1 ZINC000662605909 412237647 /nfs/dbraw/zinc/23/76/47/412237647.db2.gz UKAMUMSBTGSBSD-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662605983 412237785 /nfs/dbraw/zinc/23/77/85/412237785.db2.gz WGPGHESWZFXYBW-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)C[C@H]1C[NH2+]CCO1 ZINC000662605984 412237389 /nfs/dbraw/zinc/23/73/89/412237389.db2.gz WGPGHESWZFXYBW-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000662612272 487672280 /nfs/dbraw/zinc/67/22/80/487672280.db2.gz NQVNQQJZYDYVFD-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000662612273 487672141 /nfs/dbraw/zinc/67/21/41/487672141.db2.gz NQVNQQJZYDYVFD-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)COCC[NH3+])C1 ZINC000662623684 412245925 /nfs/dbraw/zinc/24/59/25/412245925.db2.gz ZWOQLDATVAYQHB-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000662623686 412246455 /nfs/dbraw/zinc/24/64/55/412246455.db2.gz ZWOQLDATVAYQHB-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]1CN(CCNC(=O)CCC[NH3+])[C@H](C)CO1 ZINC000662629395 412249252 /nfs/dbraw/zinc/24/92/52/412249252.db2.gz DDESJDRCWQYBOK-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)CCC[NH3+] ZINC000662629398 412249286 /nfs/dbraw/zinc/24/92/86/412249286.db2.gz DDESJDRCWQYBOK-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]1CN(CCNC(=O)CCC[NH3+])[C@@H](C)CO1 ZINC000662629401 412248789 /nfs/dbraw/zinc/24/87/89/412248789.db2.gz DDESJDRCWQYBOK-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]1CN(CCNC(=O)CCC[NH3+])[C@@H](C)CO1 ZINC000662629402 412249273 /nfs/dbraw/zinc/24/92/73/412249273.db2.gz DDESJDRCWQYBOK-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NCCN(C)CCC[NH+](C)C ZINC000662629763 409801368 /nfs/dbraw/zinc/80/13/68/409801368.db2.gz BHKFICMGLQSYGM-LLVKDONJSA-N 2 0 244.383 -0.277 20 0 BBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000662630335 412249107 /nfs/dbraw/zinc/24/91/07/412249107.db2.gz CKUYJBFUISSKRA-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000662630352 412250203 /nfs/dbraw/zinc/25/02/03/412250203.db2.gz CRYNVUJHIDGNGD-NSHDSACASA-N 2 0 244.383 -0.406 20 0 BBADRP CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)[NH3+] ZINC000662630884 412249743 /nfs/dbraw/zinc/24/97/43/412249743.db2.gz IJDRLETVXAITRM-UHFFFAOYSA-N 2 0 244.383 -0.277 20 0 BBADRP CC[C@H]([NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632258 412250241 /nfs/dbraw/zinc/25/02/41/412250241.db2.gz OPEYCWWLDGPHEQ-NSHDSACASA-N 2 0 244.383 -0.277 20 0 BBADRP C[C@H](C[NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632266 412250305 /nfs/dbraw/zinc/25/03/05/412250305.db2.gz OQPJUUAAQQQGHA-LLVKDONJSA-N 2 0 244.383 -0.419 20 0 BBADRP C[C@@H](C[NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000662632283 412249976 /nfs/dbraw/zinc/24/99/76/412249976.db2.gz OQPJUUAAQQQGHA-NSHDSACASA-N 2 0 244.383 -0.419 20 0 BBADRP C[NH2+]CC(=O)NCCN(C)CCC[NH+](C)C ZINC000662632338 409803850 /nfs/dbraw/zinc/80/38/50/409803850.db2.gz CESVSFODLPZEOK-UHFFFAOYSA-N 2 0 230.356 -0.795 20 0 BBADRP C[C@H](CCNC(=O)C[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000662632501 409804604 /nfs/dbraw/zinc/80/46/04/409804604.db2.gz DBTOZRLSBGLNQM-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CCNC(=O)C[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000662632502 409804123 /nfs/dbraw/zinc/80/41/23/409804123.db2.gz DBTOZRLSBGLNQM-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CCNC(=O)C[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000662632503 409804819 /nfs/dbraw/zinc/80/48/19/409804819.db2.gz DBTOZRLSBGLNQM-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CCNC(=O)C[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000662632504 409804042 /nfs/dbraw/zinc/80/40/42/409804042.db2.gz DBTOZRLSBGLNQM-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632525 409804274 /nfs/dbraw/zinc/80/42/74/409804274.db2.gz DJYREUNXRREJPN-BDAKNGLRSA-N 2 0 217.313 -0.584 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662632527 409804216 /nfs/dbraw/zinc/80/42/16/409804216.db2.gz DJYREUNXRREJPN-IUCAKERBSA-N 2 0 217.313 -0.584 20 0 BBADRP C[C@H](CCNC(=O)COCC[NH3+])[NH+](C)C ZINC000662632538 412250608 /nfs/dbraw/zinc/25/06/08/412250608.db2.gz DNQMPDJCNWKGPU-SECBINFHSA-N 2 0 217.313 -0.582 20 0 BBADRP C[C@@H](CCNC(=O)COCC[NH3+])[NH+](C)C ZINC000662632539 412249912 /nfs/dbraw/zinc/24/99/12/412249912.db2.gz DNQMPDJCNWKGPU-VIFPVBQESA-N 2 0 217.313 -0.582 20 0 BBADRP C[NH2+]CCC(=O)NCCN(C)CCC[NH+](C)C ZINC000662632883 412250121 /nfs/dbraw/zinc/25/01/21/412250121.db2.gz VQQHHINOYYCSNV-UHFFFAOYSA-N 2 0 244.383 -0.404 20 0 BBADRP CN(CCC[NH+](C)C)CCNC(=O)CCC[NH3+] ZINC000662632970 412251052 /nfs/dbraw/zinc/25/10/52/412251052.db2.gz WOYJUTGHYGAFNH-UHFFFAOYSA-N 2 0 244.383 -0.275 20 0 BBADRP C[C@H](CCNC(=O)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000662633441 487681046 /nfs/dbraw/zinc/68/10/46/487681046.db2.gz LBLOLRATBRIWFK-NXEZZACHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](CCNC(=O)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000662633442 487681185 /nfs/dbraw/zinc/68/11/85/487681185.db2.gz LBLOLRATBRIWFK-UWVGGRQHSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@@H](CCNC(=O)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000662633443 487681100 /nfs/dbraw/zinc/68/11/00/487681100.db2.gz LBLOLRATBRIWFK-VHSXEESVSA-N 2 0 229.324 -0.569 20 0 BBADRP C[C@H](CCNC(=O)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000662633448 409807667 /nfs/dbraw/zinc/80/76/67/409807667.db2.gz LBLOLRATBRIWFK-ZJUUUORDSA-N 2 0 229.324 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)NCC[C@H](C)[NH+](C)C ZINC000662633523 412250992 /nfs/dbraw/zinc/25/09/92/412250992.db2.gz MCEAZPJQSRTJRK-JTQLQIEISA-N 2 0 231.340 -0.321 20 0 BBADRP COCC[NH2+]CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633524 412250999 /nfs/dbraw/zinc/25/09/99/412250999.db2.gz MCEAZPJQSRTJRK-SNVBAGLBSA-N 2 0 231.340 -0.321 20 0 BBADRP C[C@H]([NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000662633633 412251291 /nfs/dbraw/zinc/25/12/91/412251291.db2.gz MYJAGXMSPDFZNJ-JTQLQIEISA-N 2 0 230.356 -0.667 20 0 BBADRP C[C@@H]([NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000662633634 412251810 /nfs/dbraw/zinc/25/18/10/412251810.db2.gz MYJAGXMSPDFZNJ-SNVBAGLBSA-N 2 0 230.356 -0.667 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000662633725 412248531 /nfs/dbraw/zinc/24/85/31/412248531.db2.gz OPEYCWWLDGPHEQ-LLVKDONJSA-N 3 0 244.383 -0.277 20 0 BBADRP C[C@H](CCNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000662633726 409806602 /nfs/dbraw/zinc/80/66/02/409806602.db2.gz ORKWBIXVWHWXMV-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CCNC(=O)C[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000662633727 409807741 /nfs/dbraw/zinc/80/77/41/409807741.db2.gz ORKWBIXVWHWXMV-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CCNC(=O)C[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000662633728 409807007 /nfs/dbraw/zinc/80/70/07/409807007.db2.gz ORKWBIXVWHWXMV-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CCNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000662633729 409806293 /nfs/dbraw/zinc/80/62/93/409806293.db2.gz ORKWBIXVWHWXMV-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CCNC(=O)CCOC1C[NH2+]C1)[NH+](C)C ZINC000662634533 409806010 /nfs/dbraw/zinc/80/60/10/409806010.db2.gz SGTYERUITFWMNS-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CCNC(=O)CCOC1C[NH2+]C1)[NH+](C)C ZINC000662634538 409807774 /nfs/dbraw/zinc/80/77/74/409807774.db2.gz SGTYERUITFWMNS-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CCNC(=O)[C@H](N)CC[NH+](C)C)[NH+](C)C ZINC000662634838 412251185 /nfs/dbraw/zinc/25/11/85/412251185.db2.gz SOLUAGLTOZMKRQ-GHMZBOCLSA-N 2 0 244.383 -0.278 20 0 BBADRP C[C@H](CCNC(=O)[C@@H](N)CC[NH+](C)C)[NH+](C)C ZINC000662634845 412251240 /nfs/dbraw/zinc/25/12/40/412251240.db2.gz SOLUAGLTOZMKRQ-MNOVXSKESA-N 2 0 244.383 -0.278 20 0 BBADRP C[C@@H](CCNC(=O)[C@@H](N)CC[NH+](C)C)[NH+](C)C ZINC000662634851 412251403 /nfs/dbraw/zinc/25/14/03/412251403.db2.gz SOLUAGLTOZMKRQ-QWRGUYRKSA-N 2 0 244.383 -0.278 20 0 BBADRP C[C@@H](CCNC(=O)[C@H](N)CC[NH+](C)C)[NH+](C)C ZINC000662634858 412251726 /nfs/dbraw/zinc/25/17/26/412251726.db2.gz SOLUAGLTOZMKRQ-WDEREUQCSA-N 2 0 244.383 -0.278 20 0 BBADRP CN(CCC[NH+](C)C)CCNC(=O)CC[NH3+] ZINC000662635026 409806379 /nfs/dbraw/zinc/80/63/79/409806379.db2.gz TZSNFRFIMLCXPU-UHFFFAOYSA-N 2 0 230.356 -0.665 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662636069 412253019 /nfs/dbraw/zinc/25/30/19/412253019.db2.gz XTKMSZZADHACQV-NXEZZACHSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[C@H](C)[NH+](C)C ZINC000662636072 412252251 /nfs/dbraw/zinc/25/22/51/412252251.db2.gz XTKMSZZADHACQV-UWVGGRQHSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[C@H](C)[NH+](C)C ZINC000662636074 412252699 /nfs/dbraw/zinc/25/26/99/412252699.db2.gz XTKMSZZADHACQV-VHSXEESVSA-N 2 0 231.340 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662636077 412252573 /nfs/dbraw/zinc/25/25/73/412252573.db2.gz XTKMSZZADHACQV-ZJUUUORDSA-N 2 0 231.340 -0.193 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662639450 412252631 /nfs/dbraw/zinc/25/26/31/412252631.db2.gz BCCCKZXQAJQVBF-ATZCPNFKSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662639452 412252980 /nfs/dbraw/zinc/25/29/80/412252980.db2.gz BCCCKZXQAJQVBF-IQJOONFLSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662639454 412252299 /nfs/dbraw/zinc/25/22/99/412252299.db2.gz BCCCKZXQAJQVBF-NGZCFLSTSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662639455 412252543 /nfs/dbraw/zinc/25/25/43/412252543.db2.gz BCCCKZXQAJQVBF-QXEWZRGKSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662641388 412253946 /nfs/dbraw/zinc/25/39/46/412253946.db2.gz GPEVOZWNBOPAIH-AXFHLTTASA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662641389 412253481 /nfs/dbraw/zinc/25/34/81/412253481.db2.gz GPEVOZWNBOPAIH-DCAQKATOSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662641390 412254046 /nfs/dbraw/zinc/25/40/46/412254046.db2.gz GPEVOZWNBOPAIH-GARJFASQSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662641391 412253827 /nfs/dbraw/zinc/25/38/27/412253827.db2.gz GPEVOZWNBOPAIH-HBNTYKKESA-N 2 0 223.320 -0.005 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000662647682 412255055 /nfs/dbraw/zinc/25/50/55/412255055.db2.gz QTNKVLBSYVQOER-JTQLQIEISA-N 2 0 242.367 -0.347 20 0 BBADRP C[NH+](C)CC[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000662647683 412254969 /nfs/dbraw/zinc/25/49/69/412254969.db2.gz QTNKVLBSYVQOER-SNVBAGLBSA-N 2 0 242.367 -0.347 20 0 BBADRP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000662648172 412255886 /nfs/dbraw/zinc/25/58/86/412255886.db2.gz GKZPYBLTHVPIPK-SECBINFHSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000662648174 412256001 /nfs/dbraw/zinc/25/60/01/412256001.db2.gz GKZPYBLTHVPIPK-VIFPVBQESA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]CCOCC(=O)NCC1([NH3+])CCCC1 ZINC000662648836 487685097 /nfs/dbraw/zinc/68/50/97/487685097.db2.gz KJAFYSDDSAAING-UHFFFAOYSA-N 2 0 215.297 -0.651 20 0 BBADRP COCC[NH2+]CC(=O)NCC1([NH3+])CCCC1 ZINC000662649148 412256334 /nfs/dbraw/zinc/25/63/34/412256334.db2.gz MFTXEJVRCFEYAA-UHFFFAOYSA-N 2 0 229.324 -0.390 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC1([NH3+])CCCC1 ZINC000662649455 412255897 /nfs/dbraw/zinc/25/58/97/412255897.db2.gz PVLVTRQDBVHNBD-SECBINFHSA-N 2 0 229.324 -0.262 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC1([NH3+])CCCC1 ZINC000662649456 412256182 /nfs/dbraw/zinc/25/61/82/412256182.db2.gz PVLVTRQDBVHNBD-VIFPVBQESA-N 2 0 229.324 -0.262 20 0 BBADRP CC1(C(=O)NCC2([NH3+])CCCC2)C[NH2+]C1 ZINC000662649745 412255948 /nfs/dbraw/zinc/25/59/48/412255948.db2.gz RUCDWMXLJKTAKV-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]C1(CNC(=O)C[C@H]2COCC[NH2+]2)CCCC1 ZINC000662649782 412256156 /nfs/dbraw/zinc/25/61/56/412256156.db2.gz SFJCAQVUFFUGBZ-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCCC1 ZINC000662649785 412256754 /nfs/dbraw/zinc/25/67/54/412256754.db2.gz SFJCAQVUFFUGBZ-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(CNC(=O)CCOC2C[NH2+]C2)CCCC1 ZINC000662650314 412257258 /nfs/dbraw/zinc/25/72/58/412257258.db2.gz ZRELVRHEWCGRJI-UHFFFAOYSA-N 2 0 241.335 -0.247 20 0 BBADRP CC[NH+](CC)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662658889 412260022 /nfs/dbraw/zinc/26/00/22/412260022.db2.gz LIKHPYQJVVWOJL-UHFFFAOYSA-N 2 0 229.324 -0.831 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662659532 412259794 /nfs/dbraw/zinc/25/97/94/412259794.db2.gz NAQLJPBDTHCFFE-GHMZBOCLSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662659533 412259600 /nfs/dbraw/zinc/25/96/00/412259600.db2.gz NAQLJPBDTHCFFE-MNOVXSKESA-N 2 0 243.351 -0.192 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662659534 412259856 /nfs/dbraw/zinc/25/98/56/412259856.db2.gz NAQLJPBDTHCFFE-QWRGUYRKSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662659535 412259363 /nfs/dbraw/zinc/25/93/63/412259363.db2.gz NAQLJPBDTHCFFE-WDEREUQCSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662659928 412261233 /nfs/dbraw/zinc/26/12/33/412261233.db2.gz QEXOTWGHGAGFJB-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662659929 412261516 /nfs/dbraw/zinc/26/15/16/412261516.db2.gz QEXOTWGHGAGFJB-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662659930 412260873 /nfs/dbraw/zinc/26/08/73/412260873.db2.gz QEXOTWGHGAGFJB-VHSXEESVSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662659931 412261202 /nfs/dbraw/zinc/26/12/02/412261202.db2.gz QEXOTWGHGAGFJB-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH+](C)CC(C)(C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662660840 412261211 /nfs/dbraw/zinc/26/12/11/412261211.db2.gz HOGVNZDZCZIZQT-UHFFFAOYSA-N 2 0 229.324 -0.975 20 0 BBADRP CC(C)[NH+](CCNC(=O)C1(O)C[NH2+]C1)C(C)C ZINC000662661279 412260758 /nfs/dbraw/zinc/26/07/58/412260758.db2.gz NRSNOEUQJIFZEM-UHFFFAOYSA-N 2 0 243.351 -0.444 20 0 BBADRP C[NH+](C)C1(CNC(=O)C2(O)C[NH2+]C2)CCCC1 ZINC000662661662 412260686 /nfs/dbraw/zinc/26/06/86/412260686.db2.gz HIOMVLJRFJRHSI-UHFFFAOYSA-N 2 0 241.335 -0.689 20 0 BBADRP C[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662662304 412261910 /nfs/dbraw/zinc/26/19/10/412261910.db2.gz PPHHRFZBQWDXDC-KYZUINATSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662664466 412263585 /nfs/dbraw/zinc/26/35/85/412263585.db2.gz XZNSBHNKPLLDKH-NXEZZACHSA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662664468 412263193 /nfs/dbraw/zinc/26/31/93/412263193.db2.gz XZNSBHNKPLLDKH-UWVGGRQHSA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662664469 409821384 /nfs/dbraw/zinc/82/13/84/409821384.db2.gz XZNSBHNKPLLDKH-VHSXEESVSA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662664470 409820874 /nfs/dbraw/zinc/82/08/74/409820874.db2.gz XZNSBHNKPLLDKH-ZJUUUORDSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)C[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662667211 412266292 /nfs/dbraw/zinc/26/62/92/412266292.db2.gz ZZTAWNQOZDVECZ-UHFFFAOYSA-N 2 0 241.335 -0.879 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000662668523 412266118 /nfs/dbraw/zinc/26/61/18/412266118.db2.gz NYKCTUJPWRCWIS-MGCOHNPYSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000662668723 412266461 /nfs/dbraw/zinc/26/64/61/412266461.db2.gz QCZAVBNFRZTOKO-GHMZBOCLSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000662668724 412266408 /nfs/dbraw/zinc/26/64/08/412266408.db2.gz QCZAVBNFRZTOKO-MNOVXSKESA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000662668725 412265930 /nfs/dbraw/zinc/26/59/30/412265930.db2.gz QCZAVBNFRZTOKO-QWRGUYRKSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000662668726 412266155 /nfs/dbraw/zinc/26/61/55/412266155.db2.gz QCZAVBNFRZTOKO-WDEREUQCSA-N 2 0 241.335 -0.438 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000662669309 412265885 /nfs/dbraw/zinc/26/58/85/412265885.db2.gz WVSZXMVWZDSLJF-NSHDSACASA-N 2 0 243.351 -0.049 20 0 BBADRP CCC[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662670733 412265951 /nfs/dbraw/zinc/26/59/51/412265951.db2.gz ILAXQYDUSHIAQV-UHFFFAOYSA-N 2 0 241.335 -0.689 20 0 BBADRP O=C(NC1CC[NH+](C2CC2)CC1)C1(O)C[NH2+]C1 ZINC000662671659 412266449 /nfs/dbraw/zinc/26/64/49/412266449.db2.gz PSHHDIFAMSVKER-UHFFFAOYSA-N 2 0 239.319 -0.936 20 0 BBADRP O=C(NCCC[NH+]1CCCCC1)C1(O)C[NH2+]C1 ZINC000662671892 412266473 /nfs/dbraw/zinc/26/64/73/412266473.db2.gz PVJPTJYBQPRBPF-UHFFFAOYSA-N 2 0 241.335 -0.687 20 0 BBADRP CC(C)C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[NH+](C)C ZINC000662672527 412265798 /nfs/dbraw/zinc/26/57/98/412265798.db2.gz ARNSQWNONGMBAM-JTQLQIEISA-N 2 0 243.351 -0.587 20 0 BBADRP CC(C)C[C@H](CNC(=O)C1(O)C[NH2+]C1)[NH+](C)C ZINC000662672528 412265589 /nfs/dbraw/zinc/26/55/89/412265589.db2.gz ARNSQWNONGMBAM-SNVBAGLBSA-N 2 0 243.351 -0.587 20 0 BBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662673978 412266928 /nfs/dbraw/zinc/26/69/28/412266928.db2.gz UQIMGGVMXIHFEY-JTQLQIEISA-N 2 0 241.335 -0.737 20 0 BBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662673979 412266922 /nfs/dbraw/zinc/26/69/22/412266922.db2.gz UQIMGGVMXIHFEY-SNVBAGLBSA-N 2 0 241.335 -0.737 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCC[NH2+]1 ZINC000662674301 409830011 /nfs/dbraw/zinc/83/00/11/409830011.db2.gz ACRUZYCWTAWCOL-INWMGODYSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000662674302 409829680 /nfs/dbraw/zinc/82/96/80/409829680.db2.gz ACRUZYCWTAWCOL-YUCVTWSNSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)C[NH2+]C1CC1 ZINC000662674937 412267401 /nfs/dbraw/zinc/26/74/01/412267401.db2.gz HIAZJWUHLQSDRR-UHFFFAOYSA-N 2 0 209.293 -0.312 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662675988 412267490 /nfs/dbraw/zinc/26/74/90/412267490.db2.gz SGEIGWKUTDGHIU-YUCVTWSNSA-N 2 0 211.309 -0.081 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680255 412268120 /nfs/dbraw/zinc/26/81/20/412268120.db2.gz IJFGERPMDAIMGC-FKTRJACZSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680256 412268550 /nfs/dbraw/zinc/26/85/50/412268550.db2.gz IJFGERPMDAIMGC-SILCLGDVSA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662680526 412268598 /nfs/dbraw/zinc/26/85/98/412268598.db2.gz IPRVFGYVSCFJFS-SQLBVSGCSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@H]1C[NH2+]CCO1 ZINC000662680527 412268014 /nfs/dbraw/zinc/26/80/14/412268014.db2.gz IPRVFGYVSCFJFS-YZRBJQDESA-N 2 0 239.319 -0.685 20 0 BBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662680532 409830381 /nfs/dbraw/zinc/83/03/81/409830381.db2.gz ITIQSKKHQOSCPZ-JTQLQIEISA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662680533 409830089 /nfs/dbraw/zinc/83/00/89/409830089.db2.gz ITIQSKKHQOSCPZ-SNVBAGLBSA-N 2 0 241.335 -0.689 20 0 BBADRP CC1CC[NH+](CCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662680770 412268242 /nfs/dbraw/zinc/26/82/42/412268242.db2.gz YAZIJJQGRFTNQV-UHFFFAOYSA-N 2 0 241.335 -0.831 20 0 BBADRP C[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)CC[NH2+]C1 ZINC000662680896 412268397 /nfs/dbraw/zinc/26/83/97/412268397.db2.gz OAFDRKKEJDICAH-CKBZRRDASA-N 2 0 223.320 -0.064 20 0 BBADRP C[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)CC[NH2+]C1 ZINC000662680898 412268099 /nfs/dbraw/zinc/26/80/99/412268099.db2.gz OAFDRKKEJDICAH-ZYXZCXLHSA-N 2 0 223.320 -0.064 20 0 BBADRP C[C@H]1CCC[N@H+](CCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662680956 412268828 /nfs/dbraw/zinc/26/88/28/412268828.db2.gz PQRSDLOPFDZEGJ-JTQLQIEISA-N 2 0 241.335 -0.831 20 0 BBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662680957 412268813 /nfs/dbraw/zinc/26/88/13/412268813.db2.gz PQRSDLOPFDZEGJ-SNVBAGLBSA-N 2 0 241.335 -0.831 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)C[NH2+]CC1CC1 ZINC000662681021 412268168 /nfs/dbraw/zinc/26/81/68/412268168.db2.gz RUPQGDFAHRKZQY-UHFFFAOYSA-N 2 0 223.320 -0.064 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681041 409830582 /nfs/dbraw/zinc/83/05/82/409830582.db2.gz SGEIGWKUTDGHIU-INWMGODYSA-N 2 0 211.309 -0.081 20 0 BBADRP COCC[NH2+]CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681106 412269641 /nfs/dbraw/zinc/26/96/41/412269641.db2.gz UIAYIBMLPOGKJE-UHFFFAOYSA-N 2 0 227.308 -0.828 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC[NH2+]C1 ZINC000662681411 412269181 /nfs/dbraw/zinc/26/91/81/412269181.db2.gz ZWJMDQWVZXYDJE-SQLBVSGCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)C1([NH3+])CCC1 ZINC000662681981 412269953 /nfs/dbraw/zinc/26/99/53/412269953.db2.gz IRNGEMCTOZKPED-UHFFFAOYSA-N 2 0 209.293 -0.183 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681983 412269265 /nfs/dbraw/zinc/26/92/65/412269265.db2.gz ITEACAVDYWJBEA-BFWVQVCMSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)[C@H](C)[NH3+] ZINC000662681985 412269828 /nfs/dbraw/zinc/26/98/28/412269828.db2.gz ITEACAVDYWJBEA-KZNVNZARSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681988 412269730 /nfs/dbraw/zinc/26/97/30/412269730.db2.gz ITEACAVDYWJBEA-OQVRZCNBSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681989 412269589 /nfs/dbraw/zinc/26/95/89/412269589.db2.gz ITEACAVDYWJBEA-PCWJGIJCSA-N 2 0 211.309 -0.081 20 0 BBADRP CC(C)(C[NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662682001 412269380 /nfs/dbraw/zinc/26/93/80/412269380.db2.gz JCYDRGMSXRVIAK-UHFFFAOYSA-N 2 0 211.309 -0.079 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662682290 412269710 /nfs/dbraw/zinc/26/97/10/412269710.db2.gz QMQZGAOEGCMYQD-GUBZILKMSA-N 2 0 211.309 -0.208 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662682291 412269504 /nfs/dbraw/zinc/26/95/04/412269504.db2.gz QMQZGAOEGCMYQD-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP CC[NH+](CC)CCCCNC(=O)C1(O)C[NH2+]C1 ZINC000662682496 412269928 /nfs/dbraw/zinc/26/99/28/412269928.db2.gz IHNUHADLLNKTRZ-UHFFFAOYSA-N 2 0 243.351 -0.441 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662682807 412269212 /nfs/dbraw/zinc/26/92/12/412269212.db2.gz JCXJWTLZIDQRQI-INWMGODYSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662682808 412269430 /nfs/dbraw/zinc/26/94/30/412269430.db2.gz JCXJWTLZIDQRQI-YUCVTWSNSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662683125 409833872 /nfs/dbraw/zinc/83/38/72/409833872.db2.gz WNFSIFFOWFQMBM-UWVGGRQHSA-N 2 0 239.319 -0.936 20 0 BBADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(O)C[NH2+]C1 ZINC000662683126 409831731 /nfs/dbraw/zinc/83/17/31/409831731.db2.gz WNFSIFFOWFQMBM-VHSXEESVSA-N 2 0 239.319 -0.936 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000662683127 409834436 /nfs/dbraw/zinc/83/44/36/409834436.db2.gz WNFSIFFOWFQMBM-ZJUUUORDSA-N 2 0 239.319 -0.936 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662683202 412269385 /nfs/dbraw/zinc/26/93/85/412269385.db2.gz PFJGMOWIEVNDDY-CXFXUWLJSA-N 2 0 235.331 -0.064 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662683206 412269790 /nfs/dbraw/zinc/26/97/90/412269790.db2.gz PFJGMOWIEVNDDY-FYLGKEKYSA-N 2 0 235.331 -0.064 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662683208 412269192 /nfs/dbraw/zinc/26/91/92/412269192.db2.gz PFJGMOWIEVNDDY-JKFXUVRWSA-N 2 0 235.331 -0.064 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662683210 409832427 /nfs/dbraw/zinc/83/24/27/409832427.db2.gz PFJGMOWIEVNDDY-QCNJJUDDSA-N 2 0 235.331 -0.064 20 0 BBADRP C[NH2+]CCCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683297 412269337 /nfs/dbraw/zinc/26/93/37/412269337.db2.gz QZFZANKFYAUDSK-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683659 412269783 /nfs/dbraw/zinc/26/97/83/412269783.db2.gz VJTHADDHLHBSOR-DKZWSVDFSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683660 412269947 /nfs/dbraw/zinc/26/99/47/412269947.db2.gz VJTHADDHLHBSOR-GWFPEYJASA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683661 412269467 /nfs/dbraw/zinc/26/94/67/412269467.db2.gz VJTHADDHLHBSOR-HUXNSBQSSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683662 412269715 /nfs/dbraw/zinc/26/97/15/412269715.db2.gz VJTHADDHLHBSOR-ZSWLNHAKSA-N 2 0 223.320 -0.066 20 0 BBADRP CC1(C(=O)N2CC3CC2(C[NH3+])C3)C[NH2+]C1 ZINC000662683836 409832542 /nfs/dbraw/zinc/83/25/42/409832542.db2.gz VPELICXOSCEMOW-UHFFFAOYSA-N 2 0 209.293 -0.454 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662684058 412270779 /nfs/dbraw/zinc/27/07/79/412270779.db2.gz WSECOPBUJSJEFJ-UHFFFAOYSA-N 2 0 211.309 -0.066 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662684278 409832797 /nfs/dbraw/zinc/83/27/97/409832797.db2.gz ZMAWUIVYCKWTDO-NBBOBHDQSA-N 2 0 223.320 -0.066 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662684279 409834393 /nfs/dbraw/zinc/83/43/93/409834393.db2.gz ZMAWUIVYCKWTDO-XEVUQIKYSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)CCOC1C[NH2+]C1 ZINC000662684302 412270910 /nfs/dbraw/zinc/27/09/10/412270910.db2.gz ZRNZRSSZDFIJCP-UHFFFAOYSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@@H]1COCC[NH2+]1 ZINC000662684322 409834358 /nfs/dbraw/zinc/83/43/58/409834358.db2.gz ZXGDNEABGLSFCQ-SQLBVSGCSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@H]1COCC[NH2+]1 ZINC000662684325 409834577 /nfs/dbraw/zinc/83/45/77/409834577.db2.gz ZXGDNEABGLSFCQ-YZRBJQDESA-N 2 0 239.319 -0.685 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662684427 409833902 /nfs/dbraw/zinc/83/39/02/409833902.db2.gz YPUAHSQABREBDA-YZRBJQDESA-N 2 0 241.335 -0.312 20 0 BBADRP C[NH+](C)CC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662684639 409832776 /nfs/dbraw/zinc/83/27/76/409832776.db2.gz YJGZCQCUMBTJAR-UHFFFAOYSA-N 2 0 241.335 -0.879 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(O)C[NH2+]C1 ZINC000662689444 412271606 /nfs/dbraw/zinc/27/16/06/412271606.db2.gz VAODSDNZSPJAQU-NXEZZACHSA-N 2 0 239.319 -0.936 20 0 BBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1(O)C[NH2+]C1 ZINC000662689445 412271684 /nfs/dbraw/zinc/27/16/84/412271684.db2.gz VAODSDNZSPJAQU-UWVGGRQHSA-N 2 0 239.319 -0.936 20 0 BBADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1(O)C[NH2+]C1 ZINC000662689446 412272129 /nfs/dbraw/zinc/27/21/29/412272129.db2.gz VAODSDNZSPJAQU-VHSXEESVSA-N 2 0 239.319 -0.936 20 0 BBADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1(O)C[NH2+]C1 ZINC000662689447 412271933 /nfs/dbraw/zinc/27/19/33/412271933.db2.gz VAODSDNZSPJAQU-ZJUUUORDSA-N 2 0 239.319 -0.936 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662690752 412273476 /nfs/dbraw/zinc/27/34/76/412273476.db2.gz BURVYPMKGFKFCY-SECBINFHSA-N 2 0 229.324 -0.833 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662690754 412273078 /nfs/dbraw/zinc/27/30/78/412273078.db2.gz BURVYPMKGFKFCY-VIFPVBQESA-N 2 0 229.324 -0.833 20 0 BBADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662691357 409836821 /nfs/dbraw/zinc/83/68/21/409836821.db2.gz HEUMWCOYRCYVFY-JTQLQIEISA-N 2 0 241.335 -0.833 20 0 BBADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662691358 409835252 /nfs/dbraw/zinc/83/52/52/409835252.db2.gz HEUMWCOYRCYVFY-SNVBAGLBSA-N 2 0 241.335 -0.833 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662692056 412273502 /nfs/dbraw/zinc/27/35/02/412273502.db2.gz MSJXFXALNULBPB-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662692058 412273393 /nfs/dbraw/zinc/27/33/93/412273393.db2.gz MSJXFXALNULBPB-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662692059 412273741 /nfs/dbraw/zinc/27/37/41/412273741.db2.gz MSJXFXALNULBPB-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662692061 412273405 /nfs/dbraw/zinc/27/34/05/412273405.db2.gz MSJXFXALNULBPB-HBNTYKKESA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662694397 412274202 /nfs/dbraw/zinc/27/42/02/412274202.db2.gz VEVWYZKGBXIMDH-GUBZILKMSA-N 2 0 211.309 -0.066 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662694398 412274542 /nfs/dbraw/zinc/27/45/42/412274542.db2.gz VEVWYZKGBXIMDH-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[N@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000662696034 412274870 /nfs/dbraw/zinc/27/48/70/412274870.db2.gz GLFSOPYYRBJRKV-KYZUINATSA-N 2 0 211.309 -0.066 20 0 BBADRP C[N@H+](CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662696519 412274295 /nfs/dbraw/zinc/27/42/95/412274295.db2.gz MQYVFYFAMZXVFR-GHMZBOCLSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@H+](CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662696520 412274432 /nfs/dbraw/zinc/27/44/32/412274432.db2.gz MQYVFYFAMZXVFR-MNOVXSKESA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@H+](CCNC(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC1 ZINC000662696521 412274579 /nfs/dbraw/zinc/27/45/79/412274579.db2.gz MQYVFYFAMZXVFR-QWRGUYRKSA-N 2 0 241.335 -0.439 20 0 BBADRP C[N@H+](CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC1 ZINC000662696522 412274507 /nfs/dbraw/zinc/27/45/07/412274507.db2.gz MQYVFYFAMZXVFR-WDEREUQCSA-N 2 0 241.335 -0.439 20 0 BBADRP C[NH+]1CCC(CCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662698427 412275989 /nfs/dbraw/zinc/27/59/89/412275989.db2.gz RCPJOKKSKWPUEG-UHFFFAOYSA-N 2 0 241.335 -0.831 20 0 BBADRP C[C@@H]1CCN(C(=O)COCC[NH3+])[C@H](C[NH3+])C1 ZINC000662698704 412275453 /nfs/dbraw/zinc/27/54/53/412275453.db2.gz PWGLETNVVPVIKC-ZJUUUORDSA-N 2 0 229.324 -0.453 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662698811 412275878 /nfs/dbraw/zinc/27/58/78/412275878.db2.gz RLFFKQALLDSEJP-OUAUKWLOSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662698814 412275395 /nfs/dbraw/zinc/27/53/95/412275395.db2.gz RLFFKQALLDSEJP-VWYCJHECSA-N 2 0 243.351 -0.064 20 0 BBADRP C[C@H]1CN(CCNC(=O)CC2([NH3+])CC2)CCO1 ZINC000662701252 412275211 /nfs/dbraw/zinc/27/52/11/412275211.db2.gz NQCUHFOAZRWFAF-JTQLQIEISA-N 2 0 241.335 -0.295 20 0 BBADRP C[C@@H]1CN(CCNC(=O)CC2([NH3+])CC2)CCO1 ZINC000662701253 412275828 /nfs/dbraw/zinc/27/58/28/412275828.db2.gz NQCUHFOAZRWFAF-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP CC(C)[NH2+]CC(=O)NCCN1CCO[C@H](C)C1 ZINC000662702086 412275320 /nfs/dbraw/zinc/27/53/20/412275320.db2.gz XGQPIFGZPZHOGF-LLVKDONJSA-N 2 0 243.351 -0.179 20 0 BBADRP CC(C)[NH2+]CC(=O)NCCN1CCO[C@@H](C)C1 ZINC000662702087 412275700 /nfs/dbraw/zinc/27/57/00/412275700.db2.gz XGQPIFGZPZHOGF-NSHDSACASA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H]1CN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662702093 412275399 /nfs/dbraw/zinc/27/53/99/412275399.db2.gz XOMPIORGLOPUFT-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662702272 412275166 /nfs/dbraw/zinc/27/51/66/412275166.db2.gz XOMPIORGLOPUFT-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662702351 412275294 /nfs/dbraw/zinc/27/52/94/412275294.db2.gz ZIVZMOHDWQPRAK-UHFFFAOYSA-N 2 0 229.324 -0.831 20 0 BBADRP C[C@@H](NC(=O)C1(O)C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000662702713 412275462 /nfs/dbraw/zinc/27/54/62/412275462.db2.gz CWOSVJIPNAEMLH-SECBINFHSA-N 2 0 241.335 -0.833 20 0 BBADRP C[C@H](NC(=O)C1(O)C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000662702714 412275175 /nfs/dbraw/zinc/27/51/75/412275175.db2.gz CWOSVJIPNAEMLH-VIFPVBQESA-N 2 0 241.335 -0.833 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662704105 412276336 /nfs/dbraw/zinc/27/63/36/412276336.db2.gz YJYMMNAMRBFDMM-GMTAPVOTSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662704106 412276309 /nfs/dbraw/zinc/27/63/09/412276309.db2.gz YJYMMNAMRBFDMM-MXWKQRLJSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662704107 412276493 /nfs/dbraw/zinc/27/64/93/412276493.db2.gz YJYMMNAMRBFDMM-OUAUKWLOSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662704108 412276486 /nfs/dbraw/zinc/27/64/86/412276486.db2.gz YJYMMNAMRBFDMM-VWYCJHECSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662704371 412276370 /nfs/dbraw/zinc/27/63/70/412276370.db2.gz ZYKIOHOAFLXLFL-MGCOHNPYSA-N 2 0 229.324 -0.582 20 0 BBADRP O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1(O)C[NH2+]C1 ZINC000662709912 412278699 /nfs/dbraw/zinc/27/86/99/412278699.db2.gz UXXWAYDJEUKWHL-JTQLQIEISA-N 2 0 239.319 -0.983 20 0 BBADRP O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1(O)C[NH2+]C1 ZINC000662709913 412278462 /nfs/dbraw/zinc/27/84/62/412278462.db2.gz UXXWAYDJEUKWHL-SNVBAGLBSA-N 2 0 239.319 -0.983 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662710824 412278887 /nfs/dbraw/zinc/27/88/87/412278887.db2.gz JWROHKHYHRFOMB-SECBINFHSA-N 2 0 229.324 -0.833 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662710827 412278322 /nfs/dbraw/zinc/27/83/22/412278322.db2.gz JWROHKHYHRFOMB-VIFPVBQESA-N 2 0 229.324 -0.833 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662713108 412280111 /nfs/dbraw/zinc/28/01/11/412280111.db2.gz UUZDYKLHELBRAR-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662713109 412279816 /nfs/dbraw/zinc/27/98/16/412279816.db2.gz UUZDYKLHELBRAR-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662713111 412279904 /nfs/dbraw/zinc/27/99/04/412279904.db2.gz UUZDYKLHELBRAR-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662713112 412280306 /nfs/dbraw/zinc/28/03/06/412280306.db2.gz UUZDYKLHELBRAR-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662714397 409867766 /nfs/dbraw/zinc/86/77/66/409867766.db2.gz HTQBSGOWBDPSFD-JTQLQIEISA-N 2 0 241.335 -0.689 20 0 BBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662714399 409866880 /nfs/dbraw/zinc/86/68/80/409866880.db2.gz HTQBSGOWBDPSFD-SNVBAGLBSA-N 2 0 241.335 -0.689 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662714506 412280867 /nfs/dbraw/zinc/28/08/67/412280867.db2.gz HHUJQYWDYVSTNP-MBPTXSFVSA-N 2 0 223.320 -0.018 20 0 BBADRP O=C(C[C@H]1CC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000662714516 412281511 /nfs/dbraw/zinc/28/15/11/412281511.db2.gz HQZFQZANZWBLQL-GRZMOONWSA-N 2 0 223.320 -0.146 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662714542 412281345 /nfs/dbraw/zinc/28/13/45/412281345.db2.gz IFQZLVALOVADJB-INWMGODYSA-N 2 0 211.309 -0.147 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662714543 412281394 /nfs/dbraw/zinc/28/13/94/412281394.db2.gz IFQZLVALOVADJB-YUCVTWSNSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(CC[NH2+]C1CC1)NCC12CC(C1)C[NH2+]2 ZINC000662715827 412281685 /nfs/dbraw/zinc/28/16/85/412281685.db2.gz WNCRWVRBKXSZDM-UHFFFAOYSA-N 2 0 223.320 -0.003 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662716240 412281006 /nfs/dbraw/zinc/28/10/06/412281006.db2.gz PISKJMRLTXRBMA-YZRBJQDESA-N 2 0 241.335 -0.393 20 0 BBADRP CC(C)[NH2+]CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662716725 409870335 /nfs/dbraw/zinc/87/03/35/409870335.db2.gz WBOPPAXFQFTJDH-UHFFFAOYSA-N 2 0 211.309 -0.147 20 0 BBADRP CC(C)([NH3+])CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717630 412282177 /nfs/dbraw/zinc/28/21/77/412282177.db2.gz BEKMFKVJECZCDU-UHFFFAOYSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662717675 412282055 /nfs/dbraw/zinc/28/20/55/412282055.db2.gz CCFURADUDUPRNG-CXFXUWLJSA-N 2 0 235.331 -0.146 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662717677 412281997 /nfs/dbraw/zinc/28/19/97/412281997.db2.gz CCFURADUDUPRNG-FYLGKEKYSA-N 2 0 235.331 -0.146 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662717679 412282309 /nfs/dbraw/zinc/28/23/09/412282309.db2.gz CCFURADUDUPRNG-JKFXUVRWSA-N 2 0 235.331 -0.146 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662717681 412282609 /nfs/dbraw/zinc/28/26/09/412282609.db2.gz CCFURADUDUPRNG-QCNJJUDDSA-N 2 0 235.331 -0.146 20 0 BBADRP O=C(C[NH2+]CC1CC1)NCC12CC(C1)C[NH2+]2 ZINC000662717730 412282537 /nfs/dbraw/zinc/28/25/37/412282537.db2.gz DECWOOOQVQPBAF-UHFFFAOYSA-N 2 0 223.320 -0.146 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717865 412282694 /nfs/dbraw/zinc/28/26/94/412282694.db2.gz DISZIVNZDNKJQA-DKZWSVDFSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717868 412282011 /nfs/dbraw/zinc/28/20/11/412282011.db2.gz DISZIVNZDNKJQA-GWFPEYJASA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717871 412282629 /nfs/dbraw/zinc/28/26/29/412282629.db2.gz DISZIVNZDNKJQA-HUXNSBQSSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717873 412282402 /nfs/dbraw/zinc/28/24/02/412282402.db2.gz DISZIVNZDNKJQA-ZSWLNHAKSA-N 2 0 223.320 -0.147 20 0 BBADRP COCC[NH2+]CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717907 412282235 /nfs/dbraw/zinc/28/22/35/412282235.db2.gz DOQHUZALYYVIBD-UHFFFAOYSA-N 2 0 227.308 -0.909 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717942 412282414 /nfs/dbraw/zinc/28/24/14/412282414.db2.gz FGIWNMVNJOJVOS-FKTRJACZSA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717943 412282151 /nfs/dbraw/zinc/28/21/51/412282151.db2.gz FGIWNMVNJOJVOS-SILCLGDVSA-N 2 0 211.309 -0.290 20 0 BBADRP [NH3+]CCCCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718020 412282096 /nfs/dbraw/zinc/28/20/96/412282096.db2.gz GNEHPAXTPOFBDD-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718137 412282677 /nfs/dbraw/zinc/28/26/77/412282677.db2.gz GTSOXFQNSMLVIG-INWMGODYSA-N 2 0 227.308 -0.782 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718138 409869279 /nfs/dbraw/zinc/86/92/79/409869279.db2.gz GTSOXFQNSMLVIG-YUCVTWSNSA-N 2 0 227.308 -0.782 20 0 BBADRP O=C(C[C@@H]1CC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000662718196 409869965 /nfs/dbraw/zinc/86/99/65/409869965.db2.gz HQZFQZANZWBLQL-BMQDGWLCSA-N 2 0 223.320 -0.146 20 0 BBADRP CC1(C(=O)NCC23CC(C2)C[NH2+]3)C[NH2+]C1 ZINC000662718200 412282519 /nfs/dbraw/zinc/28/25/19/412282519.db2.gz HVDARUDMVRPJJH-UHFFFAOYSA-N 2 0 209.293 -0.536 20 0 BBADRP [NH3+]C1(C(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000662718265 412282192 /nfs/dbraw/zinc/28/21/92/412282192.db2.gz IYNYBMZRLPNYMY-UHFFFAOYSA-N 2 0 209.293 -0.264 20 0 BBADRP O=C(CCOC1C[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000662718468 412281967 /nfs/dbraw/zinc/28/19/67/412281967.db2.gz JQSSCLGNOCGRFD-UHFFFAOYSA-N 2 0 239.319 -0.767 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718551 409869786 /nfs/dbraw/zinc/86/97/86/409869786.db2.gz MKDXKIXKMIZJPC-NBBOBHDQSA-N 2 0 223.320 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718552 409868782 /nfs/dbraw/zinc/86/87/82/409868782.db2.gz MKDXKIXKMIZJPC-XEVUQIKYSA-N 2 0 223.320 -0.147 20 0 BBADRP C[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000662718654 412282527 /nfs/dbraw/zinc/28/25/27/412282527.db2.gz NGHQZBLDTJXESH-CKBZRRDASA-N 2 0 223.320 -0.146 20 0 BBADRP C[C@]1(C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000662718656 412282241 /nfs/dbraw/zinc/28/22/41/412282241.db2.gz NGHQZBLDTJXESH-ZYXZCXLHSA-N 2 0 223.320 -0.146 20 0 BBADRP C[NH2+]CCCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718740 412281965 /nfs/dbraw/zinc/28/19/65/412281965.db2.gz OUHFSGJYPPWKTM-UHFFFAOYSA-N 2 0 211.309 -0.146 20 0 BBADRP CC(C)(C[NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718745 412282046 /nfs/dbraw/zinc/28/20/46/412282046.db2.gz PGRAYXHWSJTRHU-UHFFFAOYSA-N 2 0 211.309 -0.161 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718809 412282066 /nfs/dbraw/zinc/28/20/66/412282066.db2.gz QHGTTYKQCOTVIU-INWMGODYSA-N 2 0 211.309 -0.162 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718810 412282245 /nfs/dbraw/zinc/28/22/45/412282245.db2.gz QHGTTYKQCOTVIU-YUCVTWSNSA-N 2 0 211.309 -0.162 20 0 BBADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC12CC(C1)C[NH2+]2 ZINC000662718856 412282181 /nfs/dbraw/zinc/28/21/81/412282181.db2.gz RLENHOGJAFBKBL-SQLBVSGCSA-N 2 0 239.319 -0.767 20 0 BBADRP O=C(C[C@H]1C[NH2+]CCO1)NCC12CC(C1)C[NH2+]2 ZINC000662718857 412282438 /nfs/dbraw/zinc/28/24/38/412282438.db2.gz RLENHOGJAFBKBL-YZRBJQDESA-N 2 0 239.319 -0.767 20 0 BBADRP O=C(C[C@@H]1COCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662718977 412282076 /nfs/dbraw/zinc/28/20/76/412282076.db2.gz STMCABIVPNOODF-SQLBVSGCSA-N 2 0 239.319 -0.767 20 0 BBADRP O=C(C[C@H]1COCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662718978 412282669 /nfs/dbraw/zinc/28/26/69/412282669.db2.gz STMCABIVPNOODF-YZRBJQDESA-N 2 0 239.319 -0.767 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662718984 412282254 /nfs/dbraw/zinc/28/22/54/412282254.db2.gz TYPZOPWEDXBPAE-SQLBVSGCSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662718985 412282508 /nfs/dbraw/zinc/28/25/08/412282508.db2.gz TYPZOPWEDXBPAE-YZRBJQDESA-N 2 0 223.320 -0.003 20 0 BBADRP [NH3+]CC1(CC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000662719051 412282186 /nfs/dbraw/zinc/28/21/86/412282186.db2.gz VVMGTNVKHRANIG-UHFFFAOYSA-N 2 0 223.320 -0.016 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000662719273 412282556 /nfs/dbraw/zinc/28/25/56/412282556.db2.gz WZAGWLKDANNTHP-SQLBVSGCSA-N 2 0 223.320 -0.146 20 0 BBADRP [NH3+][C@H](C(=O)NCC12CC(C1)C[NH2+]2)C1CCC1 ZINC000662719308 412282531 /nfs/dbraw/zinc/28/25/31/412282531.db2.gz YSUYTKSXBMCBDD-BSTRBVHOSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+][C@@H](C(=O)NCC12CC(C1)C[NH2+]2)C1CCC1 ZINC000662719309 409868646 /nfs/dbraw/zinc/86/86/46/409868646.db2.gz YSUYTKSXBMCBDD-KRBLXSNTSA-N 2 0 223.320 -0.018 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719310 409869210 /nfs/dbraw/zinc/86/92/10/409869210.db2.gz YSWRDLYOLRGQGN-FKTRJACZSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]([NH3+])CCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719311 409870100 /nfs/dbraw/zinc/87/01/00/409870100.db2.gz YSWRDLYOLRGQGN-SILCLGDVSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719363 412283537 /nfs/dbraw/zinc/28/35/37/412283537.db2.gz ZTZKVBFXBFOJDK-BFWVQVCMSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)[C@H](C)[NH3+] ZINC000662719365 412283057 /nfs/dbraw/zinc/28/30/57/412283057.db2.gz ZTZKVBFXBFOJDK-KZNVNZARSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719367 412283534 /nfs/dbraw/zinc/28/35/34/412283534.db2.gz ZTZKVBFXBFOJDK-OQVRZCNBSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719369 412283633 /nfs/dbraw/zinc/28/36/33/412283633.db2.gz ZTZKVBFXBFOJDK-PCWJGIJCSA-N 2 0 211.309 -0.162 20 0 BBADRP CN(C(=O)C1(O)C[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662720272 412283763 /nfs/dbraw/zinc/28/37/63/412283763.db2.gz YFUXXTTYXYNYQU-JTQLQIEISA-N 2 0 239.319 -0.984 20 0 BBADRP CN(C(=O)C1(O)C[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662720273 412283500 /nfs/dbraw/zinc/28/35/00/412283500.db2.gz YFUXXTTYXYNYQU-SNVBAGLBSA-N 2 0 239.319 -0.984 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662721382 412283545 /nfs/dbraw/zinc/28/35/45/412283545.db2.gz OOYCQQSLVFKDCK-JTQLQIEISA-N 2 0 241.335 -0.295 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662721384 412283008 /nfs/dbraw/zinc/28/30/08/412283008.db2.gz OOYCQQSLVFKDCK-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662721693 412283527 /nfs/dbraw/zinc/28/35/27/412283527.db2.gz VIZZBQLTXDVSTM-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662721794 412283760 /nfs/dbraw/zinc/28/37/60/412283760.db2.gz VIZZBQLTXDVSTM-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP O=C(C[NH2+]C1CC1)NCC12CC(C1)C[NH2+]2 ZINC000662723581 412284795 /nfs/dbraw/zinc/28/47/95/412284795.db2.gz HJMQBRRRXBGGHX-UHFFFAOYSA-N 2 0 209.293 -0.393 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000662725546 412284424 /nfs/dbraw/zinc/28/44/24/412284424.db2.gz UIBUTDOOECBUCO-INWMGODYSA-N 2 0 209.293 -0.393 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000662725549 412284756 /nfs/dbraw/zinc/28/47/56/412284756.db2.gz UIBUTDOOECBUCO-YUCVTWSNSA-N 2 0 209.293 -0.393 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730165 409876604 /nfs/dbraw/zinc/87/66/04/409876604.db2.gz ABFUEWQJHLKPGB-NXEZZACHSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730166 409875326 /nfs/dbraw/zinc/87/53/26/409875326.db2.gz ABFUEWQJHLKPGB-VHSXEESVSA-N 2 0 231.340 -0.160 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000662730451 412286458 /nfs/dbraw/zinc/28/64/58/412286458.db2.gz FSJJHZMELODWNL-NXEZZACHSA-N 2 0 229.324 -0.536 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662730452 412286325 /nfs/dbraw/zinc/28/63/25/412286325.db2.gz FSJJHZMELODWNL-ZJUUUORDSA-N 2 0 229.324 -0.536 20 0 BBADRP COCC[NH2+]CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730461 412287018 /nfs/dbraw/zinc/28/70/18/412287018.db2.gz GAEFWQMPCSMDTJ-SNVBAGLBSA-N 2 0 231.340 -0.288 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)COCC[NH3+] ZINC000662730469 412286315 /nfs/dbraw/zinc/28/63/15/412286315.db2.gz GHCGORFYIPCXIP-SECBINFHSA-N 2 0 217.313 -0.549 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)CCOC1C[NH2+]C1 ZINC000662730588 412287057 /nfs/dbraw/zinc/28/70/57/412287057.db2.gz KJSFGATZWHBJOM-LLVKDONJSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662730839 412286748 /nfs/dbraw/zinc/28/67/48/412286748.db2.gz RATYQRDMCRXYPP-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000662730840 412287007 /nfs/dbraw/zinc/28/70/07/412287007.db2.gz RATYQRDMCRXYPP-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000662731118 412287082 /nfs/dbraw/zinc/28/70/82/412287082.db2.gz YTGSXQNMKLROJV-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000662731154 412286729 /nfs/dbraw/zinc/28/67/29/412286729.db2.gz YTGSXQNMKLROJV-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000662732544 412287699 /nfs/dbraw/zinc/28/76/99/412287699.db2.gz XKVHIQAHBPGZAQ-GHMZBOCLSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000662732548 412288338 /nfs/dbraw/zinc/28/83/38/412288338.db2.gz XKVHIQAHBPGZAQ-MNOVXSKESA-N 2 0 244.383 -0.245 20 0 BBADRP O=C(Nc1ccc2nccn2c1)C1(O)C[NH2+]C1 ZINC000662735402 412289124 /nfs/dbraw/zinc/28/91/24/412289124.db2.gz NNMSQSAJSKCTCH-UHFFFAOYSA-N 2 0 232.243 -0.393 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662743231 412289586 /nfs/dbraw/zinc/28/95/86/412289586.db2.gz LTPGZTLOXSNPDT-XYPYZODXSA-N 2 0 243.351 -0.192 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000662744202 412289979 /nfs/dbraw/zinc/28/99/79/412289979.db2.gz XUQXUYSBNZIWOD-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[C@@H]1C[C@H](N(C)C(=O)C2(O)C[NH2+]C2)CC[N@@H+]1C ZINC000662744292 412290049 /nfs/dbraw/zinc/29/00/49/412290049.db2.gz CZEIHVHWOPJGSX-NXEZZACHSA-N 2 0 241.335 -0.738 20 0 BBADRP C[C@H]1C[C@@H](N(C)C(=O)C2(O)C[NH2+]C2)CC[N@@H+]1C ZINC000662744293 412289925 /nfs/dbraw/zinc/28/99/25/412289925.db2.gz CZEIHVHWOPJGSX-UWVGGRQHSA-N 2 0 241.335 -0.738 20 0 BBADRP C[C@H]1C[C@H](N(C)C(=O)C2(O)C[NH2+]C2)CC[N@@H+]1C ZINC000662744294 412290465 /nfs/dbraw/zinc/29/04/65/412290465.db2.gz CZEIHVHWOPJGSX-VHSXEESVSA-N 2 0 241.335 -0.738 20 0 BBADRP C[C@@H]1C[C@@H](N(C)C(=O)C2(O)C[NH2+]C2)CC[N@@H+]1C ZINC000662744295 412289826 /nfs/dbraw/zinc/28/98/26/412289826.db2.gz CZEIHVHWOPJGSX-ZJUUUORDSA-N 2 0 241.335 -0.738 20 0 BBADRP C[C@@H](NC(=O)C1(O)C[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000662746266 412289995 /nfs/dbraw/zinc/28/99/95/412289995.db2.gz RTLPTYRRTPHDDH-SECBINFHSA-N 2 0 243.351 -0.587 20 0 BBADRP C[C@H](NC(=O)C1(O)C[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000662746271 412290142 /nfs/dbraw/zinc/29/01/42/412290142.db2.gz RTLPTYRRTPHDDH-VIFPVBQESA-N 2 0 243.351 -0.587 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662746731 412290066 /nfs/dbraw/zinc/29/00/66/412290066.db2.gz NRQKXXVAPOVMEI-IWSPIJDZSA-N 2 0 215.272 -0.364 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662746886 412290162 /nfs/dbraw/zinc/29/01/62/412290162.db2.gz ORCTULWPNQHSPR-HLTSFMKQSA-N 2 0 217.288 -0.133 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@H]1F ZINC000662747754 412290095 /nfs/dbraw/zinc/29/00/95/412290095.db2.gz AKJHGRDVNHBRRQ-HTQZYQBOSA-N 2 0 215.272 -0.235 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000662747813 412289999 /nfs/dbraw/zinc/28/99/99/412289999.db2.gz DKRSWVGHNZMNFE-IVZWLZJFSA-N 2 0 245.298 -0.737 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000662747814 412290173 /nfs/dbraw/zinc/29/01/73/412290173.db2.gz DKRSWVGHNZMNFE-OPRDCNLKSA-N 2 0 245.298 -0.737 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC[C@H]1F ZINC000662747828 412289704 /nfs/dbraw/zinc/28/97/04/412289704.db2.gz BVUYTFXDRBWVIG-BFLSOPEQSA-N 2 0 241.310 -0.116 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[C@H]1F ZINC000662747830 412290205 /nfs/dbraw/zinc/29/02/05/412290205.db2.gz BVUYTFXDRBWVIG-BTQIBKBOSA-N 2 0 241.310 -0.116 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[C@H]1F ZINC000662747832 412289915 /nfs/dbraw/zinc/28/99/15/412289915.db2.gz BVUYTFXDRBWVIG-DNRKLUKYSA-N 2 0 241.310 -0.116 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC[C@H]1F ZINC000662747833 412290045 /nfs/dbraw/zinc/29/00/45/412290045.db2.gz BVUYTFXDRBWVIG-XNDJQWLSSA-N 2 0 241.310 -0.116 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747973 412289672 /nfs/dbraw/zinc/28/96/72/412289672.db2.gz HRXQGXCEKSGXSL-BWZBUEFSSA-N 2 0 203.261 -0.379 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747974 412289870 /nfs/dbraw/zinc/28/98/70/412289870.db2.gz HRXQGXCEKSGXSL-GJMOJQLCSA-N 2 0 203.261 -0.379 20 0 BBADRP [NH3+]CCCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747980 412290057 /nfs/dbraw/zinc/29/00/57/412290057.db2.gz ICGGLUBSBKGZOV-HTQZYQBOSA-N 2 0 203.261 -0.377 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748090 412290385 /nfs/dbraw/zinc/29/03/85/412290385.db2.gz LIFXCUDWRKVXHD-BWZBUEFSSA-N 2 0 203.261 -0.379 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@H]1F ZINC000662748236 412290383 /nfs/dbraw/zinc/29/03/83/412290383.db2.gz NEPHYLSXFCCQLC-NXEZZACHSA-N 2 0 229.299 -0.116 20 0 BBADRP C[NH2+]CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748249 412292012 /nfs/dbraw/zinc/29/20/12/412292012.db2.gz NNLWOQMEMLRPFA-HTQZYQBOSA-N 2 0 203.261 -0.506 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748288 412283141 /nfs/dbraw/zinc/28/31/41/412283141.db2.gz ORCTULWPNQHSPR-IWSPIJDZSA-N 2 0 217.288 -0.133 20 0 BBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662750010 412291073 /nfs/dbraw/zinc/29/10/73/412291073.db2.gz QSIJYAMEZCYYSN-JTQLQIEISA-N 2 0 241.335 -0.879 20 0 BBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662750011 412291832 /nfs/dbraw/zinc/29/18/32/412291832.db2.gz QSIJYAMEZCYYSN-SNVBAGLBSA-N 2 0 241.335 -0.879 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662750666 412291467 /nfs/dbraw/zinc/29/14/67/412291467.db2.gz WVNXPEJEEOUEJZ-UHFFFAOYSA-N 2 0 229.324 -0.831 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000662754029 412290926 /nfs/dbraw/zinc/29/09/26/412290926.db2.gz BRFYOSRDCLFBCX-BDAKNGLRSA-N 2 0 239.319 -0.938 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000662754030 412291390 /nfs/dbraw/zinc/29/13/90/412291390.db2.gz BRFYOSRDCLFBCX-DTWKUNHWSA-N 2 0 239.319 -0.938 20 0 BBADRP C[C@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000662754031 412291740 /nfs/dbraw/zinc/29/17/40/412291740.db2.gz BRFYOSRDCLFBCX-IUCAKERBSA-N 2 0 239.319 -0.938 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)C2(O)C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000662754032 412291004 /nfs/dbraw/zinc/29/10/04/412291004.db2.gz BRFYOSRDCLFBCX-RKDXNWHRSA-N 2 0 239.319 -0.938 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662756178 412291526 /nfs/dbraw/zinc/29/15/26/412291526.db2.gz HTJQOMMDSURLST-DCAQKATOSA-N 2 0 240.351 -0.914 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662756179 412291459 /nfs/dbraw/zinc/29/14/59/412291459.db2.gz HTJQOMMDSURLST-GMTAPVOTSA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662760999 412292596 /nfs/dbraw/zinc/29/25/96/412292596.db2.gz KLSCYDRWYUNZOR-JXUBOQSCSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662761000 412292634 /nfs/dbraw/zinc/29/26/34/412292634.db2.gz KLSCYDRWYUNZOR-UTINFBMNSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662761001 412292927 /nfs/dbraw/zinc/29/29/27/412292927.db2.gz KLSCYDRWYUNZOR-XKNYDFJKSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662761003 412292896 /nfs/dbraw/zinc/29/28/96/412292896.db2.gz KLSCYDRWYUNZOR-ZYUZMQFOSA-N 2 0 211.309 -0.081 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662761309 412293926 /nfs/dbraw/zinc/29/39/26/412293926.db2.gz SEVOJRLHSAGJBC-NXEZZACHSA-N 2 0 229.324 -0.534 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662761311 412293647 /nfs/dbraw/zinc/29/36/47/412293647.db2.gz SEVOJRLHSAGJBC-UWVGGRQHSA-N 2 0 229.324 -0.534 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662761312 412293399 /nfs/dbraw/zinc/29/33/99/412293399.db2.gz SEVOJRLHSAGJBC-VHSXEESVSA-N 2 0 229.324 -0.534 20 0 BBADRP CCC[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662761313 412293997 /nfs/dbraw/zinc/29/39/97/412293997.db2.gz SEVOJRLHSAGJBC-ZJUUUORDSA-N 2 0 229.324 -0.534 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000662763076 412294084 /nfs/dbraw/zinc/29/40/84/412294084.db2.gz KFIGNFFLMMBKCB-SECBINFHSA-N 2 0 211.309 -0.290 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC1C[NH2+]C1 ZINC000662763077 412293680 /nfs/dbraw/zinc/29/36/80/412293680.db2.gz KFIGNFFLMMBKCB-VIFPVBQESA-N 2 0 211.309 -0.290 20 0 BBADRP O=C(NCC1C[NH2+]C1)C1([NH2+]C2CC2)CCC1 ZINC000662763289 412294148 /nfs/dbraw/zinc/29/41/48/412294148.db2.gz VAZJKUGDTKNLES-UHFFFAOYSA-N 2 0 223.320 -0.003 20 0 BBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000662763334 412293472 /nfs/dbraw/zinc/29/34/72/412293472.db2.gz XCJQBZMVVFLIIR-IVZWLZJFSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000662763335 412293581 /nfs/dbraw/zinc/29/35/81/412293581.db2.gz XCJQBZMVVFLIIR-LPEHRKFASA-N 2 0 227.308 -0.782 20 0 BBADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)C1(O)C[NH2+]C1 ZINC000662763587 412293697 /nfs/dbraw/zinc/29/36/97/412293697.db2.gz GXCPLXKUHPHXQT-UHFFFAOYSA-N 2 0 248.286 -1.000 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662763920 412294741 /nfs/dbraw/zinc/29/47/41/412294741.db2.gz KHJSYFLLKXSQCN-KYZUINATSA-N 2 0 215.297 -0.924 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662763966 412285648 /nfs/dbraw/zinc/28/56/48/412285648.db2.gz GKFVVKIFSNREKG-JXUBOQSCSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000662763967 412285612 /nfs/dbraw/zinc/28/56/12/412285612.db2.gz GKFVVKIFSNREKG-UTINFBMNSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000662763968 412285393 /nfs/dbraw/zinc/28/53/93/412285393.db2.gz GKFVVKIFSNREKG-XKNYDFJKSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000662763969 412285704 /nfs/dbraw/zinc/28/57/04/412285704.db2.gz GKFVVKIFSNREKG-ZYUZMQFOSA-N 2 0 211.309 -0.068 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662764537 412285778 /nfs/dbraw/zinc/28/57/78/412285778.db2.gz QRUQQQAZCOHLDT-JTQLQIEISA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662764538 412285630 /nfs/dbraw/zinc/28/56/30/412285630.db2.gz QRUQQQAZCOHLDT-SNVBAGLBSA-N 2 0 243.351 -0.273 20 0 BBADRP COCC[NH2+]CCNC(=O)CC1([NH3+])CC1 ZINC000662764840 412294896 /nfs/dbraw/zinc/29/48/96/412294896.db2.gz SNEYPPGXROTXHW-UHFFFAOYSA-N 2 0 215.297 -0.780 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000662764982 412294430 /nfs/dbraw/zinc/29/44/30/412294430.db2.gz PPKRDVGGWYITGW-BDAKNGLRSA-N 2 0 227.308 -0.652 20 0 BBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000662764983 412295174 /nfs/dbraw/zinc/29/51/74/412295174.db2.gz PPKRDVGGWYITGW-DTWKUNHWSA-N 2 0 227.308 -0.652 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000662764984 412294626 /nfs/dbraw/zinc/29/46/26/412294626.db2.gz PPKRDVGGWYITGW-IUCAKERBSA-N 2 0 227.308 -0.652 20 0 BBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000662764985 412294805 /nfs/dbraw/zinc/29/48/05/412294805.db2.gz PPKRDVGGWYITGW-RKDXNWHRSA-N 2 0 227.308 -0.652 20 0 BBADRP C[NH2+]CCC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662765088 412294394 /nfs/dbraw/zinc/29/43/94/412294394.db2.gz VNRCJOWVOIWNLN-UHFFFAOYSA-N 2 0 241.335 -0.831 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000662765131 412294399 /nfs/dbraw/zinc/29/43/99/412294399.db2.gz VZZVXIMNZCHJBE-AEJSXWLSSA-N 2 0 227.308 -0.796 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000662765133 412294883 /nfs/dbraw/zinc/29/48/83/412294883.db2.gz VZZVXIMNZCHJBE-BBBLOLIVSA-N 2 0 227.308 -0.796 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000662765136 412294473 /nfs/dbraw/zinc/29/44/73/412294473.db2.gz VZZVXIMNZCHJBE-GUBZILKMSA-N 2 0 227.308 -0.796 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000662765138 412295029 /nfs/dbraw/zinc/29/50/29/412295029.db2.gz VZZVXIMNZCHJBE-UTLUCORTSA-N 2 0 227.308 -0.796 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662765297 412294530 /nfs/dbraw/zinc/29/45/30/412294530.db2.gz RXSIWOWCGLKMHN-JXUBOQSCSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662765298 412295050 /nfs/dbraw/zinc/29/50/50/412295050.db2.gz RXSIWOWCGLKMHN-UTINFBMNSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662765300 412295096 /nfs/dbraw/zinc/29/50/96/412295096.db2.gz RXSIWOWCGLKMHN-XKNYDFJKSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662765301 412294887 /nfs/dbraw/zinc/29/48/87/412294887.db2.gz RXSIWOWCGLKMHN-ZYUZMQFOSA-N 2 0 211.309 -0.081 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662765339 412294683 /nfs/dbraw/zinc/29/46/83/412294683.db2.gz FRLLFUNGBLEFIG-MGCOHNPYSA-N 2 0 211.309 -0.112 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000662765716 412294418 /nfs/dbraw/zinc/29/44/18/412294418.db2.gz HYTLPDAMURMDIE-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP [NH3+]Cc1ccc(NC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662765893 412295300 /nfs/dbraw/zinc/29/53/00/412295300.db2.gz FEDWOQBDRJMIQA-UHFFFAOYSA-N 2 0 221.260 -0.582 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662766085 412295013 /nfs/dbraw/zinc/29/50/13/412295013.db2.gz KSYYUCUESBYKNY-CKYFFXLPSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662766086 412294823 /nfs/dbraw/zinc/29/48/23/412294823.db2.gz KSYYUCUESBYKNY-NHCYSSNCSA-N 2 0 223.320 -0.064 20 0 BBADRP C[C@H](C[NH3+])NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662766684 412296050 /nfs/dbraw/zinc/29/60/50/412296050.db2.gz MASXRSQIBGVTTE-ZCFIWIBFSA-N 2 0 226.280 -0.055 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662766722 412295866 /nfs/dbraw/zinc/29/58/66/412295866.db2.gz OFZWFWBLLYKNAY-GHMZBOCLSA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662766723 412295565 /nfs/dbraw/zinc/29/55/65/412295565.db2.gz OFZWFWBLLYKNAY-MNOVXSKESA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662766724 412295583 /nfs/dbraw/zinc/29/55/83/412295583.db2.gz OFZWFWBLLYKNAY-QWRGUYRKSA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662766725 412295943 /nfs/dbraw/zinc/29/59/43/412295943.db2.gz OFZWFWBLLYKNAY-WDEREUQCSA-N 2 0 241.335 -0.486 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000662767367 412295842 /nfs/dbraw/zinc/29/58/42/412295842.db2.gz UXCGAOOVLYIBOA-MGCOHNPYSA-N 2 0 209.293 -0.240 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662767685 409890444 /nfs/dbraw/zinc/89/04/44/409890444.db2.gz YDEYWJNOBAHSMX-HTRCEHHLSA-N 2 0 239.241 -0.008 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662767686 409891577 /nfs/dbraw/zinc/89/15/77/409891577.db2.gz YDEYWJNOBAHSMX-SVRRBLITSA-N 2 0 239.241 -0.008 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000662767733 412295809 /nfs/dbraw/zinc/29/58/09/412295809.db2.gz ZBQQDWHPQJXCQV-NXEZZACHSA-N 2 0 241.335 -0.439 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000662767735 409890998 /nfs/dbraw/zinc/89/09/98/409890998.db2.gz ZBQQDWHPQJXCQV-UWVGGRQHSA-N 2 0 241.335 -0.439 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000662767737 409891675 /nfs/dbraw/zinc/89/16/75/409891675.db2.gz ZBQQDWHPQJXCQV-VHSXEESVSA-N 2 0 241.335 -0.439 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000662767739 409890222 /nfs/dbraw/zinc/89/02/22/409890222.db2.gz ZBQQDWHPQJXCQV-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000662769805 412297061 /nfs/dbraw/zinc/29/70/61/412297061.db2.gz MPNRVSZIGLEDEJ-GUBZILKMSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000662769808 409890733 /nfs/dbraw/zinc/89/07/33/409890733.db2.gz MPNRVSZIGLEDEJ-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000662769898 412297239 /nfs/dbraw/zinc/29/72/39/412297239.db2.gz KAPUGVNBQOQWLP-NAKRPEOUSA-N 2 0 241.335 -0.264 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662769899 412297338 /nfs/dbraw/zinc/29/73/38/412297338.db2.gz KAPUGVNBQOQWLP-RCWTZXSCSA-N 2 0 241.335 -0.264 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662769900 412296933 /nfs/dbraw/zinc/29/69/33/412296933.db2.gz KAPUGVNBQOQWLP-VLEAKVRGSA-N 2 0 241.335 -0.264 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662769901 412296801 /nfs/dbraw/zinc/29/68/01/412296801.db2.gz KAPUGVNBQOQWLP-ZNSHCXBVSA-N 2 0 241.335 -0.264 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662769985 412296968 /nfs/dbraw/zinc/29/69/68/412296968.db2.gz NELZSWNPJWCBRA-CHWFTXMASA-N 2 0 241.335 -0.536 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662769986 412296833 /nfs/dbraw/zinc/29/68/33/412296833.db2.gz NELZSWNPJWCBRA-RCWTZXSCSA-N 2 0 241.335 -0.536 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662769987 412297368 /nfs/dbraw/zinc/29/73/68/412297368.db2.gz NELZSWNPJWCBRA-VPOLOUISSA-N 2 0 241.335 -0.536 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662769988 409892882 /nfs/dbraw/zinc/89/28/82/409892882.db2.gz NELZSWNPJWCBRA-ZNSHCXBVSA-N 2 0 241.335 -0.536 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662770700 412297506 /nfs/dbraw/zinc/29/75/06/412297506.db2.gz SJXAUAUIVPPEKL-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662770704 412297307 /nfs/dbraw/zinc/29/73/07/412297307.db2.gz SJXAUAUIVPPEKL-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662770706 412296881 /nfs/dbraw/zinc/29/68/81/412296881.db2.gz SJXAUAUIVPPEKL-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662770710 412297344 /nfs/dbraw/zinc/29/73/44/412297344.db2.gz SJXAUAUIVPPEKL-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000662771311 412296742 /nfs/dbraw/zinc/29/67/42/412296742.db2.gz XCJQBZMVVFLIIR-KXUCPTDWSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000662771313 412297371 /nfs/dbraw/zinc/29/73/71/412297371.db2.gz XCJQBZMVVFLIIR-OPRDCNLKSA-N 2 0 227.308 -0.782 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662771419 412297057 /nfs/dbraw/zinc/29/70/57/412297057.db2.gz WZVWBGVJJGCUDE-AATLWQCWSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662771424 412296905 /nfs/dbraw/zinc/29/69/05/412296905.db2.gz WZVWBGVJJGCUDE-KYXWUPHJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662771428 412297095 /nfs/dbraw/zinc/29/70/95/412297095.db2.gz WZVWBGVJJGCUDE-XKNYDFJKSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662771431 412297538 /nfs/dbraw/zinc/29/75/38/412297538.db2.gz WZVWBGVJJGCUDE-ZYUZMQFOSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662772298 412297456 /nfs/dbraw/zinc/29/74/56/412297456.db2.gz OAEKIADHBNFQQQ-BDAKNGLRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662772299 412296984 /nfs/dbraw/zinc/29/69/84/412296984.db2.gz OAEKIADHBNFQQQ-DTWKUNHWSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662772300 412296926 /nfs/dbraw/zinc/29/69/26/412296926.db2.gz OAEKIADHBNFQQQ-IUCAKERBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662772301 412296900 /nfs/dbraw/zinc/29/69/00/412296900.db2.gz OAEKIADHBNFQQQ-RKDXNWHRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662772431 412297937 /nfs/dbraw/zinc/29/79/37/412297937.db2.gz HOPXLNLCCUCNFE-FXPVBKGRSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662772433 412298194 /nfs/dbraw/zinc/29/81/94/412298194.db2.gz HOPXLNLCCUCNFE-QXEWZRGKSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662772680 412298281 /nfs/dbraw/zinc/29/82/81/412298281.db2.gz DAORSJRAUJNFMI-HTRCEHHLSA-N 2 0 239.241 -0.008 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662772960 412298440 /nfs/dbraw/zinc/29/84/40/412298440.db2.gz DAORSJRAUJNFMI-POYBYMJQSA-N 2 0 239.241 -0.008 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662772961 412298215 /nfs/dbraw/zinc/29/82/15/412298215.db2.gz DAORSJRAUJNFMI-SVRRBLITSA-N 2 0 239.241 -0.008 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662772963 412298288 /nfs/dbraw/zinc/29/82/88/412298288.db2.gz DAORSJRAUJNFMI-XPUUQOCRSA-N 2 0 239.241 -0.008 20 0 BBADRP [NH3+]C1(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000662773063 412298032 /nfs/dbraw/zinc/29/80/32/412298032.db2.gz FHVBASBBNURPHE-DTORHVGOSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000662773155 409892748 /nfs/dbraw/zinc/89/27/48/409892748.db2.gz SUGUTMWXMKIDFJ-DBIOUOCHSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662773156 409893917 /nfs/dbraw/zinc/89/39/17/409893917.db2.gz SUGUTMWXMKIDFJ-GWOFURMSSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000662773157 409892844 /nfs/dbraw/zinc/89/28/44/409892844.db2.gz SUGUTMWXMKIDFJ-NAKRPEOUSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662773158 409893460 /nfs/dbraw/zinc/89/34/60/409893460.db2.gz SUGUTMWXMKIDFJ-XWLWVQCSSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662773234 409894020 /nfs/dbraw/zinc/89/40/20/409894020.db2.gz IBPVZIPIVUMVPN-NAKRPEOUSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662773235 409893353 /nfs/dbraw/zinc/89/33/53/409893353.db2.gz IBPVZIPIVUMVPN-VLEAKVRGSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662773236 409893324 /nfs/dbraw/zinc/89/33/24/409893324.db2.gz IBPVZIPIVUMVPN-XWLWVQCSSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662773237 409893403 /nfs/dbraw/zinc/89/34/03/409893403.db2.gz IBPVZIPIVUMVPN-ZRUFSTJUSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000662773670 409892867 /nfs/dbraw/zinc/89/28/67/409892867.db2.gz JSJYSFWVLPOTPP-KYZUINATSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000662773798 412298112 /nfs/dbraw/zinc/29/81/12/412298112.db2.gz KYZMBQPXDDMJSR-AATLWQCWSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000662773953 412298062 /nfs/dbraw/zinc/29/80/62/412298062.db2.gz KYZMBQPXDDMJSR-KYXWUPHJSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000662773954 412298379 /nfs/dbraw/zinc/29/83/79/412298379.db2.gz KYZMBQPXDDMJSR-XKNYDFJKSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000662773955 412298357 /nfs/dbraw/zinc/29/83/57/412298357.db2.gz KYZMBQPXDDMJSR-ZYUZMQFOSA-N 2 0 211.309 -0.020 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000662774126 412297855 /nfs/dbraw/zinc/29/78/55/412297855.db2.gz LJMQYICHAMLEOL-AXFHLTTASA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000662774128 412298202 /nfs/dbraw/zinc/29/82/02/412298202.db2.gz LJMQYICHAMLEOL-DCAQKATOSA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000662774130 412297988 /nfs/dbraw/zinc/29/79/88/412297988.db2.gz LJMQYICHAMLEOL-MXWKQRLJSA-N 2 0 243.351 -0.053 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000662774131 412298134 /nfs/dbraw/zinc/29/81/34/412298134.db2.gz LJMQYICHAMLEOL-VWYCJHECSA-N 2 0 243.351 -0.053 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662774350 409892980 /nfs/dbraw/zinc/89/29/80/409892980.db2.gz ZVZYCJBXPXVORS-AATLWQCWSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662774351 409892919 /nfs/dbraw/zinc/89/29/19/409892919.db2.gz ZVZYCJBXPXVORS-KYXWUPHJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662774352 409892635 /nfs/dbraw/zinc/89/26/35/409892635.db2.gz ZVZYCJBXPXVORS-XKNYDFJKSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662774353 409892806 /nfs/dbraw/zinc/89/28/06/409892806.db2.gz ZVZYCJBXPXVORS-ZYUZMQFOSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]([NH3+])CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662774463 409892520 /nfs/dbraw/zinc/89/25/20/409892520.db2.gz PKWVDACWMSIEKD-LURJTMIESA-N 2 0 226.280 -0.055 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662774465 409894004 /nfs/dbraw/zinc/89/40/04/409894004.db2.gz PKWVDACWMSIEKD-ZCFIWIBFSA-N 2 0 226.280 -0.055 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662774733 412298263 /nfs/dbraw/zinc/29/82/63/412298263.db2.gz RCVHCZFZVRAXCS-BBBLOLIVSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662774735 412297896 /nfs/dbraw/zinc/29/78/96/412297896.db2.gz RCVHCZFZVRAXCS-KXUCPTDWSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662774737 412298131 /nfs/dbraw/zinc/29/81/31/412298131.db2.gz RCVHCZFZVRAXCS-OPRDCNLKSA-N 2 0 229.324 -0.536 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662774738 412298224 /nfs/dbraw/zinc/29/82/24/412298224.db2.gz RCVHCZFZVRAXCS-UTLUCORTSA-N 2 0 229.324 -0.536 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000662775044 412299290 /nfs/dbraw/zinc/29/92/90/412299290.db2.gz TUUKIZITPQYAHU-MSLAYNRJSA-N 2 0 209.293 -0.599 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662775456 412298834 /nfs/dbraw/zinc/29/88/34/412298834.db2.gz QYGLVYRUIPILTF-XKNYDFJKSA-N 2 0 211.309 -0.020 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662775992 412299335 /nfs/dbraw/zinc/29/93/35/412299335.db2.gz FWMGNKYRZRVJOW-XKNYDFJKSA-N 2 0 229.299 -0.118 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662776274 412299098 /nfs/dbraw/zinc/29/90/98/412299098.db2.gz WATDQRMLYGJREX-JXUBOQSCSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC000662776275 412298994 /nfs/dbraw/zinc/29/89/94/412298994.db2.gz WATDQRMLYGJREX-UTINFBMNSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC000662776276 412299186 /nfs/dbraw/zinc/29/91/86/412299186.db2.gz WATDQRMLYGJREX-XKNYDFJKSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1C ZINC000662776277 412298787 /nfs/dbraw/zinc/29/87/87/412298787.db2.gz WATDQRMLYGJREX-ZYUZMQFOSA-N 2 0 211.309 -0.068 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662777462 412299027 /nfs/dbraw/zinc/29/90/27/412299027.db2.gz BWFVMQIRGGMAFB-BDAKNGLRSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662777463 412299075 /nfs/dbraw/zinc/29/90/75/412299075.db2.gz BWFVMQIRGGMAFB-DTWKUNHWSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662777464 412299285 /nfs/dbraw/zinc/29/92/85/412299285.db2.gz BWFVMQIRGGMAFB-IUCAKERBSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662777465 412299156 /nfs/dbraw/zinc/29/91/56/412299156.db2.gz BWFVMQIRGGMAFB-RKDXNWHRSA-N 2 0 215.297 -0.972 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662777932 412299795 /nfs/dbraw/zinc/29/97/95/412299795.db2.gz ACVHLGNHZLDLJU-GMTAPVOTSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662777934 412299662 /nfs/dbraw/zinc/29/96/62/412299662.db2.gz ACVHLGNHZLDLJU-MXWKQRLJSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662777935 412300101 /nfs/dbraw/zinc/30/01/01/412300101.db2.gz ACVHLGNHZLDLJU-OUAUKWLOSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662777937 412300154 /nfs/dbraw/zinc/30/01/54/412300154.db2.gz ACVHLGNHZLDLJU-VWYCJHECSA-N 2 0 243.351 -0.016 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1([NH2+]C2CC2)CCC1 ZINC000662777943 412300125 /nfs/dbraw/zinc/30/01/25/412300125.db2.gz ADCIFUIWHZLOOZ-URLYPYJESA-N 2 0 235.331 -0.005 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000662778624 412299798 /nfs/dbraw/zinc/29/97/98/412299798.db2.gz GTMQSBSNFOKXDW-GUBZILKMSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000662778625 412299811 /nfs/dbraw/zinc/29/98/11/412299811.db2.gz GTMQSBSNFOKXDW-OPRDCNLKSA-N 2 0 223.320 -0.018 20 0 BBADRP COC[C@]1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662779008 412299853 /nfs/dbraw/zinc/29/98/53/412299853.db2.gz KDISCVYOXLTBIN-CKYFFXLPSA-N 2 0 241.335 -0.392 20 0 BBADRP COC[C@@]1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662779009 412300115 /nfs/dbraw/zinc/30/01/15/412300115.db2.gz KDISCVYOXLTBIN-NHCYSSNCSA-N 2 0 241.335 -0.392 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000662779015 409900060 /nfs/dbraw/zinc/90/00/60/409900060.db2.gz HNAYTGPMGFCBAV-JLIMGVALSA-N 2 0 223.320 -0.292 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000662779032 409899814 /nfs/dbraw/zinc/89/98/14/409899814.db2.gz HNAYTGPMGFCBAV-XFWSIPNHSA-N 2 0 223.320 -0.292 20 0 BBADRP [NH3+]C1(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000662779104 412300136 /nfs/dbraw/zinc/30/01/36/412300136.db2.gz LKQKIWRKOVYGFG-YUMQZZPRSA-N 2 0 215.272 -0.316 20 0 BBADRP COC[C@]1(CNC(=O)CC2([NH3+])CC2)CCC[NH2+]1 ZINC000662779327 412300185 /nfs/dbraw/zinc/30/01/85/412300185.db2.gz LKVOQYLKGLIBPE-GFCCVEGCSA-N 2 0 241.335 -0.247 20 0 BBADRP COC[C@@]1(CNC(=O)CC2([NH3+])CC2)CCC[NH2+]1 ZINC000662779330 412300212 /nfs/dbraw/zinc/30/02/12/412300212.db2.gz LKVOQYLKGLIBPE-LBPRGKRZSA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662779352 412300168 /nfs/dbraw/zinc/30/01/68/412300168.db2.gz JMWHTBVFLLODMP-MGCOHNPYSA-N 2 0 241.335 -0.798 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000662779767 412300006 /nfs/dbraw/zinc/30/00/06/412300006.db2.gz OOKGNDPRFIENSZ-DBIOUOCHSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000662779769 412299883 /nfs/dbraw/zinc/29/98/83/412299883.db2.gz OOKGNDPRFIENSZ-GWOFURMSSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000662779770 412300187 /nfs/dbraw/zinc/30/01/87/412300187.db2.gz OOKGNDPRFIENSZ-NAKRPEOUSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000662779772 412299699 /nfs/dbraw/zinc/29/96/99/412299699.db2.gz OOKGNDPRFIENSZ-XWLWVQCSSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000662780816 409905277 /nfs/dbraw/zinc/90/52/77/409905277.db2.gz UIHROTVWPQOPOA-AATLWQCWSA-N 2 0 245.298 -0.834 20 0 BBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000662780817 409905072 /nfs/dbraw/zinc/90/50/72/409905072.db2.gz UIHROTVWPQOPOA-AXTSPUMRSA-N 2 0 245.298 -0.834 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000662780818 409906127 /nfs/dbraw/zinc/90/61/27/409906127.db2.gz UIHROTVWPQOPOA-QEYWKRMJSA-N 2 0 245.298 -0.834 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000662780846 409905140 /nfs/dbraw/zinc/90/51/40/409905140.db2.gz UIHROTVWPQOPOA-XKNYDFJKSA-N 2 0 245.298 -0.834 20 0 BBADRP [NH3+]C1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC2(CCC2)C1 ZINC000662781251 409907907 /nfs/dbraw/zinc/90/79/07/409907907.db2.gz WLYUBHVMMXNAEM-MYJAWHEDSA-N 2 0 235.331 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662781306 412301016 /nfs/dbraw/zinc/30/10/16/412301016.db2.gz XGCXUBDPYXPVLY-JBDRJPRFSA-N 2 0 215.272 -0.460 20 0 BBADRP CC1(C)CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000662782558 409912231 /nfs/dbraw/zinc/91/22/31/409912231.db2.gz FRPXQPUEKBZENV-KYZUINATSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662782741 409913045 /nfs/dbraw/zinc/91/30/45/409913045.db2.gz LRJFGGWTPVEQPD-CIUDSAMLSA-N 2 0 215.297 -0.796 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662782742 409913334 /nfs/dbraw/zinc/91/33/34/409913334.db2.gz LRJFGGWTPVEQPD-DJLDLDEBSA-N 2 0 215.297 -0.796 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662782744 409913797 /nfs/dbraw/zinc/91/37/97/409913797.db2.gz LRJFGGWTPVEQPD-XHNCKOQMSA-N 2 0 215.297 -0.796 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662782745 409913224 /nfs/dbraw/zinc/91/32/24/409913224.db2.gz LRJFGGWTPVEQPD-YIZRAAEISA-N 2 0 215.297 -0.796 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662783127 409913157 /nfs/dbraw/zinc/91/31/57/409913157.db2.gz ITQCKMQTAYCPOO-AATLWQCWSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662783129 409913980 /nfs/dbraw/zinc/91/39/80/409913980.db2.gz ITQCKMQTAYCPOO-KYXWUPHJSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662783132 409913303 /nfs/dbraw/zinc/91/33/03/409913303.db2.gz ITQCKMQTAYCPOO-XKNYDFJKSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662783133 409912345 /nfs/dbraw/zinc/91/23/45/409912345.db2.gz ITQCKMQTAYCPOO-ZYUZMQFOSA-N 2 0 211.309 -0.033 20 0 BBADRP CC1(C)CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[NH2+]1 ZINC000662783182 412300931 /nfs/dbraw/zinc/30/09/31/412300931.db2.gz JSLWZOMCITZRPW-NXEZZACHSA-N 2 0 241.335 -0.439 20 0 BBADRP CC1(C)CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[NH2+]1 ZINC000662783183 409913321 /nfs/dbraw/zinc/91/33/21/409913321.db2.gz JSLWZOMCITZRPW-UWVGGRQHSA-N 2 0 241.335 -0.439 20 0 BBADRP CC1(C)CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[NH2+]1 ZINC000662783184 409913739 /nfs/dbraw/zinc/91/37/39/409913739.db2.gz JSLWZOMCITZRPW-VHSXEESVSA-N 2 0 241.335 -0.439 20 0 BBADRP CC1(C)CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[NH2+]1 ZINC000662783185 409912280 /nfs/dbraw/zinc/91/22/80/409912280.db2.gz JSLWZOMCITZRPW-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000662783480 412300492 /nfs/dbraw/zinc/30/04/92/412300492.db2.gz LKMRKXWJDHNEET-GUBZILKMSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000662783482 412300658 /nfs/dbraw/zinc/30/06/58/412300658.db2.gz LKMRKXWJDHNEET-OPRDCNLKSA-N 2 0 227.308 -0.782 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662783531 412300992 /nfs/dbraw/zinc/30/09/92/412300992.db2.gz LYGYXPFEKUFEBC-CIUDSAMLSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662783544 412301062 /nfs/dbraw/zinc/30/10/62/412301062.db2.gz LYGYXPFEKUFEBC-IWSPIJDZSA-N 2 0 211.309 -0.020 20 0 BBADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C1(O)C[NH2+]C1 ZINC000662783621 412300880 /nfs/dbraw/zinc/30/08/80/412300880.db2.gz FLNWIPOGMWGOHM-UHFFFAOYSA-N 2 0 233.271 -0.437 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000662784155 412301790 /nfs/dbraw/zinc/30/17/90/412301790.db2.gz QYWORIOQHQUEFF-XWLWVQCSSA-N 2 0 223.320 -0.066 20 0 BBADRP C[NH2+]Cc1ccc(NC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662784711 412301426 /nfs/dbraw/zinc/30/14/26/412301426.db2.gz WCHXIIXFYRCLFV-UHFFFAOYSA-N 2 0 235.287 -0.321 20 0 BBADRP [NH3+]CC[C@H](NC(=O)CC1([NH3+])CC1)C(F)F ZINC000662785262 412301333 /nfs/dbraw/zinc/30/13/33/412301333.db2.gz ZMWRPWWJJDPQMC-LURJTMIESA-N 2 0 221.251 -0.034 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)CC1([NH3+])CC1)C(F)F ZINC000662785263 412301394 /nfs/dbraw/zinc/30/13/94/412301394.db2.gz ZMWRPWWJJDPQMC-ZCFIWIBFSA-N 2 0 221.251 -0.034 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C(F)F ZINC000662785296 412301582 /nfs/dbraw/zinc/30/15/82/412301582.db2.gz ZWTBGJMCFCCBFX-ACZMJKKPSA-N 2 0 221.251 -0.178 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C(F)F ZINC000662785297 412301284 /nfs/dbraw/zinc/30/12/84/412301284.db2.gz ZWTBGJMCFCCBFX-FSDSQADBSA-N 2 0 221.251 -0.178 20 0 BBADRP CC(C)[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662785419 412302071 /nfs/dbraw/zinc/30/20/71/412302071.db2.gz HVPUNNQETJXBNE-UHFFFAOYSA-N 2 0 241.335 -0.690 20 0 BBADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C1(O)C[NH2+]C1 ZINC000662790667 412304204 /nfs/dbraw/zinc/30/42/04/412304204.db2.gz FBJGJPZXPQRVRH-JTQLQIEISA-N 2 0 243.351 -0.443 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662791734 412303925 /nfs/dbraw/zinc/30/39/25/412303925.db2.gz RMZJTMHJFKNAPL-XYPYZODXSA-N 2 0 243.351 -0.240 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)CC1([NH3+])CC1 ZINC000662792057 412303687 /nfs/dbraw/zinc/30/36/87/412303687.db2.gz USKJLRSAEFFWJB-UHFFFAOYSA-N 2 0 243.351 -0.096 20 0 BBADRP C[NH+](C)[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662792721 412303986 /nfs/dbraw/zinc/30/39/86/412303986.db2.gz GWGCPMLWPKWBOH-JTQLQIEISA-N 2 0 241.335 -0.737 20 0 BBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662792725 412304138 /nfs/dbraw/zinc/30/41/38/412304138.db2.gz GWGCPMLWPKWBOH-SNVBAGLBSA-N 2 0 241.335 -0.737 20 0 BBADRP CCN(CCC[NH+](C)C)C(=O)C1(O)C[NH2+]C1 ZINC000662795825 409928133 /nfs/dbraw/zinc/92/81/33/409928133.db2.gz QYGOINSRNRCMPU-UHFFFAOYSA-N 2 0 229.324 -0.879 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662797051 412305003 /nfs/dbraw/zinc/30/50/03/412305003.db2.gz UYBSKXIHVBTQFH-MGCOHNPYSA-N 2 0 229.324 -0.582 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000662797516 412304833 /nfs/dbraw/zinc/30/48/33/412304833.db2.gz KUFHTQWGCGOERC-XYPYZODXSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]C1(CC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000662799196 412306736 /nfs/dbraw/zinc/30/67/36/412306736.db2.gz UWNVTFSITFOVNZ-UHFFFAOYSA-N 2 0 241.335 -0.294 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662812644 412308917 /nfs/dbraw/zinc/30/89/17/412308917.db2.gz DPBZUFMCVUREQN-MRVPVSSYSA-N 2 0 239.241 -0.055 20 0 BBADRP CN(CC[NH3+])C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662812653 412308768 /nfs/dbraw/zinc/30/87/68/412308768.db2.gz DPBZUFMCVUREQN-QMMMGPOBSA-N 2 0 239.241 -0.055 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCCO1 ZINC000662814866 412308621 /nfs/dbraw/zinc/30/86/21/412308621.db2.gz RACPBCBOSKJZCI-GUBZILKMSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCCO1 ZINC000662814868 412308418 /nfs/dbraw/zinc/30/84/18/412308418.db2.gz RACPBCBOSKJZCI-OPRDCNLKSA-N 2 0 227.308 -0.700 20 0 BBADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H](C[NH3+])C1CC1 ZINC000662815213 412308653 /nfs/dbraw/zinc/30/86/53/412308653.db2.gz ORXOMWOAVKZXJM-GUBZILKMSA-N 2 0 211.309 -0.081 20 0 BBADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H](C[NH3+])C1CC1 ZINC000662815214 412308445 /nfs/dbraw/zinc/30/84/45/412308445.db2.gz ORXOMWOAVKZXJM-OPRDCNLKSA-N 2 0 211.309 -0.081 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000662817061 412309999 /nfs/dbraw/zinc/30/99/99/412309999.db2.gz ZSCHTSQYJKJBQE-NXEZZACHSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000662817063 412309982 /nfs/dbraw/zinc/30/99/82/412309982.db2.gz ZSCHTSQYJKJBQE-UWVGGRQHSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000662817065 412309427 /nfs/dbraw/zinc/30/94/27/412309427.db2.gz ZSCHTSQYJKJBQE-VHSXEESVSA-N 2 0 241.335 -0.521 20 0 BBADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000662817067 412309815 /nfs/dbraw/zinc/30/98/15/412309815.db2.gz ZSCHTSQYJKJBQE-ZJUUUORDSA-N 2 0 241.335 -0.521 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662817990 412309754 /nfs/dbraw/zinc/30/97/54/412309754.db2.gz ZIGDETVBSQPDCD-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662817991 412310111 /nfs/dbraw/zinc/31/01/11/412310111.db2.gz ZIGDETVBSQPDCD-UWVGGRQHSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662817992 412309720 /nfs/dbraw/zinc/30/97/20/412309720.db2.gz ZIGDETVBSQPDCD-VHSXEESVSA-N 2 0 229.324 -0.582 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662817993 412309657 /nfs/dbraw/zinc/30/96/57/412309657.db2.gz ZIGDETVBSQPDCD-ZJUUUORDSA-N 2 0 229.324 -0.582 20 0 BBADRP Cc1cc(C[NH3+])cc(NC(=O)C2(O)C[NH2+]C2)c1 ZINC000662819154 409932418 /nfs/dbraw/zinc/93/24/18/409932418.db2.gz GPNCSHCKBZGKQJ-UHFFFAOYSA-N 2 0 235.287 -0.273 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)C1(O)C[NH2+]C1 ZINC000662819716 412311059 /nfs/dbraw/zinc/31/10/59/412311059.db2.gz GXXKEMOTQKZZKI-SECBINFHSA-N 2 0 239.319 -0.888 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)C1(O)C[NH2+]C1 ZINC000662819717 412310861 /nfs/dbraw/zinc/31/08/61/412310861.db2.gz GXXKEMOTQKZZKI-VIFPVBQESA-N 2 0 239.319 -0.888 20 0 BBADRP CC(C)[N@@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662821538 412310942 /nfs/dbraw/zinc/31/09/42/412310942.db2.gz GYHFNALJEJCLPF-UHFFFAOYSA-N 2 0 241.335 -0.737 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662821689 412310887 /nfs/dbraw/zinc/31/08/87/412310887.db2.gz NRPYIRUZOMTBRE-AATLWQCWSA-N 2 0 229.324 -0.408 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662821691 412310775 /nfs/dbraw/zinc/31/07/75/412310775.db2.gz NRPYIRUZOMTBRE-AXTSPUMRSA-N 2 0 229.324 -0.408 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662821693 412310891 /nfs/dbraw/zinc/31/08/91/412310891.db2.gz NRPYIRUZOMTBRE-QEYWKRMJSA-N 2 0 229.324 -0.408 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662821694 412310776 /nfs/dbraw/zinc/31/07/76/412310776.db2.gz NRPYIRUZOMTBRE-XKNYDFJKSA-N 2 0 229.324 -0.408 20 0 BBADRP CN(CC1CC[NH+](C)CC1)C(=O)C1(O)C[NH2+]C1 ZINC000662822827 412311644 /nfs/dbraw/zinc/31/16/44/412311644.db2.gz QXTIMVVYSMCTKG-UHFFFAOYSA-N 2 0 241.335 -0.879 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)C1(O)C[NH2+]C1 ZINC000662823276 412299235 /nfs/dbraw/zinc/29/92/35/412299235.db2.gz SJVKDAWNWUDLCF-UHFFFAOYSA-N 2 0 229.324 -0.879 20 0 BBADRP [NH3+]Cc1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662823645 412311943 /nfs/dbraw/zinc/31/19/43/412311943.db2.gz RTMRIHDJQZKUJE-UHFFFAOYSA-N 2 0 235.287 -0.904 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NCCC[NH2+]C2CC2)C1 ZINC000662824488 412312085 /nfs/dbraw/zinc/31/20/85/412312085.db2.gz NVYAJGDXOUGIIY-KYZUINATSA-N 2 0 211.309 -0.018 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000662824515 412312078 /nfs/dbraw/zinc/31/20/78/412312078.db2.gz WGOXGJZNQATNHA-AEJSXWLSSA-N 2 0 231.340 -0.019 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000662824516 412311911 /nfs/dbraw/zinc/31/19/11/412311911.db2.gz WGOXGJZNQATNHA-BBBLOLIVSA-N 2 0 231.340 -0.019 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000662824517 412312166 /nfs/dbraw/zinc/31/21/66/412312166.db2.gz WGOXGJZNQATNHA-GUBZILKMSA-N 2 0 231.340 -0.019 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000662824518 412312122 /nfs/dbraw/zinc/31/21/22/412312122.db2.gz WGOXGJZNQATNHA-UTLUCORTSA-N 2 0 231.340 -0.019 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000662824706 412312985 /nfs/dbraw/zinc/31/29/85/412312985.db2.gz OITLSPQSJCGSFL-NSHDSACASA-N 2 0 243.351 -0.003 20 0 BBADRP [NH3+]CC12CCC(CC1)CN2C(=O)C1(O)C[NH2+]C1 ZINC000662827139 412313012 /nfs/dbraw/zinc/31/30/12/412313012.db2.gz PASVWQNCMZOLQK-UHFFFAOYSA-N 2 0 239.319 -0.949 20 0 BBADRP C[NH2+]Cc1ccccc1CNC(=O)C1(O)C[NH2+]C1 ZINC000662828059 412313698 /nfs/dbraw/zinc/31/36/98/412313698.db2.gz GEHKMPRMTSKUQJ-UHFFFAOYSA-N 2 0 249.314 -0.644 20 0 BBADRP CC(C)C[N@H+](C)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662828250 412307591 /nfs/dbraw/zinc/30/75/91/412307591.db2.gz VBTZXJBTJZQDDQ-UHFFFAOYSA-N 2 0 243.351 -0.585 20 0 BBADRP CCO[C@@H]1CN(C(=O)CC2([NH3+])CC2)C[C@H]1C[NH3+] ZINC000662828563 412314435 /nfs/dbraw/zinc/31/44/35/412314435.db2.gz DVYKPZGYRGZXJK-NXEZZACHSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662830030 412313649 /nfs/dbraw/zinc/31/36/49/412313649.db2.gz RCDXGMUJHDVOGG-KYZUINATSA-N 2 0 211.309 -0.031 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000662831332 412314389 /nfs/dbraw/zinc/31/43/89/412314389.db2.gz YMEFMXUHWUOUOY-GWOFURMSSA-N 2 0 241.335 -0.454 20 0 BBADRP CN(CC[NH+]1CCCCC1)C(=O)C1(O)C[NH2+]C1 ZINC000662831667 412315744 /nfs/dbraw/zinc/31/57/44/412315744.db2.gz GIAHRWIBVOOIDV-UHFFFAOYSA-N 2 0 241.335 -0.735 20 0 BBADRP COC1(C(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]CC1 ZINC000662842225 412318103 /nfs/dbraw/zinc/31/81/03/412318103.db2.gz ILFSYQZMZGBJID-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662844270 412320052 /nfs/dbraw/zinc/32/00/52/412320052.db2.gz RQTWPRNTCADQSE-BDAKNGLRSA-N 2 0 229.324 -0.454 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662844271 412320033 /nfs/dbraw/zinc/32/00/33/412320033.db2.gz RQTWPRNTCADQSE-DTWKUNHWSA-N 2 0 229.324 -0.454 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662844273 412319643 /nfs/dbraw/zinc/31/96/43/412319643.db2.gz RQTWPRNTCADQSE-IUCAKERBSA-N 2 0 229.324 -0.454 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662844274 412319721 /nfs/dbraw/zinc/31/97/21/412319721.db2.gz RQTWPRNTCADQSE-RKDXNWHRSA-N 2 0 229.324 -0.454 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662845191 412319996 /nfs/dbraw/zinc/31/99/96/412319996.db2.gz MVFNYLVBKUFFKG-HLTSFMKQSA-N 2 0 211.309 -0.068 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)COC1(C)C[NH2+]C1 ZINC000662845367 409951105 /nfs/dbraw/zinc/95/11/05/409951105.db2.gz OZRIIIMTIJWMOW-UHFFFAOYSA-N 2 0 229.324 -0.439 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662845464 412319862 /nfs/dbraw/zinc/31/98/62/412319862.db2.gz SAXGGBGVLFMJEY-BRPSZJMVSA-N 2 0 211.309 -0.353 20 0 BBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662854178 412324844 /nfs/dbraw/zinc/32/48/44/412324844.db2.gz SDOOCFNQZZMDRX-SECBINFHSA-N 2 0 241.335 -0.690 20 0 BBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000662854179 412324475 /nfs/dbraw/zinc/32/44/75/412324475.db2.gz SDOOCFNQZZMDRX-VIFPVBQESA-N 2 0 241.335 -0.690 20 0 BBADRP CN(CCC[NH+](C)C)CCNC(=O)C1([NH3+])CC1 ZINC000662857225 412327337 /nfs/dbraw/zinc/32/73/37/412327337.db2.gz IMBNLIVHUAHOBB-UHFFFAOYSA-N 2 0 242.367 -0.523 20 0 BBADRP C[C@@H](CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000662858706 412326994 /nfs/dbraw/zinc/32/69/94/412326994.db2.gz HORRTNOPTUOHHV-UKKRHICBSA-N 2 0 225.336 -0.092 20 0 BBADRP C[C@H](CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000662858709 412326506 /nfs/dbraw/zinc/32/65/06/412326506.db2.gz HORRTNOPTUOHHV-ZNSHCXBVSA-N 2 0 225.336 -0.092 20 0 BBADRP C[C@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000662859419 412327898 /nfs/dbraw/zinc/32/78/98/412327898.db2.gz PDPXVFHEIBODCT-GUBZILKMSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000662859620 412328116 /nfs/dbraw/zinc/32/81/16/412328116.db2.gz PDPXVFHEIBODCT-KXUCPTDWSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000662859621 412328571 /nfs/dbraw/zinc/32/85/71/412328571.db2.gz PDPXVFHEIBODCT-LPEHRKFASA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000662859622 412328393 /nfs/dbraw/zinc/32/83/93/412328393.db2.gz PDPXVFHEIBODCT-UTLUCORTSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H](CCNC(=O)COC1(C)C[NH2+]C1)[NH+](C)C ZINC000662861241 412328698 /nfs/dbraw/zinc/32/86/98/412328698.db2.gz YQBPHBILJXTJKN-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CCNC(=O)COC1(C)C[NH2+]C1)[NH+](C)C ZINC000662861242 412328429 /nfs/dbraw/zinc/32/84/29/412328429.db2.gz YQBPHBILJXTJKN-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[NH+](C)C ZINC000662861295 412328256 /nfs/dbraw/zinc/32/82/56/412328256.db2.gz ZTGPRYNSNZMXJB-GMTAPVOTSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@H](CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+])[NH+](C)C ZINC000662861296 412328496 /nfs/dbraw/zinc/32/84/96/412328496.db2.gz ZTGPRYNSNZMXJB-MXWKQRLJSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@H](CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[NH+](C)C ZINC000662861297 412327719 /nfs/dbraw/zinc/32/77/19/412327719.db2.gz ZTGPRYNSNZMXJB-OUAUKWLOSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@H](CCNC(=O)[C@H]1CCO[C@H]1C[NH3+])[NH+](C)C ZINC000662861298 412327810 /nfs/dbraw/zinc/32/78/10/412327810.db2.gz ZTGPRYNSNZMXJB-VWYCJHECSA-N 2 0 243.351 -0.193 20 0 BBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCCC1 ZINC000662862606 412329416 /nfs/dbraw/zinc/32/94/16/412329416.db2.gz DIBYCUZDHBAZGB-RKDXNWHRSA-N 2 0 227.308 -0.903 20 0 BBADRP [NH3+]C1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCCC1 ZINC000662863385 412329272 /nfs/dbraw/zinc/32/92/72/412329272.db2.gz QLIDTLNRTDNILY-MYJAWHEDSA-N 2 0 223.320 -0.161 20 0 BBADRP CC1(OCC(=O)NCC2([NH3+])CCCC2)C[NH2+]C1 ZINC000662863601 412329869 /nfs/dbraw/zinc/32/98/69/412329869.db2.gz UZDRKPATFYPYNB-UHFFFAOYSA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662864058 409957943 /nfs/dbraw/zinc/95/79/43/409957943.db2.gz HQJQJNQRFLLLED-NXEZZACHSA-N 2 0 241.335 -0.262 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662864059 409957355 /nfs/dbraw/zinc/95/73/55/409957355.db2.gz HQJQJNQRFLLLED-UWVGGRQHSA-N 2 0 241.335 -0.262 20 0 BBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662864060 409957433 /nfs/dbraw/zinc/95/74/33/409957433.db2.gz HQJQJNQRFLLLED-VHSXEESVSA-N 2 0 241.335 -0.262 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662864061 409957956 /nfs/dbraw/zinc/95/79/56/409957956.db2.gz HQJQJNQRFLLLED-ZJUUUORDSA-N 2 0 241.335 -0.262 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662874932 412332560 /nfs/dbraw/zinc/33/25/60/412332560.db2.gz DJEOXLXMOHPDTJ-HGLGOUDKSA-N 2 0 221.304 -0.599 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)CC1([NH3+])CC1 ZINC000662875168 412332551 /nfs/dbraw/zinc/33/25/51/412332551.db2.gz GBHFMQWVDLMNRO-UHFFFAOYSA-N 2 0 209.293 -0.183 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662875238 412331882 /nfs/dbraw/zinc/33/18/82/412331882.db2.gz HLWJWGDMAOHTIM-RDDJWAPESA-N 2 0 209.293 -0.327 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662875240 412332337 /nfs/dbraw/zinc/33/23/37/412332337.db2.gz HLWJWGDMAOHTIM-SNWHPCCYSA-N 2 0 209.293 -0.327 20 0 BBADRP C[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)[NH+](C)C ZINC000662875589 412331852 /nfs/dbraw/zinc/33/18/52/412331852.db2.gz KXACEDDPVRHUFK-SILCLGDVSA-N 2 0 211.309 -0.114 20 0 BBADRP CC1(OCC(=O)N2CC3CC2(C[NH3+])C3)C[NH2+]C1 ZINC000662875634 412329933 /nfs/dbraw/zinc/32/99/33/412329933.db2.gz LGQLKIGVEBCAJS-UHFFFAOYSA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662876063 412333701 /nfs/dbraw/zinc/33/37/01/412333701.db2.gz PHFSHXYOVVYFLP-RRFNDXNDSA-N 2 0 221.304 -0.314 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662921620 412345916 /nfs/dbraw/zinc/34/59/16/412345916.db2.gz AKJAVEZHHPCZJK-UHFFFAOYSA-N 2 0 232.287 -0.024 20 0 BBADRP [NH3+]C1(CC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000662922527 412345665 /nfs/dbraw/zinc/34/56/65/412345665.db2.gz DBHAXNRFKMHYEF-UHFFFAOYSA-N 2 0 209.293 -0.264 20 0 BBADRP C[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)CCC[NH2+]1 ZINC000662922586 412345966 /nfs/dbraw/zinc/34/59/66/412345966.db2.gz KQSMDVHAMSOQSR-ZYXZCXLHSA-N 2 0 223.320 -0.003 20 0 BBADRP CC1(OCC(=O)NCC23CC(C2)C[NH2+]3)C[NH2+]C1 ZINC000662922876 490208752 /nfs/dbraw/zinc/20/87/52/490208752.db2.gz NASSBZSXIQSZJG-UHFFFAOYSA-N 2 0 239.319 -0.767 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662923313 412345691 /nfs/dbraw/zinc/34/56/91/412345691.db2.gz UDDQBEFESZXJBZ-HGLGOUDKSA-N 2 0 221.304 -0.680 20 0 BBADRP C[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC000662923704 412346225 /nfs/dbraw/zinc/34/62/25/412346225.db2.gz YCJPQELAHNBCCX-SILCLGDVSA-N 2 0 211.309 -0.195 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662923761 412347154 /nfs/dbraw/zinc/34/71/54/412347154.db2.gz ZQNICBAGWIJVAU-RRFNDXNDSA-N 2 0 221.304 -0.395 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924009 412347207 /nfs/dbraw/zinc/34/72/07/412347207.db2.gz WMYJMKQUGMDJSJ-RDDJWAPESA-N 2 0 209.293 -0.408 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924010 412341968 /nfs/dbraw/zinc/34/19/68/412341968.db2.gz WMYJMKQUGMDJSJ-SNWHPCCYSA-N 2 0 209.293 -0.408 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000662925441 412347309 /nfs/dbraw/zinc/34/73/09/412347309.db2.gz QHSPZPDHFYYBFE-SQLBVSGCSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000662925442 412347173 /nfs/dbraw/zinc/34/71/73/412347173.db2.gz QHSPZPDHFYYBFE-YZRBJQDESA-N 2 0 223.320 -0.003 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)COC1(C)C[NH2+]C1 ZINC000662926507 412347254 /nfs/dbraw/zinc/34/72/54/412347254.db2.gz LYRVMRPOAKNZSW-SNVBAGLBSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662926754 412347056 /nfs/dbraw/zinc/34/70/56/412347056.db2.gz OWVOVBSZOLVIMH-YTWAJWBKSA-N 2 0 225.336 -0.059 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662926829 412347361 /nfs/dbraw/zinc/34/73/61/412347361.db2.gz XGIXSZRYJZBZQL-AXFHLTTASA-N 2 0 243.351 -0.160 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662926831 412346859 /nfs/dbraw/zinc/34/68/59/412346859.db2.gz XGIXSZRYJZBZQL-GMTAPVOTSA-N 2 0 243.351 -0.160 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662926833 412347045 /nfs/dbraw/zinc/34/70/45/412347045.db2.gz XGIXSZRYJZBZQL-HBNTYKKESA-N 2 0 243.351 -0.160 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662926834 412347305 /nfs/dbraw/zinc/34/73/05/412347305.db2.gz XGIXSZRYJZBZQL-MXWKQRLJSA-N 2 0 243.351 -0.160 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@H]1F ZINC000662944967 412351404 /nfs/dbraw/zinc/35/14/04/412351404.db2.gz DKRVVGJUAPOFGT-IGORNWKESA-N 2 0 227.283 -0.366 20 0 BBADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662944973 412350694 /nfs/dbraw/zinc/35/06/94/412350694.db2.gz DPUAJMUKBVIUCU-BZNPZCIMSA-N 2 0 215.272 -0.379 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662944974 412350913 /nfs/dbraw/zinc/35/09/13/412350913.db2.gz DPUAJMUKBVIUCU-FNCVBFRFSA-N 2 0 215.272 -0.379 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945108 412351724 /nfs/dbraw/zinc/35/17/24/412351724.db2.gz FJNOKNOCDDZNCI-JLIMGVALSA-N 2 0 245.298 -0.752 20 0 BBADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945109 412351489 /nfs/dbraw/zinc/35/14/89/412351489.db2.gz FJNOKNOCDDZNCI-KYXWUPHJSA-N 2 0 245.298 -0.752 20 0 BBADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945110 409983706 /nfs/dbraw/zinc/98/37/06/409983706.db2.gz FJNOKNOCDDZNCI-SGIHWFKDSA-N 2 0 245.298 -0.752 20 0 BBADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945111 409983598 /nfs/dbraw/zinc/98/35/98/409983598.db2.gz FJNOKNOCDDZNCI-ZYUZMQFOSA-N 2 0 245.298 -0.752 20 0 BBADRP C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000662945148 412351446 /nfs/dbraw/zinc/35/14/46/412351446.db2.gz HAROCPNJHOTPFF-DJLDLDEBSA-N 2 0 217.288 -0.166 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[C@H]1F ZINC000662945206 412351028 /nfs/dbraw/zinc/35/10/28/412351028.db2.gz JCKMWUQLZOHTMR-ZOZBQHSOSA-N 2 0 227.283 -0.651 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)CC2([NH3+])CC2)CC[C@H]1F ZINC000662945656 412351527 /nfs/dbraw/zinc/35/15/27/412351527.db2.gz UHBBYCBWNDRLKV-HTQZYQBOSA-N 2 0 215.272 -0.235 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000662953084 412352703 /nfs/dbraw/zinc/35/27/03/412352703.db2.gz JEXCUPVDXOIAAK-BDAKNGLRSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662953085 412352157 /nfs/dbraw/zinc/35/21/57/412352157.db2.gz JEXCUPVDXOIAAK-DTWKUNHWSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000662953086 412353722 /nfs/dbraw/zinc/35/37/22/412353722.db2.gz JEXCUPVDXOIAAK-IUCAKERBSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662953088 412353523 /nfs/dbraw/zinc/35/35/23/412353523.db2.gz JEXCUPVDXOIAAK-RKDXNWHRSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000662953773 412353550 /nfs/dbraw/zinc/35/35/50/412353550.db2.gz PZDKPCRCIVEKCA-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000662953774 412353299 /nfs/dbraw/zinc/35/32/99/412353299.db2.gz PZDKPCRCIVEKCA-UWVGGRQHSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000662953775 412353736 /nfs/dbraw/zinc/35/37/36/412353736.db2.gz PZDKPCRCIVEKCA-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000662953776 412353650 /nfs/dbraw/zinc/35/36/50/412353650.db2.gz PZDKPCRCIVEKCA-ZJUUUORDSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C1(COC)CC[NH2+]CC1 ZINC000662964260 487772381 /nfs/dbraw/zinc/77/23/81/487772381.db2.gz BESNVYLIJJNTRT-JTQLQIEISA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C1(COC)CC[NH2+]CC1 ZINC000662964261 487772511 /nfs/dbraw/zinc/77/25/11/487772511.db2.gz BESNVYLIJJNTRT-SNVBAGLBSA-N 2 0 243.351 -0.273 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)c1c[nH+]ccc1N ZINC000662964528 412356642 /nfs/dbraw/zinc/35/66/42/412356642.db2.gz FXXUWRDTRLIBHX-SSDOTTSWSA-N 2 0 208.265 -0.168 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)c1c[nH+]ccc1N ZINC000662964529 412356702 /nfs/dbraw/zinc/35/67/02/412356702.db2.gz FXXUWRDTRLIBHX-ZETCQYMHSA-N 2 0 208.265 -0.168 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000662964546 412356966 /nfs/dbraw/zinc/35/69/66/412356966.db2.gz GGYLSXMMYKHVGD-BDAKNGLRSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000662964547 412356776 /nfs/dbraw/zinc/35/67/76/412356776.db2.gz GGYLSXMMYKHVGD-DTWKUNHWSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000662964548 412356558 /nfs/dbraw/zinc/35/65/58/412356558.db2.gz GGYLSXMMYKHVGD-IUCAKERBSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000662964549 412356878 /nfs/dbraw/zinc/35/68/78/412356878.db2.gz GGYLSXMMYKHVGD-RKDXNWHRSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[C@H](C[NH3+])OC ZINC000662964562 412356646 /nfs/dbraw/zinc/35/66/46/412356646.db2.gz GPFFCSUMROAHEW-HTQZYQBOSA-N 2 0 203.286 -0.926 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[C@H](C[NH3+])OC ZINC000662964563 412356829 /nfs/dbraw/zinc/35/68/29/412356829.db2.gz GPFFCSUMROAHEW-JGVFFNPUSA-N 2 0 203.286 -0.926 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C[NH3+])OC ZINC000662964564 412357022 /nfs/dbraw/zinc/35/70/22/412357022.db2.gz GPFFCSUMROAHEW-SFYZADRCSA-N 2 0 203.286 -0.926 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H](C[NH3+])OC ZINC000662964565 412357015 /nfs/dbraw/zinc/35/70/15/412357015.db2.gz GPFFCSUMROAHEW-YUMQZZPRSA-N 2 0 203.286 -0.926 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662965054 412358126 /nfs/dbraw/zinc/35/81/26/412358126.db2.gz KUJRPUOBIRKWTD-ATZCPNFKSA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662965056 412357972 /nfs/dbraw/zinc/35/79/72/412357972.db2.gz KUJRPUOBIRKWTD-IQJOONFLSA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662965057 412357739 /nfs/dbraw/zinc/35/77/39/412357739.db2.gz KUJRPUOBIRKWTD-NGZCFLSTSA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662965058 412357775 /nfs/dbraw/zinc/35/77/75/412357775.db2.gz KUJRPUOBIRKWTD-QXEWZRGKSA-N 2 0 211.309 -0.290 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000662965223 487773905 /nfs/dbraw/zinc/77/39/05/487773905.db2.gz NCDMVAHIBRMCKE-HTQZYQBOSA-N 2 0 235.278 -0.045 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000662965225 487773738 /nfs/dbraw/zinc/77/37/38/487773738.db2.gz NCDMVAHIBRMCKE-JGVFFNPUSA-N 2 0 235.278 -0.045 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000662965230 487773894 /nfs/dbraw/zinc/77/38/94/487773894.db2.gz NCDMVAHIBRMCKE-SFYZADRCSA-N 2 0 235.278 -0.045 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000662965233 487773762 /nfs/dbraw/zinc/77/37/62/487773762.db2.gz NCDMVAHIBRMCKE-YUMQZZPRSA-N 2 0 235.278 -0.045 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000662965714 487774690 /nfs/dbraw/zinc/77/46/90/487774690.db2.gz MBOXIBTXLDJDLU-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000662965715 487774714 /nfs/dbraw/zinc/77/47/14/487774714.db2.gz MBOXIBTXLDJDLU-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000662966298 412357372 /nfs/dbraw/zinc/35/73/72/412357372.db2.gz XERWPOATJIKSJD-SSDOTTSWSA-N 2 0 242.348 -0.018 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000662966299 412357929 /nfs/dbraw/zinc/35/79/29/412357929.db2.gz XERWPOATJIKSJD-ZETCQYMHSA-N 2 0 242.348 -0.018 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000662966329 412358240 /nfs/dbraw/zinc/35/82/40/412358240.db2.gz XTERXRASIVJTEL-MRVPVSSYSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000662966330 412358597 /nfs/dbraw/zinc/35/85/97/412358597.db2.gz XTERXRASIVJTEL-QMMMGPOBSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000662966543 412358918 /nfs/dbraw/zinc/35/89/18/412358918.db2.gz ZOOYJQKFZDSGDA-KPPDAEKUSA-N 2 0 243.351 -0.003 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000662966544 412358422 /nfs/dbraw/zinc/35/84/22/412358422.db2.gz ZOOYJQKFZDSGDA-WHXUTIOJSA-N 2 0 243.351 -0.003 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000662966612 412358398 /nfs/dbraw/zinc/35/83/98/412358398.db2.gz AMUSIFYSTXIJGD-GXSJLCMTSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000662966614 412358626 /nfs/dbraw/zinc/35/86/26/412358626.db2.gz AMUSIFYSTXIJGD-KOLCDFICSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000662966615 412359034 /nfs/dbraw/zinc/35/90/34/412359034.db2.gz AMUSIFYSTXIJGD-MWLCHTKSSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000662966618 412359040 /nfs/dbraw/zinc/35/90/40/412359040.db2.gz AMUSIFYSTXIJGD-ONGXEEELSA-N 2 0 229.324 -0.663 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000662966993 412359074 /nfs/dbraw/zinc/35/90/74/412359074.db2.gz WVUJNVFBRQXPGB-BDAKNGLRSA-N 2 0 231.365 -0.194 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000662966994 412358355 /nfs/dbraw/zinc/35/83/55/412358355.db2.gz WVUJNVFBRQXPGB-DTWKUNHWSA-N 2 0 231.365 -0.194 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000662966995 412358645 /nfs/dbraw/zinc/35/86/45/412358645.db2.gz WVUJNVFBRQXPGB-IUCAKERBSA-N 2 0 231.365 -0.194 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000662966996 412358268 /nfs/dbraw/zinc/35/82/68/412358268.db2.gz WVUJNVFBRQXPGB-RKDXNWHRSA-N 2 0 231.365 -0.194 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000662967244 412358343 /nfs/dbraw/zinc/35/83/43/412358343.db2.gz YCVUAQPAPQPLLK-MRVPVSSYSA-N 2 0 222.292 -0.122 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000662967245 412359029 /nfs/dbraw/zinc/35/90/29/412359029.db2.gz YCVUAQPAPQPLLK-QMMMGPOBSA-N 2 0 222.292 -0.122 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000662967280 490246534 /nfs/dbraw/zinc/24/65/34/490246534.db2.gz ZADSEWRJQMDGBA-MRVPVSSYSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000662967281 490246551 /nfs/dbraw/zinc/24/65/51/490246551.db2.gz ZADSEWRJQMDGBA-QMMMGPOBSA-N 2 0 215.297 -0.911 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662970158 409998806 /nfs/dbraw/zinc/99/88/06/409998806.db2.gz VJIMDHOEWXZZCH-BDAKNGLRSA-N 2 0 217.313 -0.537 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662970159 409999270 /nfs/dbraw/zinc/99/92/70/409999270.db2.gz VJIMDHOEWXZZCH-IUCAKERBSA-N 2 0 217.313 -0.537 20 0 BBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C[NH3+])CCO1 ZINC000662971437 412362156 /nfs/dbraw/zinc/36/21/56/412362156.db2.gz AGJKDDHXTBYCAF-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C[NH3+])CCO1 ZINC000662971438 412361963 /nfs/dbraw/zinc/36/19/63/412361963.db2.gz AGJKDDHXTBYCAF-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP C[NH2+]CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662971591 412361622 /nfs/dbraw/zinc/36/16/22/412361622.db2.gz CDBCMPLGYJKGRH-LLVKDONJSA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH2+]CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662971592 412361904 /nfs/dbraw/zinc/36/19/04/412361904.db2.gz CDBCMPLGYJKGRH-NSHDSACASA-N 2 0 243.351 -0.225 20 0 BBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CC[NH3+])CCO1 ZINC000662971749 412362060 /nfs/dbraw/zinc/36/20/60/412362060.db2.gz FEXXPHLHQOJIOE-LLVKDONJSA-N 2 0 243.351 -0.096 20 0 BBADRP C[NH+](C)CCC[C@H]1CN(C(=O)CC[NH3+])CCO1 ZINC000662971750 412361246 /nfs/dbraw/zinc/36/12/46/412361246.db2.gz FEXXPHLHQOJIOE-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662972452 412361356 /nfs/dbraw/zinc/36/13/56/412361356.db2.gz JHFAGNXEHGONSC-GHMZBOCLSA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972454 412362033 /nfs/dbraw/zinc/36/20/33/412362033.db2.gz JHFAGNXEHGONSC-MNOVXSKESA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972456 412361762 /nfs/dbraw/zinc/36/17/62/412361762.db2.gz JHFAGNXEHGONSC-QWRGUYRKSA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662972458 412361491 /nfs/dbraw/zinc/36/14/91/412361491.db2.gz JHFAGNXEHGONSC-WDEREUQCSA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@@]1(NC(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000663003005 412366793 /nfs/dbraw/zinc/36/67/93/412366793.db2.gz BTZKGLSPRRWFCL-GXSJLCMTSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@]1(NC(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000663003006 412367171 /nfs/dbraw/zinc/36/71/71/412367171.db2.gz BTZKGLSPRRWFCL-KOLCDFICSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(NC(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000663003007 412366211 /nfs/dbraw/zinc/36/62/11/412366211.db2.gz BTZKGLSPRRWFCL-MWLCHTKSSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@]1(NC(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000663003008 412366232 /nfs/dbraw/zinc/36/62/32/412366232.db2.gz BTZKGLSPRRWFCL-ONGXEEELSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(NC(=O)C[NH2+]CC2CC2)CC[NH2+]C1 ZINC000663003837 412367587 /nfs/dbraw/zinc/36/75/87/412367587.db2.gz JTJRCRSOTNFBIL-LLVKDONJSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(NC(=O)C[NH2+]CC2CC2)CC[NH2+]C1 ZINC000663003838 412367627 /nfs/dbraw/zinc/36/76/27/412367627.db2.gz JTJRCRSOTNFBIL-NSHDSACASA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(NC(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000663003902 412367136 /nfs/dbraw/zinc/36/71/36/412367136.db2.gz KGYMOAZUNIPFED-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@]1(NC(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000663003905 412366259 /nfs/dbraw/zinc/36/62/59/412366259.db2.gz KGYMOAZUNIPFED-MWLCHTKSSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@]1(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000663004272 412367537 /nfs/dbraw/zinc/36/75/37/412367537.db2.gz NMRURJMIMQLPNE-CMPLNLGQSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@]1(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000663004273 412367573 /nfs/dbraw/zinc/36/75/73/412367573.db2.gz NMRURJMIMQLPNE-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@]1(NC(=O)C[NH2+]C[C@H]2CCCO2)CC[NH2+]C1 ZINC000663004274 412367786 /nfs/dbraw/zinc/36/77/86/412367786.db2.gz NMRURJMIMQLPNE-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@]1(NC(=O)C[NH2+]C[C@H]2CCCO2)CC[NH2+]C1 ZINC000663004275 412367917 /nfs/dbraw/zinc/36/79/17/412367917.db2.gz NMRURJMIMQLPNE-ZYHUDNBSSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@]1(NC(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663004729 412367856 /nfs/dbraw/zinc/36/78/56/412367856.db2.gz QYFSSZSWZCUIMQ-GXSJLCMTSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@]1(NC(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663004731 412367861 /nfs/dbraw/zinc/36/78/61/412367861.db2.gz QYFSSZSWZCUIMQ-KOLCDFICSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@@]1(NC(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663004733 412368152 /nfs/dbraw/zinc/36/81/52/412368152.db2.gz QYFSSZSWZCUIMQ-MWLCHTKSSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@]1(NC(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663004735 412367593 /nfs/dbraw/zinc/36/75/93/412367593.db2.gz QYFSSZSWZCUIMQ-ONGXEEELSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@@]1(NC(=O)C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000663005061 412367510 /nfs/dbraw/zinc/36/75/10/412367510.db2.gz UKVAIMLTOLGMBH-LLVKDONJSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(NC(=O)C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000663005062 412368006 /nfs/dbraw/zinc/36/80/06/412368006.db2.gz UKVAIMLTOLGMBH-NSHDSACASA-N 2 0 211.309 -0.146 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663005652 412355511 /nfs/dbraw/zinc/35/55/11/412355511.db2.gz YZHOYPPPPKOOEQ-JTQLQIEISA-N 2 0 215.297 -0.909 20 0 BBADRP COCC[NH2+]CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663005656 412355613 /nfs/dbraw/zinc/35/56/13/412355613.db2.gz YZHOYPPPPKOOEQ-SNVBAGLBSA-N 2 0 215.297 -0.909 20 0 BBADRP C[C@@]1(NC(=O)C[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000663009187 410026321 /nfs/dbraw/zinc/02/63/21/410026321.db2.gz AWUNVVPBIDOHOW-GXSJLCMTSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(NC(=O)C[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000663009189 410026372 /nfs/dbraw/zinc/02/63/72/410026372.db2.gz AWUNVVPBIDOHOW-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@@]1(NC(=O)C[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000663009190 410025734 /nfs/dbraw/zinc/02/57/34/410025734.db2.gz AWUNVVPBIDOHOW-MWLCHTKSSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1(NC(=O)C[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000663009192 410026396 /nfs/dbraw/zinc/02/63/96/410026396.db2.gz AWUNVVPBIDOHOW-ONGXEEELSA-N 2 0 211.309 -0.146 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663009633 412368769 /nfs/dbraw/zinc/36/87/69/412368769.db2.gz GKGWWMUYNNXMRT-GZMMTYOYSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663009634 412368579 /nfs/dbraw/zinc/36/85/79/412368579.db2.gz GKGWWMUYNNXMRT-KCJUWKMLSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663009635 412368511 /nfs/dbraw/zinc/36/85/11/412368511.db2.gz GKGWWMUYNNXMRT-KWQFWETISA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663009636 412368893 /nfs/dbraw/zinc/36/88/93/412368893.db2.gz GKGWWMUYNNXMRT-LDYMZIIASA-N 2 0 211.309 -0.147 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010134 410028380 /nfs/dbraw/zinc/02/83/80/410028380.db2.gz IEPXNPUWEOIBHK-PSASIEDQSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010136 410028178 /nfs/dbraw/zinc/02/81/78/410028178.db2.gz IEPXNPUWEOIBHK-SCZZXKLOSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010140 410028337 /nfs/dbraw/zinc/02/83/37/410028337.db2.gz IEPXNPUWEOIBHK-WCBMZHEXSA-N 2 0 215.297 -0.782 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010142 410028449 /nfs/dbraw/zinc/02/84/49/410028449.db2.gz IEPXNPUWEOIBHK-WPRPVWTQSA-N 2 0 215.297 -0.782 20 0 BBADRP CC1(OCC(=O)N[C@@]2(C)CC[NH2+]C2)C[NH2+]C1 ZINC000663010194 412368607 /nfs/dbraw/zinc/36/86/07/412368607.db2.gz INYHIAPIQCTPKQ-JTQLQIEISA-N 2 0 227.308 -0.767 20 0 BBADRP CC1(OCC(=O)N[C@]2(C)CC[NH2+]C2)C[NH2+]C1 ZINC000663010196 412369122 /nfs/dbraw/zinc/36/91/22/412369122.db2.gz INYHIAPIQCTPKQ-SNVBAGLBSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010868 410027769 /nfs/dbraw/zinc/02/77/69/410027769.db2.gz KWHPGPRBVSYZTB-ATZCPNFKSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010870 410028400 /nfs/dbraw/zinc/02/84/00/410028400.db2.gz KWHPGPRBVSYZTB-IQJOONFLSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010871 410028093 /nfs/dbraw/zinc/02/80/93/410028093.db2.gz KWHPGPRBVSYZTB-NGZCFLSTSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010872 410027660 /nfs/dbraw/zinc/02/76/60/410027660.db2.gz KWHPGPRBVSYZTB-QXEWZRGKSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@]1(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]C1 ZINC000663010939 412369753 /nfs/dbraw/zinc/36/97/53/412369753.db2.gz MISYEVAFASDWDW-ADEWGFFLSA-N 2 0 223.320 -0.146 20 0 BBADRP C[C@]1(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC[NH2+]C1 ZINC000663010941 412370124 /nfs/dbraw/zinc/37/01/24/412370124.db2.gz MISYEVAFASDWDW-DLOVCJGASA-N 2 0 223.320 -0.146 20 0 BBADRP C[C@]1(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC[NH2+]C1 ZINC000663010942 412370318 /nfs/dbraw/zinc/37/03/18/412370318.db2.gz MISYEVAFASDWDW-USWWRNFRSA-N 2 0 223.320 -0.146 20 0 BBADRP C[C@]1(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]C1 ZINC000663010943 412370180 /nfs/dbraw/zinc/37/01/80/412370180.db2.gz MISYEVAFASDWDW-ZMLRMANQSA-N 2 0 223.320 -0.146 20 0 BBADRP C[C@@]1(NC(=O)CCOC2C[NH2+]C2)CC[NH2+]C1 ZINC000663010954 412369951 /nfs/dbraw/zinc/36/99/51/412369951.db2.gz MSWVYYZBZDCCNP-LLVKDONJSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@]1(NC(=O)CCOC2C[NH2+]C2)CC[NH2+]C1 ZINC000663010955 412369631 /nfs/dbraw/zinc/36/96/31/412369631.db2.gz MSWVYYZBZDCCNP-NSHDSACASA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@]1(NC(=O)C[C@H]2CSCC[NH2+]2)CC[NH2+]C1 ZINC000663012130 412369849 /nfs/dbraw/zinc/36/98/49/412369849.db2.gz UMXZTJDYHMQMQQ-GXSJLCMTSA-N 2 0 243.376 -0.050 20 0 BBADRP C[C@]1(NC(=O)C[C@@H]2CSCC[NH2+]2)CC[NH2+]C1 ZINC000663012131 412369728 /nfs/dbraw/zinc/36/97/28/412369728.db2.gz UMXZTJDYHMQMQQ-KOLCDFICSA-N 2 0 243.376 -0.050 20 0 BBADRP C[C@@]1(NC(=O)C[C@@H]2CSCC[NH2+]2)CC[NH2+]C1 ZINC000663012132 412370055 /nfs/dbraw/zinc/37/00/55/412370055.db2.gz UMXZTJDYHMQMQQ-MWLCHTKSSA-N 2 0 243.376 -0.050 20 0 BBADRP C[C@]1(NC(=O)C[C@H]2CSCC[NH2+]2)CC[NH2+]C1 ZINC000663012133 412370345 /nfs/dbraw/zinc/37/03/45/412370345.db2.gz UMXZTJDYHMQMQQ-ONGXEEELSA-N 2 0 243.376 -0.050 20 0 BBADRP C[C@]1(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]C1 ZINC000663012734 412371066 /nfs/dbraw/zinc/37/10/66/412371066.db2.gz YIXYWFSWJSJFNI-SJQPAMGKSA-N 2 0 209.293 -0.680 20 0 BBADRP C[C@@]1(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]C1 ZINC000663012735 412370639 /nfs/dbraw/zinc/37/06/39/412370639.db2.gz YIXYWFSWJSJFNI-UYAYMFIHSA-N 2 0 209.293 -0.680 20 0 BBADRP C[C@@]1(NC(=O)COC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000663013425 412371216 /nfs/dbraw/zinc/37/12/16/412371216.db2.gz NIWPNOQFCDXPTE-GFCCVEGCSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@]1(NC(=O)COC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000663013427 412370753 /nfs/dbraw/zinc/37/07/53/412370753.db2.gz NIWPNOQFCDXPTE-LBPRGKRZSA-N 2 0 241.335 -0.377 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663013668 634557003 /nfs/dbraw/zinc/55/70/03/634557003.db2.gz FNWWMLJJGGOWBZ-GXSJLCMTSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@@]1(NC(=O)CC[NH2+]C2CC2)CC[NH2+]C1 ZINC000663013973 634558509 /nfs/dbraw/zinc/55/85/09/634558509.db2.gz IDLZYAANXYLOFS-LLVKDONJSA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@]1(NC(=O)CC[NH2+]C2CC2)CC[NH2+]C1 ZINC000663013974 642516547 /nfs/dbraw/zinc/51/65/47/642516547.db2.gz IDLZYAANXYLOFS-NSHDSACASA-N 2 0 211.309 -0.003 20 0 BBADRP C[C@]1(NC(=O)CC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000663014032 487814095 /nfs/dbraw/zinc/81/40/95/487814095.db2.gz SEDISKZYHBFAJQ-JTQLQIEISA-N 2 0 211.309 -0.016 20 0 BBADRP C[C@@]1(NC(=O)CC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000663014048 487814088 /nfs/dbraw/zinc/81/40/88/487814088.db2.gz SEDISKZYHBFAJQ-SNVBAGLBSA-N 2 0 211.309 -0.016 20 0 BBADRP C[C@@]1(CN2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC000663217086 412393715 /nfs/dbraw/zinc/39/37/15/412393715.db2.gz BVTSHJIGABRAQB-LLVKDONJSA-N 2 0 225.336 -0.340 20 0 BBADRP C[C@]1(CN2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC000663217088 412393598 /nfs/dbraw/zinc/39/35/98/412393598.db2.gz BVTSHJIGABRAQB-NSHDSACASA-N 2 0 225.336 -0.340 20 0 BBADRP [NH3+]CC1(CC(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC000663217602 412393090 /nfs/dbraw/zinc/39/30/90/412393090.db2.gz OFWCTLLAUPOJAQ-UHFFFAOYSA-N 2 0 239.319 -0.684 20 0 BBADRP C(N1CCOC2(C[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663217801 412393657 /nfs/dbraw/zinc/39/36/57/412393657.db2.gz RNWJLCPTYUOGIF-MNOVXSKESA-N 2 0 223.320 -0.730 20 0 BBADRP C(N1CCOC2(C[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663217805 412393534 /nfs/dbraw/zinc/39/35/34/412393534.db2.gz RNWJLCPTYUOGIF-WDEREUQCSA-N 2 0 223.320 -0.730 20 0 BBADRP [NH3+]Cc1nnnn1Cc1cccc2c1CC[NH2+]C2 ZINC000663378332 411642447 /nfs/dbraw/zinc/64/24/47/411642447.db2.gz AVXSDCSAWWEYAN-UHFFFAOYSA-N 2 0 244.302 -0.174 20 0 BBADRP CC(C)[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663485049 411669507 /nfs/dbraw/zinc/66/95/07/411669507.db2.gz LMYMGHWUNNERPG-VIFPVBQESA-N 2 0 227.308 -0.830 20 0 BBADRP CC(C)C[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663485194 411669509 /nfs/dbraw/zinc/66/95/09/411669509.db2.gz NIAUOZQNKNVIGH-JTQLQIEISA-N 2 0 241.335 -0.439 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663485195 411669798 /nfs/dbraw/zinc/66/97/98/411669798.db2.gz NIAUOZQNKNVIGH-SNVBAGLBSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663485685 411670148 /nfs/dbraw/zinc/67/01/48/411670148.db2.gz WBXCWDHHCZJQKM-UWVGGRQHSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663485687 411669708 /nfs/dbraw/zinc/66/97/08/411669708.db2.gz WBXCWDHHCZJQKM-ZJUUUORDSA-N 2 0 241.335 -0.439 20 0 BBADRP CCC[C@@](C)([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663485824 411669216 /nfs/dbraw/zinc/66/92/16/411669216.db2.gz ZCYXXNQKCUCGRC-LLVKDONJSA-N 2 0 241.335 -0.295 20 0 BBADRP CCC[C@](C)([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663485825 411669904 /nfs/dbraw/zinc/66/99/04/411669904.db2.gz ZCYXXNQKCUCGRC-NSHDSACASA-N 2 0 241.335 -0.295 20 0 BBADRP CC[NH+](CC)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663487414 411670044 /nfs/dbraw/zinc/67/00/44/411670044.db2.gz HGZHLMFBMGPGOU-UHFFFAOYSA-N 2 0 241.335 -0.471 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663489338 411671463 /nfs/dbraw/zinc/67/14/63/411671463.db2.gz OKIRSAYWLNOIBC-UHFFFAOYSA-N 2 0 241.335 -0.473 20 0 BBADRP CC(C)[NH2+]CCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490488 411670594 /nfs/dbraw/zinc/67/05/94/411670594.db2.gz AOIUCXPQFIIDAE-UHFFFAOYSA-N 2 0 241.335 -0.425 20 0 BBADRP [NH3+][C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)C1CCC1 ZINC000663490492 411671855 /nfs/dbraw/zinc/67/18/55/411671855.db2.gz AQNAEGJQLPADST-JTQLQIEISA-N 2 0 239.319 -0.685 20 0 BBADRP [NH3+][C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)C1CCC1 ZINC000663490493 411671411 /nfs/dbraw/zinc/67/14/11/411671411.db2.gz AQNAEGJQLPADST-SNVBAGLBSA-N 2 0 239.319 -0.685 20 0 BBADRP C[NH2+]CCCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490545 411671825 /nfs/dbraw/zinc/67/18/25/411671825.db2.gz CKMODWIXZYAYHK-UHFFFAOYSA-N 2 0 227.308 -0.813 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490551 411671646 /nfs/dbraw/zinc/67/16/46/411671646.db2.gz CLXWPXXUBUSLHQ-SECBINFHSA-N 2 0 239.319 -0.815 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490552 411670756 /nfs/dbraw/zinc/67/07/56/411670756.db2.gz CLXWPXXUBUSLHQ-VIFPVBQESA-N 2 0 239.319 -0.815 20 0 BBADRP CCC[N@H+](C)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490656 411670619 /nfs/dbraw/zinc/67/06/19/411670619.db2.gz WPHYEPGVKLVBDE-UHFFFAOYSA-N 2 0 241.335 -0.471 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490904 411671287 /nfs/dbraw/zinc/67/12/87/411671287.db2.gz CLRAOYQJXNCFCD-UHFFFAOYSA-N 2 0 227.308 -0.815 20 0 BBADRP O=C(CC[NH2+]C1CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663491333 411671652 /nfs/dbraw/zinc/67/16/52/411671652.db2.gz DUYUINJQYCTYLC-UHFFFAOYSA-N 2 0 239.319 -0.671 20 0 BBADRP CC(C)[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491647 411670966 /nfs/dbraw/zinc/67/09/66/411670966.db2.gz LMYMGHWUNNERPG-SECBINFHSA-N 2 0 227.308 -0.830 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491810 411671597 /nfs/dbraw/zinc/67/15/97/411671597.db2.gz JRZPLBRKKTZCIR-VHSXEESVSA-N 2 0 239.319 -0.685 20 0 BBADRP CCC[NH2+][C@@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491921 411670849 /nfs/dbraw/zinc/67/08/49/411670849.db2.gz NFCDCNJANOPDDB-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP CCC[NH2+][C@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491922 411671590 /nfs/dbraw/zinc/67/15/90/411671590.db2.gz NFCDCNJANOPDDB-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]([NH3+])CCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491925 411671265 /nfs/dbraw/zinc/67/12/65/411671265.db2.gz NKMYDXJYAHFURB-SECBINFHSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@H]([NH3+])CCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491926 411671223 /nfs/dbraw/zinc/67/12/23/411671223.db2.gz NKMYDXJYAHFURB-VIFPVBQESA-N 2 0 227.308 -0.685 20 0 BBADRP O=C(C[NH2+]CC1CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663492237 411671171 /nfs/dbraw/zinc/67/11/71/411671171.db2.gz QATPULWVHKMLFN-UHFFFAOYSA-N 2 0 239.319 -0.813 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492273 488042338 /nfs/dbraw/zinc/04/23/38/488042338.db2.gz RHHDFDAPXURZKA-SECBINFHSA-N 2 0 227.308 -0.957 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492274 488042351 /nfs/dbraw/zinc/04/23/51/488042351.db2.gz RHHDFDAPXURZKA-VIFPVBQESA-N 2 0 227.308 -0.957 20 0 BBADRP O=C([C@@H]1CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663492282 411670828 /nfs/dbraw/zinc/67/08/28/411670828.db2.gz RPBUTDXZBKIHGL-SNVBAGLBSA-N 2 0 239.319 -0.813 20 0 BBADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663492423 411671633 /nfs/dbraw/zinc/67/16/33/411671633.db2.gz SWCIAXUILOXJJP-JTQLQIEISA-N 2 0 239.319 -0.671 20 0 BBADRP O=C(C[C@H]1CCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663492424 411670608 /nfs/dbraw/zinc/67/06/08/411670608.db2.gz SWCIAXUILOXJJP-SNVBAGLBSA-N 2 0 239.319 -0.671 20 0 BBADRP CC(C)([NH3+])CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492453 411670574 /nfs/dbraw/zinc/67/05/74/411670574.db2.gz UTZFULOYKZWBGT-UHFFFAOYSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC000663492458 411671614 /nfs/dbraw/zinc/67/16/14/411671614.db2.gz UXAXXSQQLPCZTO-LLVKDONJSA-N 2 0 239.319 -0.813 20 0 BBADRP C[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC000663492459 411670491 /nfs/dbraw/zinc/67/04/91/411670491.db2.gz UXAXXSQQLPCZTO-NSHDSACASA-N 2 0 239.319 -0.813 20 0 BBADRP [NH3+]C1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCC1 ZINC000663492477 411671076 /nfs/dbraw/zinc/67/10/76/411671076.db2.gz VOGQZVHQDUPHIK-UHFFFAOYSA-N 2 0 225.292 -0.931 20 0 BBADRP C[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[C@H](C)[NH3+] ZINC000663492732 411671351 /nfs/dbraw/zinc/67/13/51/411671351.db2.gz XCJABFXXGJFYFM-BDAKNGLRSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492733 411666567 /nfs/dbraw/zinc/66/65/67/411666567.db2.gz XCJABFXXGJFYFM-DTWKUNHWSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492734 411667534 /nfs/dbraw/zinc/66/75/34/411667534.db2.gz XCJABFXXGJFYFM-IUCAKERBSA-N 2 0 227.308 -0.830 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492735 411666208 /nfs/dbraw/zinc/66/62/08/411666208.db2.gz XCJABFXXGJFYFM-RKDXNWHRSA-N 2 0 227.308 -0.830 20 0 BBADRP CC(C)(C[NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492741 411671402 /nfs/dbraw/zinc/67/14/02/411671402.db2.gz XFEIYVIEHMGXPX-UHFFFAOYSA-N 2 0 227.308 -0.828 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492748 411670585 /nfs/dbraw/zinc/67/05/85/411670585.db2.gz XLEGNXZRTKMHOK-NXEZZACHSA-N 2 0 239.319 -0.815 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492749 411671806 /nfs/dbraw/zinc/67/18/06/411671806.db2.gz XLEGNXZRTKMHOK-UWVGGRQHSA-N 2 0 239.319 -0.815 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492750 411671772 /nfs/dbraw/zinc/67/17/72/411671772.db2.gz XLEGNXZRTKMHOK-VHSXEESVSA-N 2 0 239.319 -0.815 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492751 411670805 /nfs/dbraw/zinc/67/08/05/411670805.db2.gz XLEGNXZRTKMHOK-ZJUUUORDSA-N 2 0 239.319 -0.815 20 0 BBADRP [NH3+]C1(CC(=O)N2CCOC3(C[NH2+]C3)C2)CCC1 ZINC000663492800 411670518 /nfs/dbraw/zinc/67/05/18/411670518.db2.gz ZFNRWXZSAWEOLD-UHFFFAOYSA-N 2 0 239.319 -0.541 20 0 BBADRP C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663492901 411670793 /nfs/dbraw/zinc/67/07/93/411670793.db2.gz DOVAXJXUINSNHM-KXNHARMFSA-N 2 0 207.321 -0.253 20 0 BBADRP C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663492903 411671417 /nfs/dbraw/zinc/67/14/17/411671417.db2.gz DOVAXJXUINSNHM-WHOHXGKFSA-N 2 0 207.321 -0.253 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663493139 488042534 /nfs/dbraw/zinc/04/25/34/488042534.db2.gz YXFGEOCBGKECMX-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663493143 488043009 /nfs/dbraw/zinc/04/30/09/488043009.db2.gz YXFGEOCBGKECMX-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP C(C[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)CN1CC[NH2+]CC1 ZINC000663493171 411672556 /nfs/dbraw/zinc/67/25/56/411672556.db2.gz GFGCDLHQMOPVIL-CHWSQXEVSA-N 3 0 238.379 -0.519 20 0 BBADRP C(C[NH2+]C[C@]12C[C@H]1C[NH2+]C2)CN1CC[NH2+]CC1 ZINC000663493193 411673485 /nfs/dbraw/zinc/67/34/85/411673485.db2.gz GFGCDLHQMOPVIL-STQMWFEESA-N 3 0 238.379 -0.519 20 0 BBADRP C(CN1CC[NH2+]CC1)[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494319 411672825 /nfs/dbraw/zinc/67/28/25/411672825.db2.gz NUMYZMYWCDVYDR-RYUDHWBXSA-N 3 0 224.352 -0.909 20 0 BBADRP C(CN1CC[NH2+]CC1)[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494321 411673226 /nfs/dbraw/zinc/67/32/26/411673226.db2.gz NUMYZMYWCDVYDR-VXGBXAGGSA-N 3 0 224.352 -0.909 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)CCO1 ZINC000663494687 411674589 /nfs/dbraw/zinc/67/45/89/411674589.db2.gz QQIIRQGGSNPYCH-HBNTYKKESA-N 2 0 211.309 -0.745 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CCO1 ZINC000663494688 411674708 /nfs/dbraw/zinc/67/47/08/411674708.db2.gz QQIIRQGGSNPYCH-MXWKQRLJSA-N 2 0 211.309 -0.745 20 0 BBADRP COCC[NH2+]CCNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495531 411669524 /nfs/dbraw/zinc/66/95/24/411669524.db2.gz YQNHHMXQLZNBBA-GHMZBOCLSA-N 2 0 213.325 -0.579 20 0 BBADRP COCC[NH2+]CCNC[C@]12C[C@H]1C[NH2+]C2 ZINC000663495534 411669078 /nfs/dbraw/zinc/66/90/78/411669078.db2.gz YQNHHMXQLZNBBA-QWRGUYRKSA-N 2 0 213.325 -0.579 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496347 411676911 /nfs/dbraw/zinc/67/69/11/411676911.db2.gz USSLROJVKSAPQF-OLZOCXBDSA-N 2 0 238.379 -0.567 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496348 411677818 /nfs/dbraw/zinc/67/78/18/411677818.db2.gz USSLROJVKSAPQF-QWHCGFSZSA-N 2 0 238.379 -0.567 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)CCO1 ZINC000663496397 411676904 /nfs/dbraw/zinc/67/69/04/411676904.db2.gz VRWITNSACXHASF-FIQHERPVSA-N 2 0 225.336 -0.356 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CCO1 ZINC000663496398 411677568 /nfs/dbraw/zinc/67/75/68/411677568.db2.gz VRWITNSACXHASF-USZNOCQGSA-N 2 0 225.336 -0.356 20 0 BBADRP COC[C@]1(CNC[C@@]23C[C@@H]2C[NH2+]C3)CCC[NH2+]1 ZINC000663496424 488045640 /nfs/dbraw/zinc/04/56/40/488045640.db2.gz GDWCYIXNOVIASD-FRRDWIJNSA-N 2 0 239.363 -0.046 20 0 BBADRP COC[C@]1(CNC[C@]23C[C@H]2C[NH2+]C3)CCC[NH2+]1 ZINC000663496429 488045935 /nfs/dbraw/zinc/04/59/35/488045935.db2.gz GDWCYIXNOVIASD-YNEHKIRRSA-N 2 0 239.363 -0.046 20 0 BBADRP C(NC[C@]12C[C@H]1C[NH2+]C2)[C@H]1C[NH2+]CCCO1 ZINC000663497171 410276466 /nfs/dbraw/zinc/27/64/66/410276466.db2.gz LCORIZUGMKVTPQ-QJPTWQEYSA-N 2 0 225.336 -0.436 20 0 BBADRP C(NC[C@@]12C[C@@H]1C[NH2+]C2)[C@H]1C[NH2+]CCCO1 ZINC000663497173 410275575 /nfs/dbraw/zinc/27/55/75/410275575.db2.gz LCORIZUGMKVTPQ-UTUOFQBUSA-N 2 0 225.336 -0.436 20 0 BBADRP CCO[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663498034 410276281 /nfs/dbraw/zinc/27/62/81/410276281.db2.gz QQZMMTKGWNVZSV-LPWJVIDDSA-N 2 0 239.363 -0.109 20 0 BBADRP CCO[C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663498036 410276254 /nfs/dbraw/zinc/27/62/54/410276254.db2.gz QQZMMTKGWNVZSV-YVECIDJPSA-N 2 0 239.363 -0.109 20 0 BBADRP C(NCC12CC(C1)C[NH2+]2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663499656 411683174 /nfs/dbraw/zinc/68/31/74/411683174.db2.gz FPPJRKYGMCRTDF-LVFLEHKBSA-N 2 0 207.321 -0.063 20 0 BBADRP C(NCC12CC(C1)C[NH2+]2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663499657 488047651 /nfs/dbraw/zinc/04/76/51/488047651.db2.gz FPPJRKYGMCRTDF-UPOSSJBDSA-N 2 0 207.321 -0.063 20 0 BBADRP F[C@@H]1C[NH2+][C@H](CNC[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663499888 488048562 /nfs/dbraw/zinc/04/85/62/488048562.db2.gz WVUHIECZFFNOKL-RCWTZXSCSA-N 2 0 213.300 -0.115 20 0 BBADRP F[C@@H]1C[NH2+][C@H](CNC[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663499890 488048450 /nfs/dbraw/zinc/04/84/50/488048450.db2.gz WVUHIECZFFNOKL-XWLWVQCSSA-N 2 0 213.300 -0.115 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)CCCO1 ZINC000663500189 411682917 /nfs/dbraw/zinc/68/29/17/411682917.db2.gz YVCNGWTZJDSPPA-QJPTWQEYSA-N 2 0 225.336 -0.355 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CCCO1 ZINC000663500191 411683166 /nfs/dbraw/zinc/68/31/66/411683166.db2.gz YVCNGWTZJDSPPA-UTUOFQBUSA-N 2 0 225.336 -0.355 20 0 BBADRP C(NC[C@]12C[C@H]1C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000663500194 411683798 /nfs/dbraw/zinc/68/37/98/411683798.db2.gz YVYOAWWFDPDLHI-GARJFASQSA-N 2 0 211.309 -0.826 20 0 BBADRP C(NC[C@@]12C[C@@H]1C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000663500196 411683536 /nfs/dbraw/zinc/68/35/36/411683536.db2.gz YVYOAWWFDPDLHI-VWYCJHECSA-N 2 0 211.309 -0.826 20 0 BBADRP [NH3+][C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1F ZINC000663506563 411689445 /nfs/dbraw/zinc/68/94/45/411689445.db2.gz VEGCQUYXBVGWPJ-DBIOUOCHSA-N 2 0 213.300 -0.033 20 0 BBADRP [NH3+][C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)CC[C@H]1F ZINC000663506565 411689960 /nfs/dbraw/zinc/68/99/60/411689960.db2.gz VEGCQUYXBVGWPJ-LNFKQOIKSA-N 2 0 213.300 -0.033 20 0 BBADRP [NH3+]CC1(CN2CCOC3(C[NH2+]C3)C2)CC1 ZINC000663509007 411690890 /nfs/dbraw/zinc/69/08/90/411690890.db2.gz INFFHHSUWLTEMB-UHFFFAOYSA-N 2 0 211.309 -0.601 20 0 BBADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOC2(CNC2)C1 ZINC000663512409 411695056 /nfs/dbraw/zinc/69/50/56/411695056.db2.gz LBXJYLMXWBOBJU-UHFFFAOYSA-N 2 0 225.336 -0.340 20 0 BBADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664724697 412014106 /nfs/dbraw/zinc/01/41/06/412014106.db2.gz FPFJNCHTYVTNLX-SECBINFHSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+]C1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCCC1 ZINC000664724782 412014260 /nfs/dbraw/zinc/01/42/60/412014260.db2.gz HHZSUKVPOAXNAI-UHFFFAOYSA-N 2 0 239.319 -0.541 20 0 BBADRP O=C([C@@H]1CCCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000664726424 412014330 /nfs/dbraw/zinc/01/43/30/412014330.db2.gz RHFLJGNFHKXHAA-JTQLQIEISA-N 2 0 239.319 -0.671 20 0 BBADRP O=C([C@H]1CCCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000664726427 412014567 /nfs/dbraw/zinc/01/45/67/412014567.db2.gz RHFLJGNFHKXHAA-SNVBAGLBSA-N 2 0 239.319 -0.671 20 0 BBADRP CC(C)([NH3+])CCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664726551 412014784 /nfs/dbraw/zinc/01/47/84/412014784.db2.gz RVYNYEBCGBYIGA-UHFFFAOYSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]C1(CC(=O)N2CCOC3(C[NH2+]C3)C2)CC1 ZINC000664727923 412013930 /nfs/dbraw/zinc/01/39/30/412013930.db2.gz SSCQORPVWPANCV-UHFFFAOYSA-N 2 0 225.292 -0.931 20 0 BBADRP C[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000664727978 412014006 /nfs/dbraw/zinc/01/40/06/412014006.db2.gz VHGWZRMBVYAYLA-VIFPVBQESA-N 2 0 227.308 -0.863 20 0 BBADRP [NH3+]CC1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000665228758 412166023 /nfs/dbraw/zinc/16/60/23/412166023.db2.gz GQWFPEYXANBRKR-RTBKNWGFSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C1NCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665229222 412166309 /nfs/dbraw/zinc/16/63/09/412166309.db2.gz SJBBYSAOICKUGG-DBIOUOCHSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C1NCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665229223 412167445 /nfs/dbraw/zinc/16/74/45/412167445.db2.gz SJBBYSAOICKUGG-MMWGEVLESA-N 2 0 223.320 -0.147 20 0 BBADRP O=C1NCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665229224 412167871 /nfs/dbraw/zinc/16/78/71/412167871.db2.gz SJBBYSAOICKUGG-YTWAJWBKSA-N 2 0 223.320 -0.147 20 0 BBADRP O=C1NCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665229225 412167162 /nfs/dbraw/zinc/16/71/62/412167162.db2.gz SJBBYSAOICKUGG-ZDCRXTMVSA-N 2 0 223.320 -0.147 20 0 BBADRP CN(CCC[NH2+][C@@H]1CCC[C@H]1[NH3+])S(C)(=O)=O ZINC000665230510 412168624 /nfs/dbraw/zinc/16/86/24/412168624.db2.gz QGKLWPAQQBKUSC-NXEZZACHSA-N 2 0 249.380 -0.263 20 0 BBADRP CN(CCC[NH2+][C@H]1CCC[C@@H]1[NH3+])S(C)(=O)=O ZINC000665230511 412167662 /nfs/dbraw/zinc/16/76/62/412167662.db2.gz QGKLWPAQQBKUSC-UWVGGRQHSA-N 2 0 249.380 -0.263 20 0 BBADRP CN(CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+])S(C)(=O)=O ZINC000665230512 412167512 /nfs/dbraw/zinc/16/75/12/412167512.db2.gz QGKLWPAQQBKUSC-VHSXEESVSA-N 2 0 249.380 -0.263 20 0 BBADRP CN(CCC[NH2+][C@H]1CCC[C@H]1[NH3+])S(C)(=O)=O ZINC000665230513 412167499 /nfs/dbraw/zinc/16/74/99/412167499.db2.gz QGKLWPAQQBKUSC-ZJUUUORDSA-N 2 0 249.380 -0.263 20 0 BBADRP C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C1C[NH2+]C1 ZINC000665230882 412168445 /nfs/dbraw/zinc/16/84/45/412168445.db2.gz XRJATTZJDOECRF-SECBINFHSA-N 2 0 249.380 -0.535 20 0 BBADRP C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C1C[NH2+]C1 ZINC000665230883 412167167 /nfs/dbraw/zinc/16/71/67/412167167.db2.gz XRJATTZJDOECRF-VIFPVBQESA-N 2 0 249.380 -0.535 20 0 BBADRP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000665241397 412185153 /nfs/dbraw/zinc/18/51/53/412185153.db2.gz LLUACGOUEHYMOK-DCAQKATOSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000665241398 412185029 /nfs/dbraw/zinc/18/50/29/412185029.db2.gz LLUACGOUEHYMOK-GARJFASQSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000665241399 412184097 /nfs/dbraw/zinc/18/40/97/412184097.db2.gz LLUACGOUEHYMOK-OUAUKWLOSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000665241400 412184754 /nfs/dbraw/zinc/18/47/54/412184754.db2.gz LLUACGOUEHYMOK-VWYCJHECSA-N 2 0 213.325 -0.295 20 0 BBADRP C1CC1[C@@H](N[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000665241622 412185395 /nfs/dbraw/zinc/18/53/95/412185395.db2.gz UCRMCWVYAZFGRD-QJPTWQEYSA-N 2 0 225.336 -0.295 20 0 BBADRP C1CC1[C@@H](N[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000665241623 412184647 /nfs/dbraw/zinc/18/46/47/412184647.db2.gz UCRMCWVYAZFGRD-SDDRHHMPSA-N 2 0 225.336 -0.295 20 0 BBADRP C1CC1[C@H](N[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000665241624 412185691 /nfs/dbraw/zinc/18/56/91/412185691.db2.gz UCRMCWVYAZFGRD-SRVKXCTJSA-N 2 0 225.336 -0.295 20 0 BBADRP C1CC1[C@H](N[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000665241625 412184832 /nfs/dbraw/zinc/18/48/32/412184832.db2.gz UCRMCWVYAZFGRD-TUAOUCFPSA-N 2 0 225.336 -0.295 20 0 BBADRP COC[C@H](CCC[NH3+])N[C@H]1CC[NH2+]C1 ZINC000665241666 412185077 /nfs/dbraw/zinc/18/50/77/412185077.db2.gz VQCWKVHQWBONRG-UWVGGRQHSA-N 2 0 201.314 -0.308 20 0 BBADRP COC[C@@H](CCC[NH3+])N[C@H]1CC[NH2+]C1 ZINC000665241667 412185336 /nfs/dbraw/zinc/18/53/36/412185336.db2.gz VQCWKVHQWBONRG-VHSXEESVSA-N 2 0 201.314 -0.308 20 0 BBADRP C[C@H]1OCC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291938 412238012 /nfs/dbraw/zinc/23/80/12/412238012.db2.gz OOQWJTHWFYJJIM-APPZFPTMSA-N 2 0 238.291 -0.092 20 0 BBADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291939 412237769 /nfs/dbraw/zinc/23/77/69/412237769.db2.gz OOQWJTHWFYJJIM-CBAPKCEASA-N 2 0 238.291 -0.092 20 0 BBADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291940 412238087 /nfs/dbraw/zinc/23/80/87/412238087.db2.gz OOQWJTHWFYJJIM-IONNQARKSA-N 2 0 238.291 -0.092 20 0 BBADRP C[C@H]1OCC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291941 412237278 /nfs/dbraw/zinc/23/72/78/412237278.db2.gz OOQWJTHWFYJJIM-VXNVDRBHSA-N 2 0 238.291 -0.092 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294383 412238972 /nfs/dbraw/zinc/23/89/72/412238972.db2.gz NPUHKFONTFFULL-HTQZYQBOSA-N 2 0 239.323 -0.144 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294384 412238641 /nfs/dbraw/zinc/23/86/41/412238641.db2.gz NPUHKFONTFFULL-JGVFFNPUSA-N 2 0 239.323 -0.144 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294385 412238814 /nfs/dbraw/zinc/23/88/14/412238814.db2.gz NPUHKFONTFFULL-SFYZADRCSA-N 2 0 239.323 -0.144 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294386 412238801 /nfs/dbraw/zinc/23/88/01/412238801.db2.gz NPUHKFONTFFULL-YUMQZZPRSA-N 2 0 239.323 -0.144 20 0 BBADRP C[NH2+]C[C@H](C)N[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665298177 412245999 /nfs/dbraw/zinc/24/59/99/412245999.db2.gz TUOKWOMCGNYBTE-LNFKQOIKSA-N 2 0 215.341 -0.064 20 0 BBADRP C[NH2+]C[C@H](C)N[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665298178 412246231 /nfs/dbraw/zinc/24/62/31/412246231.db2.gz TUOKWOMCGNYBTE-UKKRHICBSA-N 2 0 215.341 -0.064 20 0 BBADRP C[NH2+]C[C@H](C)N[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665298179 412246972 /nfs/dbraw/zinc/24/69/72/412246972.db2.gz TUOKWOMCGNYBTE-XWLWVQCSSA-N 2 0 215.341 -0.064 20 0 BBADRP C[NH2+]C[C@H](C)N[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665298180 412244069 /nfs/dbraw/zinc/24/40/69/412244069.db2.gz TUOKWOMCGNYBTE-ZRUFSTJUSA-N 2 0 215.341 -0.064 20 0 BBADRP C[NH2+]C[C@H](C)N[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000665298367 487694301 /nfs/dbraw/zinc/69/43/01/487694301.db2.gz VJKIHHVJQXEOKT-DCAQKATOSA-N 2 0 215.341 -0.049 20 0 BBADRP C[NH2+]C[C@H](C)N[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665298368 487694101 /nfs/dbraw/zinc/69/41/01/487694101.db2.gz VJKIHHVJQXEOKT-GARJFASQSA-N 2 0 215.341 -0.049 20 0 BBADRP C[NH2+]C[C@H](C)N[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665298369 487694197 /nfs/dbraw/zinc/69/41/97/487694197.db2.gz VJKIHHVJQXEOKT-OUAUKWLOSA-N 2 0 215.341 -0.049 20 0 BBADRP C[NH2+]C[C@H](C)N[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000665298370 487694047 /nfs/dbraw/zinc/69/40/47/487694047.db2.gz VJKIHHVJQXEOKT-VWYCJHECSA-N 2 0 215.341 -0.049 20 0 BBADRP C[NH2+]C[C@@H](C)N[C@H](CCC[NH3+])COC ZINC000665298396 487693992 /nfs/dbraw/zinc/69/39/92/487693992.db2.gz VOJKHZAEVLSPRQ-NXEZZACHSA-N 2 0 203.330 -0.062 20 0 BBADRP C[NH2+]C[C@H](C)N[C@@H](CCC[NH3+])COC ZINC000665298397 487694251 /nfs/dbraw/zinc/69/42/51/487694251.db2.gz VOJKHZAEVLSPRQ-UWVGGRQHSA-N 2 0 203.330 -0.062 20 0 BBADRP C[NH2+]C[C@H](C)N[C@H](CCC[NH3+])COC ZINC000665298398 487694423 /nfs/dbraw/zinc/69/44/23/487694423.db2.gz VOJKHZAEVLSPRQ-VHSXEESVSA-N 2 0 203.330 -0.062 20 0 BBADRP C[NH2+]C[C@@H](C)N[C@@H](CCC[NH3+])COC ZINC000665298399 487694182 /nfs/dbraw/zinc/69/41/82/487694182.db2.gz VOJKHZAEVLSPRQ-ZJUUUORDSA-N 2 0 203.330 -0.062 20 0 BBADRP C[NH2+]C[C@H](C)N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665299478 412248243 /nfs/dbraw/zinc/24/82/43/412248243.db2.gz NYODCVIZVUPKSY-DLOVCJGASA-N 2 0 227.352 -0.049 20 0 BBADRP C[NH2+]C[C@H](C)N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665299479 412247041 /nfs/dbraw/zinc/24/70/41/412247041.db2.gz NYODCVIZVUPKSY-MVWJERBFSA-N 2 0 227.352 -0.049 20 0 BBADRP C[NH2+]C[C@H](C)N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665299480 412246518 /nfs/dbraw/zinc/24/65/18/412246518.db2.gz NYODCVIZVUPKSY-WCQGTBRESA-N 2 0 227.352 -0.049 20 0 BBADRP C[NH2+]C[C@H](C)N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665299481 412245984 /nfs/dbraw/zinc/24/59/84/412245984.db2.gz NYODCVIZVUPKSY-ZMLRMANQSA-N 2 0 227.352 -0.049 20 0 BBADRP C[NH+](C)C1(C(=O)N2CCN(CCO)CC2)CC1 ZINC000666190573 487753492 /nfs/dbraw/zinc/75/34/92/487753492.db2.gz QZJHKHWWKYPNQG-UHFFFAOYSA-N 2 0 241.335 -0.783 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000667994888 488179500 /nfs/dbraw/zinc/17/95/00/488179500.db2.gz RUUFPRNKYSTQDH-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP CC[NH+](CC)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000668497499 487854621 /nfs/dbraw/zinc/85/46/21/487854621.db2.gz SZXDPDRYFLUZFJ-SECBINFHSA-N 2 0 216.329 -0.025 20 0 BBADRP CC[NH+](CC)CCNC(=O)NC[C@H](C)[NH3+] ZINC000668497505 487855057 /nfs/dbraw/zinc/85/50/57/487855057.db2.gz SZXDPDRYFLUZFJ-VIFPVBQESA-N 2 0 216.329 -0.025 20 0 BBADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CC[NH2+]CC1 ZINC000669383285 711790026 /nfs/dbraw/zinc/79/00/26/711790026.db2.gz RDOAYNGOBKKDMX-NEPJUHHUSA-N 2 0 225.336 -0.340 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000669403169 487705241 /nfs/dbraw/zinc/70/52/41/487705241.db2.gz NAOSVMAGRFJADX-UKKRHICBSA-N 2 0 238.335 -0.402 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000669403170 487705551 /nfs/dbraw/zinc/70/55/51/487705551.db2.gz NAOSVMAGRFJADX-ZNSHCXBVSA-N 2 0 238.335 -0.402 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403171 487705493 /nfs/dbraw/zinc/70/54/93/487705493.db2.gz NAOZQXGHUAWLMB-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403172 487706051 /nfs/dbraw/zinc/70/60/51/487706051.db2.gz NAOZQXGHUAWLMB-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403319 487707455 /nfs/dbraw/zinc/70/74/55/487707455.db2.gz USERXWHXXGMRJH-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403320 487707470 /nfs/dbraw/zinc/70/74/70/487707470.db2.gz USERXWHXXGMRJH-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403321 487707429 /nfs/dbraw/zinc/70/74/29/487707429.db2.gz USERXWHXXGMRJH-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403322 487707113 /nfs/dbraw/zinc/70/71/13/487707113.db2.gz USERXWHXXGMRJH-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403399 487707381 /nfs/dbraw/zinc/70/73/81/487707381.db2.gz YTOJAAPMACZBBA-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH2+]CCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403400 487707461 /nfs/dbraw/zinc/70/74/61/487707461.db2.gz YTOJAAPMACZBBA-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NCCN1CCSCC1 ZINC000669478076 487968842 /nfs/dbraw/zinc/96/88/42/487968842.db2.gz NRPXCGYWPWGQKW-SECBINFHSA-N 2 0 246.380 -0.318 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NCCN1CCSCC1 ZINC000669478077 487968935 /nfs/dbraw/zinc/96/89/35/487968935.db2.gz NRPXCGYWPWGQKW-VIFPVBQESA-N 2 0 246.380 -0.318 20 0 BBADRP C[C@@H](NC(=O)NC1C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000669490710 488053150 /nfs/dbraw/zinc/05/31/50/488053150.db2.gz WFVSCZKRHBXPOM-SECBINFHSA-N 2 0 240.351 -0.012 20 0 BBADRP C[C@H](NC(=O)NC1C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000669490711 488053036 /nfs/dbraw/zinc/05/30/36/488053036.db2.gz WFVSCZKRHBXPOM-VIFPVBQESA-N 2 0 240.351 -0.012 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491160 488052419 /nfs/dbraw/zinc/05/24/19/488052419.db2.gz NQIXWWGIVRKGGA-LLVKDONJSA-N 2 0 240.351 -0.011 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491161 488052250 /nfs/dbraw/zinc/05/22/50/488052250.db2.gz NQIXWWGIVRKGGA-NSHDSACASA-N 2 0 240.351 -0.011 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669498421 488074565 /nfs/dbraw/zinc/07/45/65/488074565.db2.gz UOIAOONQZVCJRL-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669498422 488074555 /nfs/dbraw/zinc/07/45/55/488074555.db2.gz UOIAOONQZVCJRL-SNVBAGLBSA-N 2 0 246.355 -0.399 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000669511033 488115206 /nfs/dbraw/zinc/11/52/06/488115206.db2.gz KDLDWWGFFHYHNZ-LLVKDONJSA-N 2 0 243.351 -0.015 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000669511034 488115230 /nfs/dbraw/zinc/11/52/30/488115230.db2.gz KDLDWWGFFHYHNZ-NSHDSACASA-N 2 0 243.351 -0.015 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000669512349 488117845 /nfs/dbraw/zinc/11/78/45/488117845.db2.gz HAUSQIPERQKVLV-SECBINFHSA-N 2 0 227.308 -0.815 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000669512350 488118173 /nfs/dbraw/zinc/11/81/73/488118173.db2.gz HAUSQIPERQKVLV-VIFPVBQESA-N 2 0 227.308 -0.815 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+]CC1(C)C ZINC000669512355 488118033 /nfs/dbraw/zinc/11/80/33/488118033.db2.gz HVTMNOCXMXGCFM-UHFFFAOYSA-N 2 0 229.324 -0.567 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC000669513584 488121362 /nfs/dbraw/zinc/12/13/62/488121362.db2.gz NEYOSGUZJWDHBR-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC000669513585 488121355 /nfs/dbraw/zinc/12/13/55/488121355.db2.gz NEYOSGUZJWDHBR-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000669514877 488123814 /nfs/dbraw/zinc/12/38/14/488123814.db2.gz OMGVBKHNQGQYRV-GHMZBOCLSA-N 2 0 241.335 -0.569 20 0 BBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000669514878 488124361 /nfs/dbraw/zinc/12/43/61/488124361.db2.gz OMGVBKHNQGQYRV-MNOVXSKESA-N 2 0 241.335 -0.569 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514893 488123752 /nfs/dbraw/zinc/12/37/52/488123752.db2.gz PPUVKMJIHHEAHS-LLVKDONJSA-N 2 0 243.351 -0.321 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514925 488124120 /nfs/dbraw/zinc/12/41/20/488124120.db2.gz SPAYJTHFYCEBOW-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514926 488123912 /nfs/dbraw/zinc/12/39/12/488123912.db2.gz SPAYJTHFYCEBOW-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NCC[NH2+]C1CC1 ZINC000669586479 490111800 /nfs/dbraw/zinc/11/18/00/490111800.db2.gz RFRPCAUESXYFAJ-VIFPVBQESA-N 2 0 228.340 -0.012 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000673519784 488292918 /nfs/dbraw/zinc/29/29/18/488292918.db2.gz BGYRNBMMVOVTCI-JTQLQIEISA-N 2 0 231.340 -0.635 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673519787 488292906 /nfs/dbraw/zinc/29/29/06/488292906.db2.gz BGYRNBMMVOVTCI-SNVBAGLBSA-N 2 0 231.340 -0.635 20 0 BBADRP CC[N@H+](CC(=O)N[C@H](CO)C[NH+](C)C)C1CC1 ZINC000673521885 488292957 /nfs/dbraw/zinc/29/29/57/488292957.db2.gz RFPFYMCGTVLKIR-JTQLQIEISA-N 2 0 243.351 -0.491 20 0 BBADRP CC[N@H+](CC(=O)N[C@@H](CO)C[NH+](C)C)C1CC1 ZINC000673521896 488292982 /nfs/dbraw/zinc/29/29/82/488292982.db2.gz RFPFYMCGTVLKIR-SNVBAGLBSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[NH+](CC)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000673523305 488293660 /nfs/dbraw/zinc/29/36/60/488293660.db2.gz RZNUOXUYJUGKQR-JTQLQIEISA-N 2 0 231.340 -0.633 20 0 BBADRP CC[NH+](CC)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673523307 488293700 /nfs/dbraw/zinc/29/37/00/488293700.db2.gz RZNUOXUYJUGKQR-SNVBAGLBSA-N 2 0 231.340 -0.633 20 0 BBADRP COCC[N@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000674246248 487535827 /nfs/dbraw/zinc/53/58/27/487535827.db2.gz HLGPXCVOUFABCB-JTQLQIEISA-N 2 0 231.340 -0.369 20 0 BBADRP COCCN(CC[NH+](C)C)C(=O)[C@H](C)[NH+](C)C ZINC000674263278 487540760 /nfs/dbraw/zinc/54/07/60/487540760.db2.gz DGJCDRAQOMYFCK-NSHDSACASA-N 2 0 245.367 -0.027 20 0 BBADRP C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000674285494 487545041 /nfs/dbraw/zinc/54/50/41/487545041.db2.gz CWKLMZULECBZDL-NSHDSACASA-N 2 0 242.367 -0.700 20 0 BBADRP C[C@@H](C(=O)NCc1nccn1C)[NH+](C)C ZINC000674287505 487536655 /nfs/dbraw/zinc/53/66/55/487536655.db2.gz QXSIMJQUWOHJHJ-QMMMGPOBSA-N 2 0 210.281 -0.014 20 0 BBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000674287619 487543981 /nfs/dbraw/zinc/54/39/81/487543981.db2.gz KJIIAPCTTUSYRE-QWRGUYRKSA-N 2 0 243.351 -0.227 20 0 BBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000674287620 487544566 /nfs/dbraw/zinc/54/45/66/487544566.db2.gz KJIIAPCTTUSYRE-WDEREUQCSA-N 2 0 243.351 -0.227 20 0 BBADRP C[C@H](O)CN1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674288069 487536538 /nfs/dbraw/zinc/53/65/38/487536538.db2.gz VDSYVJGICDCZKW-QWRGUYRKSA-N 2 0 243.351 -0.539 20 0 BBADRP COCCN1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674289553 487550630 /nfs/dbraw/zinc/55/06/30/487550630.db2.gz KSZLYSSOQCEMKR-NSHDSACASA-N 2 0 243.351 -0.273 20 0 BBADRP C[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+](C)C ZINC000674289876 487551518 /nfs/dbraw/zinc/55/15/18/487551518.db2.gz ZYLWIORYTGOFFI-JTQLQIEISA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@@H](CC[N@@H+]1CC[C@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000676251700 487829352 /nfs/dbraw/zinc/82/93/52/487829352.db2.gz CVXVPHAEPDCTJL-SRVKXCTJSA-N 2 0 228.336 -0.102 20 0 BBADRP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000676997888 487952832 /nfs/dbraw/zinc/95/28/32/487952832.db2.gz JSDJCUVDFJMVIK-GXSJLCMTSA-N 2 0 231.340 -0.635 20 0 BBADRP C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C ZINC000676997894 487952791 /nfs/dbraw/zinc/95/27/91/487952791.db2.gz JSDJCUVDFJMVIK-ONGXEEELSA-N 2 0 231.340 -0.635 20 0 BBADRP C[C@@H]1C[C@H]([NH2+]CCc2nnnn2C)CC[N@@H+]1C ZINC000678548175 488265918 /nfs/dbraw/zinc/26/59/18/488265918.db2.gz KDEPNYWNELYEIE-NXEZZACHSA-N 2 0 238.339 -0.175 20 0 BBADRP C[C@H]1C[C@@H]([NH2+]CCc2nnnn2C)CC[N@@H+]1C ZINC000678548176 488265902 /nfs/dbraw/zinc/26/59/02/488265902.db2.gz KDEPNYWNELYEIE-UWVGGRQHSA-N 2 0 238.339 -0.175 20 0 BBADRP C[C@H]1C[C@H]([NH2+]CCc2nnnn2C)CC[N@@H+]1C ZINC000678548177 488266254 /nfs/dbraw/zinc/26/62/54/488266254.db2.gz KDEPNYWNELYEIE-VHSXEESVSA-N 2 0 238.339 -0.175 20 0 BBADRP C[C@@H]1C[C@@H]([NH2+]CCc2nnnn2C)CC[N@@H+]1C ZINC000678548178 488266328 /nfs/dbraw/zinc/26/63/28/488266328.db2.gz KDEPNYWNELYEIE-ZJUUUORDSA-N 2 0 238.339 -0.175 20 0 BBADRP C[C@H](CN1CCOCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678715112 488277921 /nfs/dbraw/zinc/27/79/21/488277921.db2.gz BQCYTWCDIPVVGC-AGIUHOORSA-N 2 0 239.363 -0.142 20 0 BBADRP C[C@H](CN1CCOCC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678715113 488277550 /nfs/dbraw/zinc/27/75/50/488277550.db2.gz BQCYTWCDIPVVGC-JHJVBQTASA-N 2 0 239.363 -0.142 20 0 BBADRP CC[NH+]1CCC([NH2+]CCc2nnnn2C)CC1 ZINC000678770248 488281184 /nfs/dbraw/zinc/28/11/84/488281184.db2.gz KPGLUFPFAMHGFN-UHFFFAOYSA-N 2 0 238.339 -0.174 20 0 BBADRP O[C@@H]1C[C@H](O)C[N@@H+](CCCn2ccnc2)C1 ZINC000678884364 488293117 /nfs/dbraw/zinc/29/31/17/488293117.db2.gz GWMYMTDDGFTBGD-PHIMTYICSA-N 2 0 225.292 -0.299 20 0 BBADRP C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+](C)C ZINC000683879968 488235258 /nfs/dbraw/zinc/23/52/58/488235258.db2.gz AMWQGKOITQHBRY-GARJFASQSA-N 2 0 225.336 -0.044 20 0 BBADRP C[C@H](CCNS(=O)(=O)C1C[NH2+]C1)[NH+](C)C ZINC000700565203 711995757 /nfs/dbraw/zinc/99/57/57/711995757.db2.gz ZDZCEURKSXOAMI-MRVPVSSYSA-N 2 0 235.353 -0.782 20 0 BBADRP C[C@@H](CCNS(=O)(=O)C1C[NH2+]C1)[NH+](C)C ZINC000700565205 711995934 /nfs/dbraw/zinc/99/59/34/711995934.db2.gz ZDZCEURKSXOAMI-QMMMGPOBSA-N 2 0 235.353 -0.782 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(CCn1cncn1)C2 ZINC000702050460 712037165 /nfs/dbraw/zinc/03/71/65/712037165.db2.gz YZZAIWAAGWDYND-WDEREUQCSA-N 2 0 221.308 -0.181 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000702056849 712037308 /nfs/dbraw/zinc/03/73/08/712037308.db2.gz WEHNTFUZLQKHFX-ATZCPNFKSA-N 2 0 209.293 -0.584 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000702056854 712037343 /nfs/dbraw/zinc/03/73/43/712037343.db2.gz WEHNTFUZLQKHFX-IQJOONFLSA-N 2 0 209.293 -0.584 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702098016 712038858 /nfs/dbraw/zinc/03/88/58/712038858.db2.gz YIGDKNQJHSNIIQ-GXSJLCMTSA-N 2 0 211.309 -0.384 20 0 BBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702287107 712045317 /nfs/dbraw/zinc/04/53/17/712045317.db2.gz FXYJRFGNCFSDOG-QJPTWQEYSA-N 2 0 228.336 -0.123 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000702324806 712047215 /nfs/dbraw/zinc/04/72/15/712047215.db2.gz UXZWFEUZYWKZGQ-KOLCDFICSA-N 2 0 240.351 -0.772 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000702324813 712047138 /nfs/dbraw/zinc/04/71/38/712047138.db2.gz UXZWFEUZYWKZGQ-ONGXEEELSA-N 2 0 240.351 -0.772 20 0 BBADRP C[N@@H+]1C[C@@H]2CN(CCOCC[NH3+])C[C@]2(C)C1 ZINC000702334037 712047837 /nfs/dbraw/zinc/04/78/37/712047837.db2.gz PJDLNLPOCQEXIS-NEPJUHHUSA-N 2 0 227.352 -0.155 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000702338128 712048160 /nfs/dbraw/zinc/04/81/60/712048160.db2.gz NKGDJIVUPBQQFU-UWVGGRQHSA-N 2 0 228.340 -0.914 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000702338137 712047923 /nfs/dbraw/zinc/04/79/23/712047923.db2.gz NKGDJIVUPBQQFU-ZJUUUORDSA-N 2 0 228.340 -0.914 20 0 BBADRP C[N@@H+]1C[C@@H]2CN(C[C@@H]3C[NH2+]CCO3)C[C@]2(C)C1 ZINC000702338339 712048014 /nfs/dbraw/zinc/04/80/14/712048014.db2.gz VGDNDAAQBDFNCH-AGIUHOORSA-N 2 0 239.363 -0.142 20 0 BBADRP C[N@@H+]1C[C@@H]2CN(C[C@H]3C[NH2+]CCO3)C[C@]2(C)C1 ZINC000702338347 712047609 /nfs/dbraw/zinc/04/76/09/712047609.db2.gz VGDNDAAQBDFNCH-UPJWGTAASA-N 2 0 239.363 -0.142 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[N@H+](C)CC1 ZINC000702339412 712047900 /nfs/dbraw/zinc/04/79/00/712047900.db2.gz QBUHJACLIPQLBJ-JTQLQIEISA-N 2 0 228.340 -0.961 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCC[N@H+](C)C1CC1 ZINC000702339496 712047622 /nfs/dbraw/zinc/04/76/22/712047622.db2.gz QYPTZFRLMLRPPW-JTQLQIEISA-N 2 0 228.340 -0.914 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000702340546 712048094 /nfs/dbraw/zinc/04/80/94/712048094.db2.gz WPYGNBIUHWTQAB-UWVGGRQHSA-N 2 0 228.340 -0.914 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000702340549 712047518 /nfs/dbraw/zinc/04/75/18/712047518.db2.gz WPYGNBIUHWTQAB-ZJUUUORDSA-N 2 0 228.340 -0.914 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCC[NH+]1CCCC1 ZINC000702340609 712047666 /nfs/dbraw/zinc/04/76/66/712047666.db2.gz XKGBTEBWWHWIGW-JTQLQIEISA-N 2 0 228.340 -0.913 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000702341587 712046065 /nfs/dbraw/zinc/04/60/65/712046065.db2.gz GCZKDSCAWAWAJK-NSHDSACASA-N 2 0 242.367 -0.667 20 0 BBADRP CC(C)[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702341947 712045744 /nfs/dbraw/zinc/04/57/44/712045744.db2.gz IXENGTHNOCSBPZ-NSHDSACASA-N 2 0 242.367 -0.572 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000702342348 712045937 /nfs/dbraw/zinc/04/59/37/712045937.db2.gz LHGCYJOYYDPJLP-MNOVXSKESA-N 2 0 242.367 -0.667 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000702342350 712045584 /nfs/dbraw/zinc/04/55/84/712045584.db2.gz LHGCYJOYYDPJLP-QWRGUYRKSA-N 2 0 242.367 -0.667 20 0 BBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000702342892 712045991 /nfs/dbraw/zinc/04/59/91/712045991.db2.gz QFZUOHVUSYSXBA-NSHDSACASA-N 2 0 242.367 -0.572 20 0 BBADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702342901 712046054 /nfs/dbraw/zinc/04/60/54/712046054.db2.gz QIMGQMPSOWOLDN-MNOVXSKESA-N 2 0 242.367 -0.667 20 0 BBADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702342903 712045987 /nfs/dbraw/zinc/04/59/87/712045987.db2.gz QIMGQMPSOWOLDN-QWRGUYRKSA-N 2 0 242.367 -0.667 20 0 BBADRP CC[NH+]1CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702342917 712046032 /nfs/dbraw/zinc/04/60/32/712046032.db2.gz QSUSEWJEPLHUKT-NSHDSACASA-N 2 0 242.367 -0.524 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCC[NH+]1CCCCC1 ZINC000702343001 712045685 /nfs/dbraw/zinc/04/56/85/712045685.db2.gz SOJYOONGPFCTBF-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000702343101 712045792 /nfs/dbraw/zinc/04/57/92/712045792.db2.gz UJYWDVPUHGDCIX-JTQLQIEISA-N 2 0 244.383 -0.421 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000702343251 712045524 /nfs/dbraw/zinc/04/55/24/712045524.db2.gz VWJCRRUVFGZZLC-MNOVXSKESA-N 2 0 242.367 -0.572 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000702343253 711869346 /nfs/dbraw/zinc/86/93/46/711869346.db2.gz VWJCRRUVFGZZLC-QWRGUYRKSA-N 2 0 242.367 -0.572 20 0 BBADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702343636 712045637 /nfs/dbraw/zinc/04/56/37/712045637.db2.gz ZOUQWOCGTUTOML-NSHDSACASA-N 2 0 244.383 -0.325 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000702349439 712046580 /nfs/dbraw/zinc/04/65/80/712046580.db2.gz GFGBKLKEJUBPFH-MNOVXSKESA-N 2 0 242.367 -0.572 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000702349442 712046544 /nfs/dbraw/zinc/04/65/44/712046544.db2.gz GFGBKLKEJUBPFH-QWRGUYRKSA-N 2 0 242.367 -0.572 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1C ZINC000702351018 712046306 /nfs/dbraw/zinc/04/63/06/712046306.db2.gz TZEVTVXZGFEHGX-MXWKQRLJSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1C ZINC000702351022 712046269 /nfs/dbraw/zinc/04/62/69/712046269.db2.gz TZEVTVXZGFEHGX-VWYCJHECSA-N 2 0 242.367 -0.526 20 0 BBADRP CC[NH+](CC)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702386048 712049108 /nfs/dbraw/zinc/04/91/08/712049108.db2.gz GUJUOAXVMLWVQP-JTQLQIEISA-N 2 0 230.356 -0.667 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000702387151 712049855 /nfs/dbraw/zinc/04/98/55/712049855.db2.gz LKSYJLCIULTYCI-VIFPVBQESA-N 2 0 230.356 -0.668 20 0 BBADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702387286 712050432 /nfs/dbraw/zinc/05/04/32/712050432.db2.gz MLXIVVVJCWBFOJ-UWVGGRQHSA-N 2 0 230.356 -0.668 20 0 BBADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702387290 712050382 /nfs/dbraw/zinc/05/03/82/712050382.db2.gz MLXIVVVJCWBFOJ-ZJUUUORDSA-N 2 0 230.356 -0.668 20 0 BBADRP C[NH+](C)CCCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702388200 712049876 /nfs/dbraw/zinc/04/98/76/712049876.db2.gz QWAVKASYGFFFBH-JTQLQIEISA-N 2 0 230.356 -0.667 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702388204 712049941 /nfs/dbraw/zinc/04/99/41/712049941.db2.gz QXQUEIBNTFBYBU-JTQLQIEISA-N 2 0 230.356 -0.668 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702392680 712050165 /nfs/dbraw/zinc/05/01/65/712050165.db2.gz WHHBLUROXGRNRJ-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702392681 712049865 /nfs/dbraw/zinc/04/98/65/712049865.db2.gz WHHBLUROXGRNRJ-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP C[C@@H](CCNC(=O)[C@@H](N)C[NH+](C)C)[NH+](C)C ZINC000702399533 712049487 /nfs/dbraw/zinc/04/94/87/712049487.db2.gz AIYOTXAXELKJMR-UWVGGRQHSA-N 2 0 230.356 -0.668 20 0 BBADRP C[C@H](CCNC(=O)[C@@H](N)C[NH+](C)C)[NH+](C)C ZINC000702399535 712049198 /nfs/dbraw/zinc/04/91/98/712049198.db2.gz AIYOTXAXELKJMR-ZJUUUORDSA-N 2 0 230.356 -0.668 20 0 BBADRP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)[N@H+](C)C1CC1 ZINC000702416851 712051339 /nfs/dbraw/zinc/05/13/39/712051339.db2.gz JPMWZYVNJLXFSM-KOLCDFICSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)[N@H+](C)C1CC1 ZINC000702416853 712051328 /nfs/dbraw/zinc/05/13/28/712051328.db2.gz JPMWZYVNJLXFSM-ONGXEEELSA-N 2 0 242.367 -0.526 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1CC1 ZINC000702416900 712051826 /nfs/dbraw/zinc/05/18/26/712051826.db2.gz KSVJSOFBPKBPOG-NSHDSACASA-N 2 0 242.367 -0.524 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702417266 712051320 /nfs/dbraw/zinc/05/13/20/712051320.db2.gz NTVAXJWUTQBZGT-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000702417267 712051924 /nfs/dbraw/zinc/05/19/24/712051924.db2.gz NTVAXJWUTQBZGT-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP CC[NH+](CC)CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702428080 712052531 /nfs/dbraw/zinc/05/25/31/712052531.db2.gz HGZAOXHAKISBOL-NSHDSACASA-N 2 0 244.383 -0.277 20 0 BBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702429471 712052227 /nfs/dbraw/zinc/05/22/27/712052227.db2.gz KBDHJTDNWIITRJ-MNOVXSKESA-N 2 0 244.383 -0.278 20 0 BBADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702429472 712052481 /nfs/dbraw/zinc/05/24/81/712052481.db2.gz KBDHJTDNWIITRJ-QWRGUYRKSA-N 2 0 244.383 -0.278 20 0 BBADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702432737 712053331 /nfs/dbraw/zinc/05/33/31/712053331.db2.gz XGQLVUGFVBNVIU-NSHDSACASA-N 2 0 244.383 -0.325 20 0 BBADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702433056 712053201 /nfs/dbraw/zinc/05/32/01/712053201.db2.gz YZQNUXODJWBSOO-MNOVXSKESA-N 2 0 244.383 -0.278 20 0 BBADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000702433057 712052853 /nfs/dbraw/zinc/05/28/53/712052853.db2.gz YZQNUXODJWBSOO-QWRGUYRKSA-N 2 0 244.383 -0.278 20 0 BBADRP CN1CC[C@@](O)(C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000702562255 712055174 /nfs/dbraw/zinc/05/51/74/712055174.db2.gz LTNUBTVIYUWZSI-CYBMUJFWSA-N 2 0 241.379 -0.016 20 0 BBADRP CN1CC[C@](O)(C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000702562256 712055794 /nfs/dbraw/zinc/05/57/94/712055794.db2.gz LTNUBTVIYUWZSI-ZDUSSCGKSA-N 2 0 241.379 -0.016 20 0 BBADRP CCCNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000702589162 712055779 /nfs/dbraw/zinc/05/57/79/712055779.db2.gz ABWYDUANVAXONH-JTQLQIEISA-N 2 0 214.313 -0.423 20 0 BBADRP CCCNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000702589163 712055903 /nfs/dbraw/zinc/05/59/03/712055903.db2.gz ABWYDUANVAXONH-SNVBAGLBSA-N 2 0 214.313 -0.423 20 0 BBADRP CCNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000702589164 712055584 /nfs/dbraw/zinc/05/55/84/712055584.db2.gz ACBWBIWOWHZPMX-SECBINFHSA-N 2 0 200.286 -0.813 20 0 BBADRP CCNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000702589165 712055819 /nfs/dbraw/zinc/05/58/19/712055819.db2.gz ACBWBIWOWHZPMX-VIFPVBQESA-N 2 0 200.286 -0.813 20 0 BBADRP CN1CCC[NH+]=C1NC[C@]1(O)CC[N@H+](C)C1 ZINC000702589950 712055671 /nfs/dbraw/zinc/05/56/71/712055671.db2.gz GAKBIHJWPAPTES-LLVKDONJSA-N 2 0 226.324 -0.666 20 0 BBADRP CN1CCC[NH+]=C1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000702589951 712055737 /nfs/dbraw/zinc/05/57/37/712055737.db2.gz GAKBIHJWPAPTES-NSHDSACASA-N 2 0 226.324 -0.666 20 0 BBADRP CC(C)CNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000702592709 712056396 /nfs/dbraw/zinc/05/63/96/712056396.db2.gz ZCSDZNBPNFYFQJ-LLVKDONJSA-N 2 0 228.340 -0.177 20 0 BBADRP CC(C)CNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000702592711 712056516 /nfs/dbraw/zinc/05/65/16/712056516.db2.gz ZCSDZNBPNFYFQJ-NSHDSACASA-N 2 0 228.340 -0.177 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702607750 712056569 /nfs/dbraw/zinc/05/65/69/712056569.db2.gz GPBRXKILWXXMSV-SDDRHHMPSA-N 2 0 228.336 -0.075 20 0 BBADRP COC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702607751 712056169 /nfs/dbraw/zinc/05/61/69/712056169.db2.gz GPBRXKILWXXMSV-UTUOFQBUSA-N 2 0 228.336 -0.075 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@]1(O)CC[N@H+](C)C1 ZINC000702616050 712057031 /nfs/dbraw/zinc/05/70/31/712057031.db2.gz URPJFQSTSFDXOC-QJPTWQEYSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@]1(O)CC[N@H+](C)C1 ZINC000702616051 712057041 /nfs/dbraw/zinc/05/70/41/712057041.db2.gz URPJFQSTSFDXOC-SDDRHHMPSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000702616052 712057033 /nfs/dbraw/zinc/05/70/33/712057033.db2.gz URPJFQSTSFDXOC-SRVKXCTJSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000702616054 712057090 /nfs/dbraw/zinc/05/70/90/712057090.db2.gz URPJFQSTSFDXOC-TUAOUCFPSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@H](O)C[NH+]1CCCC1 ZINC000702634477 712057872 /nfs/dbraw/zinc/05/78/72/712057872.db2.gz LNSOPGBYZMUVNB-GRYCIOLGSA-N 2 0 227.352 -0.135 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@H](O)C[NH+]1CCCC1 ZINC000702634479 712057913 /nfs/dbraw/zinc/05/79/13/712057913.db2.gz LNSOPGBYZMUVNB-IJLUTSLNSA-N 2 0 227.352 -0.135 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000702634481 712057938 /nfs/dbraw/zinc/05/79/38/712057938.db2.gz LNSOPGBYZMUVNB-UTUOFQBUSA-N 2 0 227.352 -0.135 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000702634482 712058039 /nfs/dbraw/zinc/05/80/39/712058039.db2.gz LNSOPGBYZMUVNB-WOPDTQHZSA-N 2 0 227.352 -0.135 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000702679910 712059308 /nfs/dbraw/zinc/05/93/08/712059308.db2.gz ZSUDTSUFXVMCFG-SRVKXCTJSA-N 2 0 245.367 -0.653 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]([NH3+])C[C@@H]1C ZINC000702679911 712059460 /nfs/dbraw/zinc/05/94/60/712059460.db2.gz ZSUDTSUFXVMCFG-TUAOUCFPSA-N 2 0 245.367 -0.653 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]([NH3+])C[C@H]1C ZINC000702679912 712059422 /nfs/dbraw/zinc/05/94/22/712059422.db2.gz ZSUDTSUFXVMCFG-UTUOFQBUSA-N 2 0 245.367 -0.653 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]([NH3+])C[C@H]1C ZINC000702679913 712059122 /nfs/dbraw/zinc/05/91/22/712059122.db2.gz ZSUDTSUFXVMCFG-WOPDTQHZSA-N 2 0 245.367 -0.653 20 0 BBADRP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702992297 712063409 /nfs/dbraw/zinc/06/34/09/712063409.db2.gz HTRVCQUTVCVTTH-AEJSXWLSSA-N 2 0 247.364 -0.653 20 0 BBADRP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000702992303 712063564 /nfs/dbraw/zinc/06/35/64/712063564.db2.gz HTRVCQUTVCVTTH-KXUCPTDWSA-N 2 0 247.364 -0.653 20 0 BBADRP COC1CC(C[N@H+](C)C[C@H](O)C[NH3+])C1 ZINC000703390381 712075027 /nfs/dbraw/zinc/07/50/27/712075027.db2.gz OZLRCJAMXWDDHE-HWOCKDDLSA-N 2 0 202.298 -0.337 20 0 BBADRP COC1CC(C[N@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000703390383 712075462 /nfs/dbraw/zinc/07/54/62/712075462.db2.gz OZLRCJAMXWDDHE-KYHHOPLUSA-N 2 0 202.298 -0.337 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCC[NH2+]CC2)C1 ZINC000703486224 712076893 /nfs/dbraw/zinc/07/68/93/712076893.db2.gz BZDDJRVSIJQKAU-UHFFFAOYSA-N 2 0 211.309 -0.194 20 0 BBADRP CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703539031 712078032 /nfs/dbraw/zinc/07/80/32/712078032.db2.gz URRCIIRZCYLMHY-QJPTWQEYSA-N 2 0 228.336 -0.075 20 0 BBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703550917 712078425 /nfs/dbraw/zinc/07/84/25/712078425.db2.gz YVSCQDKDWGSVTL-HBNTYKKESA-N 2 0 214.309 -0.465 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)NC(N)=O)C2 ZINC000703558916 712079202 /nfs/dbraw/zinc/07/92/02/712079202.db2.gz XDUKZIDKNXVJJK-GZMMTYOYSA-N 2 0 240.307 -0.887 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703568910 712080761 /nfs/dbraw/zinc/08/07/61/712080761.db2.gz KQOSMZUYIJFODD-RTBKNWGFSA-N 2 0 211.309 -0.066 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703568911 712080653 /nfs/dbraw/zinc/08/06/53/712080653.db2.gz KQOSMZUYIJFODD-UDNWOFFPSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN([C@H]1CCOC1=O)C2 ZINC000703583111 712079641 /nfs/dbraw/zinc/07/96/41/712079641.db2.gz IXKOYEHELGKBOJ-ATZCPNFKSA-N 2 0 210.277 -0.157 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN([C@@H]1CCOC1=O)C2 ZINC000703583122 712079895 /nfs/dbraw/zinc/07/98/95/712079895.db2.gz IXKOYEHELGKBOJ-IQJOONFLSA-N 2 0 210.277 -0.157 20 0 BBADRP C[NH+]1CCN(CCNC(=O)C2CC([NH3+])C2)CC1 ZINC000703587703 712080035 /nfs/dbraw/zinc/08/00/35/712080035.db2.gz DKTXYBOTKCSLTI-UHFFFAOYSA-N 2 0 240.351 -0.913 20 0 BBADRP COCCOC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000704589494 712111284 /nfs/dbraw/zinc/11/12/84/712111284.db2.gz JGQHMHPHQAJONM-LLVKDONJSA-N 2 0 246.351 -0.177 20 0 BBADRP COCCOC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000704589495 712111424 /nfs/dbraw/zinc/11/14/24/712111424.db2.gz JGQHMHPHQAJONM-NSHDSACASA-N 2 0 246.351 -0.177 20 0 BBADRP C[NH+]1CCC(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC000705335352 712129357 /nfs/dbraw/zinc/12/93/57/712129357.db2.gz XXBRKYONAXMQCY-BETUJISGSA-N 2 0 242.363 -0.139 20 0 BBADRP CCC[N@H+](CC)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000705367103 712130873 /nfs/dbraw/zinc/13/08/73/712130873.db2.gz GNCMXHNINOJEPU-NSHDSACASA-N 2 0 244.383 -0.277 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CNC2=[NH+]CCCCN2)C1 ZINC000705726504 712135261 /nfs/dbraw/zinc/13/52/61/712135261.db2.gz DBDMQCBQXPAFRZ-LLVKDONJSA-N 2 0 226.324 -0.618 20 0 BBADRP C[N@@H+]1CC[C@](O)(CNC2=[NH+]CCCCN2)C1 ZINC000705726505 712136079 /nfs/dbraw/zinc/13/60/79/712136079.db2.gz DBDMQCBQXPAFRZ-NSHDSACASA-N 2 0 226.324 -0.618 20 0 BBADRP CC(C)NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000705726529 712136054 /nfs/dbraw/zinc/13/60/54/712136054.db2.gz DHDRIWHOHUPIOC-JTQLQIEISA-N 2 0 214.313 -0.425 20 0 BBADRP CC(C)NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000705726530 712135817 /nfs/dbraw/zinc/13/58/17/712135817.db2.gz DHDRIWHOHUPIOC-SNVBAGLBSA-N 2 0 214.313 -0.425 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000705814928 712136712 /nfs/dbraw/zinc/13/67/12/712136712.db2.gz VYYGDPVZZCRFQI-SRVKXCTJSA-N 2 0 239.363 -0.088 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000705814930 712136456 /nfs/dbraw/zinc/13/64/56/712136456.db2.gz VYYGDPVZZCRFQI-TUAOUCFPSA-N 2 0 239.363 -0.088 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000705814933 712136360 /nfs/dbraw/zinc/13/63/60/712136360.db2.gz VYYGDPVZZCRFQI-UTUOFQBUSA-N 2 0 239.363 -0.088 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000705814938 712136606 /nfs/dbraw/zinc/13/66/06/712136606.db2.gz VYYGDPVZZCRFQI-WOPDTQHZSA-N 2 0 239.363 -0.088 20 0 BBADRP CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706019469 712139164 /nfs/dbraw/zinc/13/91/64/712139164.db2.gz TUKKMPILFIFVQB-GHMZBOCLSA-N 2 0 242.367 -0.003 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CCN1CCOC1=O ZINC000706638381 712152092 /nfs/dbraw/zinc/15/20/92/712152092.db2.gz VWWXQRAMCREMJG-UHFFFAOYSA-N 2 0 245.323 -0.394 20 0 BBADRP CC[C@H](O)C[N@H+](C)CCOCC[NH2+]C ZINC000706680484 712151863 /nfs/dbraw/zinc/15/18/63/712151863.db2.gz OATISHVFWDOYLZ-JTQLQIEISA-N 2 0 204.314 -0.075 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)C[C@H](O)COC ZINC000706703576 712152631 /nfs/dbraw/zinc/15/26/31/712152631.db2.gz CGRYQJKPDALNSE-JTQLQIEISA-N 2 0 220.313 -0.839 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)COC ZINC000706703577 712152765 /nfs/dbraw/zinc/15/27/65/712152765.db2.gz CGRYQJKPDALNSE-SNVBAGLBSA-N 2 0 220.313 -0.839 20 0 BBADRP COC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000707673434 712176471 /nfs/dbraw/zinc/17/64/71/712176471.db2.gz LMTSIHDHYYNHDY-SECBINFHSA-N 2 0 202.298 -0.193 20 0 BBADRP COC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000707673435 712175871 /nfs/dbraw/zinc/17/58/71/712175871.db2.gz LMTSIHDHYYNHDY-VIFPVBQESA-N 2 0 202.298 -0.193 20 0 BBADRP CC(C)(CNS(C)(=O)=O)[NH2+]CCC[NH3+] ZINC000708314971 712186722 /nfs/dbraw/zinc/18/67/22/712186722.db2.gz KCLHGUFSBSBONU-UHFFFAOYSA-N 2 0 223.342 -0.747 20 0 BBADRP COC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708824698 712199882 /nfs/dbraw/zinc/19/98/82/712199882.db2.gz BISAXFLQQHBLMA-OPRDCNLKSA-N 2 0 202.298 -0.480 20 0 BBADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708830115 712200300 /nfs/dbraw/zinc/20/03/00/712200300.db2.gz KIZMDMNRGBODOL-IJLUTSLNSA-N 2 0 246.351 -0.463 20 0 BBADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000708832127 712200012 /nfs/dbraw/zinc/20/00/12/712200012.db2.gz XFHVMTCNJORGSV-JHJVBQTASA-N 2 0 241.379 -0.030 20 0 BBADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000708832128 712199889 /nfs/dbraw/zinc/19/98/89/712199889.db2.gz XFHVMTCNJORGSV-UPJWGTAASA-N 2 0 241.379 -0.030 20 0 BBADRP C[C@@H]1C[N@H+](CCN2CCOC2=O)C[C@H]1C[NH3+] ZINC000708852846 712201553 /nfs/dbraw/zinc/20/15/53/712201553.db2.gz BYSJOJAPCAVBSE-NXEZZACHSA-N 2 0 227.308 -0.035 20 0 BBADRP CCOC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708864125 712201517 /nfs/dbraw/zinc/20/15/17/712201517.db2.gz WVTQRQXPFOJGPT-GMTAPVOTSA-N 2 0 216.325 -0.090 20 0 BBADRP CCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708864126 712201272 /nfs/dbraw/zinc/20/12/72/712201272.db2.gz WVTQRQXPFOJGPT-HBNTYKKESA-N 2 0 216.325 -0.090 20 0 BBADRP O=C1OCCN1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000709767263 712217729 /nfs/dbraw/zinc/21/77/29/712217729.db2.gz KZEHGFDFXZFCJW-GHMZBOCLSA-N 2 0 239.319 -0.020 20 0 BBADRP O=C1OCCN1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000709767266 712217727 /nfs/dbraw/zinc/21/77/27/712217727.db2.gz KZEHGFDFXZFCJW-QWRGUYRKSA-N 2 0 239.319 -0.020 20 0 BBADRP O=C(N1CCC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC000709890444 712231382 /nfs/dbraw/zinc/23/13/82/712231382.db2.gz UWJFRPJNYASBJB-UHFFFAOYSA-N 2 0 209.293 -0.440 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000710378980 712252933 /nfs/dbraw/zinc/25/29/33/712252933.db2.gz MDKBJGZCZCOCBX-LLVKDONJSA-N 2 0 229.324 -0.580 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000710378982 712253006 /nfs/dbraw/zinc/25/30/06/712253006.db2.gz MDKBJGZCZCOCBX-NSHDSACASA-N 2 0 229.324 -0.580 20 0 BBADRP COC(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710596286 712264117 /nfs/dbraw/zinc/26/41/17/712264117.db2.gz MNCUGRABXAALBG-UHFFFAOYSA-N 2 0 244.335 -0.062 20 0 BBADRP C[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710640406 712264864 /nfs/dbraw/zinc/26/48/64/712264864.db2.gz BNOAAANYDBZQKP-JTQLQIEISA-N 2 0 216.325 -0.244 20 0 BBADRP C[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710640410 711762180 /nfs/dbraw/zinc/76/21/80/711762180.db2.gz BNOAAANYDBZQKP-SNVBAGLBSA-N 2 0 216.325 -0.244 20 0 BBADRP C[NH+](C)CC1(O)CC[NH+](CCCO)CC1 ZINC000710642660 712264798 /nfs/dbraw/zinc/26/47/98/712264798.db2.gz QAFZESBNIAXPRF-UHFFFAOYSA-N 2 0 216.325 -0.243 20 0 BBADRP CNC(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710664118 712265196 /nfs/dbraw/zinc/26/51/96/712265196.db2.gz KIGCUEYPBKECHW-UHFFFAOYSA-N 2 0 243.351 -0.489 20 0 BBADRP CC[C@@H](C(N)=O)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710665253 712265572 /nfs/dbraw/zinc/26/55/72/712265572.db2.gz PVFYCIWGVJRPGJ-JTQLQIEISA-N 2 0 243.351 -0.361 20 0 BBADRP CC[C@H](C(N)=O)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710665255 712265162 /nfs/dbraw/zinc/26/51/62/712265162.db2.gz PVFYCIWGVJRPGJ-SNVBAGLBSA-N 2 0 243.351 -0.361 20 0 BBADRP CN(C)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710666209 712265264 /nfs/dbraw/zinc/26/52/64/712265264.db2.gz WBZGWTXLSXGXMX-UHFFFAOYSA-N 2 0 243.351 -0.537 20 0 BBADRP C[NH+](C)CC1(O)CC[NH+](CCOCCO)CC1 ZINC000710670695 712265676 /nfs/dbraw/zinc/26/56/76/712265676.db2.gz BOMDKGDMDSKSNG-UHFFFAOYSA-N 2 0 246.351 -0.616 20 0 BBADRP COC(C[NH+]1CCC(O)(C[NH+](C)C)CC1)OC ZINC000710672214 712265530 /nfs/dbraw/zinc/26/55/30/712265530.db2.gz PDLVISDEHSQEAS-UHFFFAOYSA-N 2 0 246.351 -0.006 20 0 BBADRP COC[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710672705 712265476 /nfs/dbraw/zinc/26/54/76/712265476.db2.gz VIZZDJBMSBTARB-LLVKDONJSA-N 2 0 246.351 -0.618 20 0 BBADRP COC[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710672706 712265692 /nfs/dbraw/zinc/26/56/92/712265692.db2.gz VIZZDJBMSBTARB-NSHDSACASA-N 2 0 246.351 -0.618 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000710746441 712255407 /nfs/dbraw/zinc/25/54/07/712255407.db2.gz ORULXPYAQNZWMV-JTQLQIEISA-N 2 0 215.297 -0.957 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000710746442 711762982 /nfs/dbraw/zinc/76/29/82/711762982.db2.gz ORULXPYAQNZWMV-SNVBAGLBSA-N 2 0 215.297 -0.957 20 0 BBADRP CNC(=O)NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000710757109 712256504 /nfs/dbraw/zinc/25/65/04/712256504.db2.gz CXCSBULSIBTTLT-UHFFFAOYSA-N 2 0 244.339 -0.107 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000711214872 712289229 /nfs/dbraw/zinc/28/92/29/712289229.db2.gz ICSRQFAGTJXANY-SECBINFHSA-N 2 0 211.309 -0.336 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000711214875 712289239 /nfs/dbraw/zinc/28/92/39/712289239.db2.gz ICSRQFAGTJXANY-VIFPVBQESA-N 2 0 211.309 -0.336 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711215966 712289670 /nfs/dbraw/zinc/28/96/70/712289670.db2.gz QOGVWWGGEONYGB-SECBINFHSA-N 2 0 213.325 -0.090 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711215967 712289626 /nfs/dbraw/zinc/28/96/26/712289626.db2.gz QOGVWWGGEONYGB-VIFPVBQESA-N 2 0 213.325 -0.090 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711216582 712289653 /nfs/dbraw/zinc/28/96/53/712289653.db2.gz UIKXOPYUIVJCDA-SECBINFHSA-N 2 0 213.325 -0.090 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711216583 712289658 /nfs/dbraw/zinc/28/96/58/712289658.db2.gz UIKXOPYUIVJCDA-VIFPVBQESA-N 2 0 213.325 -0.090 20 0 BBADRP [NH3+]CCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711261447 712291999 /nfs/dbraw/zinc/29/19/99/712291999.db2.gz XNXROMXRSLEZNS-KOLCDFICSA-N 2 0 211.309 -0.016 20 0 BBADRP O=C(N1CC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711263027 712292017 /nfs/dbraw/zinc/29/20/17/712292017.db2.gz UIKQYSVOITZLHK-PWSUYJOCSA-N 2 0 223.320 -0.050 20 0 BBADRP C[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711600425 712311903 /nfs/dbraw/zinc/31/19/03/712311903.db2.gz CULLWUCVUALMTM-GXSJLCMTSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+](C)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711600430 712311776 /nfs/dbraw/zinc/31/17/76/712311776.db2.gz CULLWUCVUALMTM-KOLCDFICSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711600438 712311525 /nfs/dbraw/zinc/31/15/25/712311525.db2.gz CULLWUCVUALMTM-MWLCHTKSSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711600442 712311791 /nfs/dbraw/zinc/31/17/91/712311791.db2.gz CULLWUCVUALMTM-ONGXEEELSA-N 2 0 211.309 -0.051 20 0 BBADRP [NH3+]CC1(O)CC[NH+](CCOC2CC2)CC1 ZINC000711778021 712328700 /nfs/dbraw/zinc/32/87/00/712328700.db2.gz ZUHDWBSEOLDRQC-UHFFFAOYSA-N 2 0 214.309 -0.049 20 0 BBADRP C[C@@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1C[NH3+] ZINC000711899337 712338689 /nfs/dbraw/zinc/33/86/89/712338689.db2.gz HYGOMWLATQPBBS-NXEZZACHSA-N 2 0 224.312 -0.410 20 0 BBADRP C[C@H]1C[N@H+](CCn2cnnn2)CC[C@H]1C[NH3+] ZINC000711899342 712338866 /nfs/dbraw/zinc/33/88/66/712338866.db2.gz HYGOMWLATQPBBS-UWVGGRQHSA-N 2 0 224.312 -0.410 20 0 BBADRP C[C@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1C[NH3+] ZINC000711899347 712338789 /nfs/dbraw/zinc/33/87/89/712338789.db2.gz HYGOMWLATQPBBS-VHSXEESVSA-N 2 0 224.312 -0.410 20 0 BBADRP C[C@@H]1C[N@H+](CCn2cnnn2)CC[C@H]1C[NH3+] ZINC000711899361 712338701 /nfs/dbraw/zinc/33/87/01/712338701.db2.gz HYGOMWLATQPBBS-ZJUUUORDSA-N 2 0 224.312 -0.410 20 0 BBADRP C[C@@H]1C[N@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000711903162 712337510 /nfs/dbraw/zinc/33/75/10/712337510.db2.gz PADIAKIEUCTCTP-RKDXNWHRSA-N 2 0 210.285 -0.800 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cnnn1)C2 ZINC000711903731 712337529 /nfs/dbraw/zinc/33/75/29/712337529.db2.gz QTKNKTDJFTUHAO-AEJSXWLSSA-N 2 0 222.296 -0.515 20 0 BBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cnnn1)C2 ZINC000711903743 712337593 /nfs/dbraw/zinc/33/75/93/712337593.db2.gz QTKNKTDJFTUHAO-GUBZILKMSA-N 2 0 222.296 -0.515 20 0 BBADRP c1nnnn1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000711916687 712338835 /nfs/dbraw/zinc/33/88/35/712338835.db2.gz DQROWUCOOINGIS-UHFFFAOYSA-N 2 0 236.323 -0.251 20 0 BBADRP c1nnnn1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000711922188 712339518 /nfs/dbraw/zinc/33/95/18/712339518.db2.gz ZAGFITKERJLICP-VHSXEESVSA-N 2 0 222.296 -0.786 20 0 BBADRP [NH3+]CC[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712549738 712444459 /nfs/dbraw/zinc/44/44/59/712444459.db2.gz AJXOZNIJANMDNG-JTQLQIEISA-N 2 0 224.312 -0.266 20 0 BBADRP [NH3+]CC[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712549739 712444478 /nfs/dbraw/zinc/44/44/78/712444478.db2.gz AJXOZNIJANMDNG-SNVBAGLBSA-N 2 0 224.312 -0.266 20 0 BBADRP C[C@@H]1CC[N@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712550438 712444192 /nfs/dbraw/zinc/44/41/92/712444192.db2.gz GEVWVENXPCSVEP-NXEZZACHSA-N 2 0 224.312 -0.410 20 0 BBADRP C[C@H]1CC[N@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712550439 712444237 /nfs/dbraw/zinc/44/42/37/712444237.db2.gz GEVWVENXPCSVEP-UWVGGRQHSA-N 2 0 224.312 -0.410 20 0 BBADRP C[C@H]1CC[N@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712550440 712444326 /nfs/dbraw/zinc/44/43/26/712444326.db2.gz GEVWVENXPCSVEP-VHSXEESVSA-N 2 0 224.312 -0.410 20 0 BBADRP C[C@@H]1CC[N@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712550444 712444507 /nfs/dbraw/zinc/44/45/07/712444507.db2.gz GEVWVENXPCSVEP-ZJUUUORDSA-N 2 0 224.312 -0.410 20 0 BBADRP C[N@H+](CCn1cnnn1)CC(C)(C)C[NH3+] ZINC000712550455 712444227 /nfs/dbraw/zinc/44/42/27/712444227.db2.gz GHXIHHUBFCVVNP-UHFFFAOYSA-N 2 0 212.301 -0.410 20 0 BBADRP [NH3+]CCC1CC[NH+](CCn2cnnn2)CC1 ZINC000712552119 712445200 /nfs/dbraw/zinc/44/52/00/712445200.db2.gz MIIHMIHYCPTFBL-UHFFFAOYSA-N 2 0 224.312 -0.266 20 0 BBADRP C[NH2+]CC1CC[NH+](CCn2cnnn2)CC1 ZINC000712552833 712444711 /nfs/dbraw/zinc/44/47/11/712444711.db2.gz PXAKWKVQVDHRTF-UHFFFAOYSA-N 2 0 224.312 -0.396 20 0 BBADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000712552861 712444876 /nfs/dbraw/zinc/44/48/76/712444876.db2.gz QVAPAQZIRWSNND-JTQLQIEISA-N 2 0 224.312 -0.124 20 0 BBADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000712552863 712444762 /nfs/dbraw/zinc/44/47/62/712444762.db2.gz QVAPAQZIRWSNND-SNVBAGLBSA-N 2 0 224.312 -0.124 20 0 BBADRP [NH3+]CC1CC[NH+](CCn2cnnn2)CC1 ZINC000712574373 712448280 /nfs/dbraw/zinc/44/82/80/712448280.db2.gz AUHLTGUVPBWJLI-UHFFFAOYSA-N 2 0 210.285 -0.656 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000712574518 712448333 /nfs/dbraw/zinc/44/83/33/712448333.db2.gz CDVXVSAXCGJQPD-BDAKNGLRSA-N 2 0 210.285 -0.658 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000712574521 712448133 /nfs/dbraw/zinc/44/81/33/712448133.db2.gz CDVXVSAXCGJQPD-DTWKUNHWSA-N 2 0 210.285 -0.658 20 0 BBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000712574523 712448143 /nfs/dbraw/zinc/44/81/43/712448143.db2.gz CDVXVSAXCGJQPD-IUCAKERBSA-N 2 0 210.285 -0.658 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000712574526 712448273 /nfs/dbraw/zinc/44/82/73/712448273.db2.gz CDVXVSAXCGJQPD-RKDXNWHRSA-N 2 0 210.285 -0.658 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3cnnn3)C[C@@H]21 ZINC000712575222 712448324 /nfs/dbraw/zinc/44/83/24/712448324.db2.gz GWXWZVJWVYSETC-GARJFASQSA-N 2 0 236.323 -0.268 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3cnnn3)C[C@H]21 ZINC000712575226 712448207 /nfs/dbraw/zinc/44/82/07/712448207.db2.gz GWXWZVJWVYSETC-GMTAPVOTSA-N 2 0 236.323 -0.268 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3cnnn3)C[C@H]21 ZINC000712575229 712448235 /nfs/dbraw/zinc/44/82/35/712448235.db2.gz GWXWZVJWVYSETC-HBNTYKKESA-N 2 0 236.323 -0.268 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3cnnn3)C[C@@H]21 ZINC000712575233 712448327 /nfs/dbraw/zinc/44/83/27/712448327.db2.gz GWXWZVJWVYSETC-OUAUKWLOSA-N 2 0 236.323 -0.268 20 0 BBADRP C[C@@H]1C[C@@H](C)[N@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712575301 712448146 /nfs/dbraw/zinc/44/81/46/712448146.db2.gz HVXFFIVYHYXJBM-GMTAPVOTSA-N 2 0 238.339 -0.022 20 0 BBADRP C[C@@H]1C[C@@H](C)[N@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712575304 712448372 /nfs/dbraw/zinc/44/83/72/712448372.db2.gz HVXFFIVYHYXJBM-MXWKQRLJSA-N 2 0 238.339 -0.022 20 0 BBADRP C[C@@H]1C[C@H](C)[N@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712575307 712448164 /nfs/dbraw/zinc/44/81/64/712448164.db2.gz HVXFFIVYHYXJBM-OUAUKWLOSA-N 2 0 238.339 -0.022 20 0 BBADRP C[C@@H]1C[C@H](C)[N@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712575310 712448113 /nfs/dbraw/zinc/44/81/13/712448113.db2.gz HVXFFIVYHYXJBM-VWYCJHECSA-N 2 0 238.339 -0.022 20 0 BBADRP [NH3+]CC[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000712575388 712448075 /nfs/dbraw/zinc/44/80/75/712448075.db2.gz JMVVINQYAOULKN-SECBINFHSA-N 2 0 210.285 -0.656 20 0 BBADRP [NH3+]CC[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000712575389 712448088 /nfs/dbraw/zinc/44/80/88/712448088.db2.gz JMVVINQYAOULKN-VIFPVBQESA-N 2 0 210.285 -0.656 20 0 BBADRP CC[NH2+]CC1CC[NH+](CCn2cnnn2)CC1 ZINC000712575565 712448170 /nfs/dbraw/zinc/44/81/70/712448170.db2.gz KUANZWZOEIILIE-UHFFFAOYSA-N 2 0 238.339 -0.005 20 0 BBADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCn1cnnn1 ZINC000712576211 712447982 /nfs/dbraw/zinc/44/79/82/712447982.db2.gz PBTKGFKITCBVMT-JTQLQIEISA-N 2 0 226.328 -0.022 20 0 BBADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCn1cnnn1 ZINC000712576213 712448028 /nfs/dbraw/zinc/44/80/28/712448028.db2.gz PBTKGFKITCBVMT-SNVBAGLBSA-N 2 0 226.328 -0.022 20 0 BBADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCn1cnnn1)C2 ZINC000712576762 712448378 /nfs/dbraw/zinc/44/83/78/712448378.db2.gz RFTBQSFIQXMCEI-QWRGUYRKSA-N 2 0 236.323 -0.266 20 0 BBADRP [NH3+]C[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712576888 712448232 /nfs/dbraw/zinc/44/82/32/712448232.db2.gz SYVZVNUKTCGXOV-SECBINFHSA-N 2 0 210.285 -0.656 20 0 BBADRP [NH3+]C[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712576909 712448108 /nfs/dbraw/zinc/44/81/08/712448108.db2.gz SYVZVNUKTCGXOV-VIFPVBQESA-N 2 0 210.285 -0.656 20 0 BBADRP C[NH2+]CCC1CC[NH+](CCn2cnnn2)CC1 ZINC000712577613 712432630 /nfs/dbraw/zinc/43/26/30/712432630.db2.gz XHKASVQLZIMSJR-UHFFFAOYSA-N 2 0 238.339 -0.005 20 0 BBADRP C[C@]1(C[NH3+])CC[N@H+](CCn2cnnn2)C1 ZINC000712578067 712432820 /nfs/dbraw/zinc/43/28/20/712432820.db2.gz XPXKYHUVQAEAOS-SECBINFHSA-N 2 0 210.285 -0.656 20 0 BBADRP C[C@@]1(C[NH3+])CC[N@H+](CCn2cnnn2)C1 ZINC000712578068 712432624 /nfs/dbraw/zinc/43/26/24/712432624.db2.gz XPXKYHUVQAEAOS-VIFPVBQESA-N 2 0 210.285 -0.656 20 0 BBADRP CC[C@@H]1C[N@H+](CCn2cnnn2)CC[C@H]1[NH3+] ZINC000712607927 712437496 /nfs/dbraw/zinc/43/74/96/712437496.db2.gz AQZIVUDQLJHMLC-NXEZZACHSA-N 2 0 224.312 -0.268 20 0 BBADRP CC[C@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1[NH3+] ZINC000712607928 712437734 /nfs/dbraw/zinc/43/77/34/712437734.db2.gz AQZIVUDQLJHMLC-UWVGGRQHSA-N 2 0 224.312 -0.268 20 0 BBADRP CC[C@H]1C[N@H+](CCn2cnnn2)CC[C@H]1[NH3+] ZINC000712607929 712437373 /nfs/dbraw/zinc/43/73/73/712437373.db2.gz AQZIVUDQLJHMLC-VHSXEESVSA-N 2 0 224.312 -0.268 20 0 BBADRP CC[C@@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1[NH3+] ZINC000712607930 712437220 /nfs/dbraw/zinc/43/72/20/712437220.db2.gz AQZIVUDQLJHMLC-ZJUUUORDSA-N 2 0 224.312 -0.268 20 0 BBADRP C[N@H+](CCn1cnnn1)C1CCC([NH3+])CC1 ZINC000712608056 712437529 /nfs/dbraw/zinc/43/75/29/712437529.db2.gz BWZIPDRGBSZJAC-UHFFFAOYSA-N 2 0 224.312 -0.125 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+](CCn2cnnn2)CC1 ZINC000712610842 712437478 /nfs/dbraw/zinc/43/74/78/712437478.db2.gz KEPRNQVHDMLTCX-SECBINFHSA-N 2 0 224.312 -0.268 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+](CCn2cnnn2)CC1 ZINC000712610845 712437362 /nfs/dbraw/zinc/43/73/62/712437362.db2.gz KEPRNQVHDMLTCX-VIFPVBQESA-N 2 0 224.312 -0.268 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712612840 712438124 /nfs/dbraw/zinc/43/81/24/712438124.db2.gz XJYWGRUKUWHOAI-NXEZZACHSA-N 2 0 224.312 -0.268 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712612846 712438077 /nfs/dbraw/zinc/43/80/77/712438077.db2.gz XJYWGRUKUWHOAI-UWVGGRQHSA-N 2 0 224.312 -0.268 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712612850 712437908 /nfs/dbraw/zinc/43/79/08/712437908.db2.gz XJYWGRUKUWHOAI-VHSXEESVSA-N 2 0 224.312 -0.268 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000712612855 712437979 /nfs/dbraw/zinc/43/79/79/712437979.db2.gz XJYWGRUKUWHOAI-ZJUUUORDSA-N 2 0 224.312 -0.268 20 0 BBADRP C[C@@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1[NH3+] ZINC000712613013 712438226 /nfs/dbraw/zinc/43/82/26/712438226.db2.gz YSNSYWAOTGUAJP-BDAKNGLRSA-N 2 0 210.285 -0.658 20 0 BBADRP C[C@H]1C[N@H+](CCn2cnnn2)CC[C@H]1[NH3+] ZINC000712613015 712438007 /nfs/dbraw/zinc/43/80/07/712438007.db2.gz YSNSYWAOTGUAJP-DTWKUNHWSA-N 2 0 210.285 -0.658 20 0 BBADRP C[C@H]1C[N@H+](CCn2cnnn2)CC[C@@H]1[NH3+] ZINC000712613019 712437990 /nfs/dbraw/zinc/43/79/90/712437990.db2.gz YSNSYWAOTGUAJP-IUCAKERBSA-N 2 0 210.285 -0.658 20 0 BBADRP C[C@@H]1C[N@H+](CCn2cnnn2)CC[C@H]1[NH3+] ZINC000712613022 712438055 /nfs/dbraw/zinc/43/80/55/712438055.db2.gz YSNSYWAOTGUAJP-RKDXNWHRSA-N 2 0 210.285 -0.658 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712671915 712440207 /nfs/dbraw/zinc/44/02/07/712440207.db2.gz DIEOPUTUUJRDEN-JTQLQIEISA-N 2 0 243.351 -0.097 20 0 BBADRP C[N@@H+]1CCN(C(=O)COCC[NH3+])CCC1(C)C ZINC000712672014 712440203 /nfs/dbraw/zinc/44/02/03/712440203.db2.gz FIRIPRQKDAFVCE-UHFFFAOYSA-N 2 0 243.351 -0.096 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH2+]CC2)C1 ZINC000712975186 712450637 /nfs/dbraw/zinc/45/06/37/712450637.db2.gz UCACNJSSDTVUEQ-IQJOONFLSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[NH2+]CC2)C1 ZINC000712990445 712448822 /nfs/dbraw/zinc/44/88/22/712448822.db2.gz SYDXGFVYJLJIRO-HOSYDEDBSA-N 2 0 223.320 -0.064 20 0 BBADRP C[NH+](C)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713187873 711452455 /nfs/dbraw/zinc/45/24/55/711452455.db2.gz MYZDACHZHILIMZ-YWVKMMECSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713188981 712453931 /nfs/dbraw/zinc/45/39/31/712453931.db2.gz TZWSBBDVJXOGMN-YWVKMMECSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)C1C[NH2+]C1 ZINC000714249558 712480867 /nfs/dbraw/zinc/48/08/67/712480867.db2.gz YCFWAEHNYWIRAK-HGNGGELXSA-N 2 0 232.349 -0.241 20 0 BBADRP C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)C1C[NH2+]C1 ZINC000714249560 712480771 /nfs/dbraw/zinc/48/07/71/712480771.db2.gz YCFWAEHNYWIRAK-SZEHBUNVSA-N 2 0 232.349 -0.241 20 0 BBADRP O=C1OCCN1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000714537477 712494395 /nfs/dbraw/zinc/49/43/95/712494395.db2.gz QMKWOUDTBHDTJQ-WDEREUQCSA-N 2 0 239.319 -0.020 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715073812 712506289 /nfs/dbraw/zinc/50/62/89/712506289.db2.gz MXTSUCHOZCBFKH-BQBZGAKWSA-N 2 0 221.251 -0.496 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715074720 712506473 /nfs/dbraw/zinc/50/64/73/712506473.db2.gz TTWHVBNHDYHWRC-BQBZGAKWSA-N 2 0 221.251 -0.496 20 0 BBADRP [NH3+]CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715080893 712507293 /nfs/dbraw/zinc/50/72/93/712507293.db2.gz HGJBWILVWXXCLG-WDSKDSINSA-N 2 0 207.224 -0.709 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000715122641 712511079 /nfs/dbraw/zinc/51/10/79/712511079.db2.gz HVLHFQPAGFFKLX-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000715122642 712510972 /nfs/dbraw/zinc/51/09/72/712510972.db2.gz HVLHFQPAGFFKLX-VWYCJHECSA-N 2 0 241.335 -0.297 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715128198 712511392 /nfs/dbraw/zinc/51/13/92/712511392.db2.gz ZJWFZKPTILQRNT-VGMNWLOBSA-N 2 0 247.289 -0.106 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715146440 712512277 /nfs/dbraw/zinc/51/22/77/712512277.db2.gz GKGZORSHPGXZEF-YUMQZZPRSA-N 2 0 235.278 -0.106 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715150539 712512314 /nfs/dbraw/zinc/51/23/14/712512314.db2.gz VNRJAXRWBSRNSZ-YUMQZZPRSA-N 2 0 235.278 -0.106 20 0 BBADRP C[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[NH+](C)C ZINC000715150591 712512537 /nfs/dbraw/zinc/51/25/37/712512537.db2.gz WCZYFKHVLLIHLW-CSMHCCOUSA-N 2 0 235.278 -0.107 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[NH2+]CC2)C1(F)F ZINC000715151055 711537651 /nfs/dbraw/zinc/53/76/51/711537651.db2.gz WYNVGLUFFYNIQO-HTQZYQBOSA-N 2 0 233.262 -0.352 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715154790 712512928 /nfs/dbraw/zinc/51/29/28/712512928.db2.gz ZJWFZKPTILQRNT-CIUDSAMLSA-N 2 0 247.289 -0.106 20 0 BBADRP C[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[NH+](C)C ZINC000715175072 712513351 /nfs/dbraw/zinc/51/33/51/712513351.db2.gz WCZYFKHVLLIHLW-FXQIFTODSA-N 2 0 235.278 -0.107 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000715184647 712513562 /nfs/dbraw/zinc/51/35/62/712513562.db2.gz YNUKPHVSPZBKQM-NFTFJBJSSA-N 2 0 211.309 -0.033 20 0 BBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000715526566 712526224 /nfs/dbraw/zinc/52/62/24/712526224.db2.gz IEUQWZMOUOSSMX-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000715526567 712526225 /nfs/dbraw/zinc/52/62/25/712526225.db2.gz IEUQWZMOUOSSMX-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)COCC[NH3+])C1 ZINC000715526570 712526245 /nfs/dbraw/zinc/52/62/45/712526245.db2.gz IEUQWZMOUOSSMX-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)COCC[NH3+])C1 ZINC000715526571 712526099 /nfs/dbraw/zinc/52/60/99/712526099.db2.gz IEUQWZMOUOSSMX-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000716683279 712570084 /nfs/dbraw/zinc/57/00/84/712570084.db2.gz KSGGJLGZTYODEN-JTQLQIEISA-N 2 0 245.367 -0.197 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000716683280 712570003 /nfs/dbraw/zinc/57/00/03/712570003.db2.gz KSGGJLGZTYODEN-SNVBAGLBSA-N 2 0 245.367 -0.197 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000716786328 712573422 /nfs/dbraw/zinc/57/34/22/712573422.db2.gz PFXCYLJGMKHZLM-JTQLQIEISA-N 2 0 241.335 -0.879 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000716786330 712573452 /nfs/dbraw/zinc/57/34/52/712573452.db2.gz PFXCYLJGMKHZLM-SNVBAGLBSA-N 2 0 241.335 -0.879 20 0 BBADRP O=C(CC[NH2+]CC1CC1)N1CC[NH2+]CC1 ZINC000717236606 712640817 /nfs/dbraw/zinc/64/08/17/712640817.db2.gz ZGDCCAUXJXIQGO-UHFFFAOYSA-N 2 0 211.309 -0.192 20 0 BBADRP COC1(OC)CC[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000717287262 712645255 /nfs/dbraw/zinc/64/52/55/712645255.db2.gz HDEORPCKKLTHOP-NXEZZACHSA-N 2 0 232.324 -0.350 20 0 BBADRP COC1(OC)CC[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000717287263 712645288 /nfs/dbraw/zinc/64/52/88/712645288.db2.gz HDEORPCKKLTHOP-UWVGGRQHSA-N 2 0 232.324 -0.350 20 0 BBADRP COC1(OC)CC[C@H]1NC[C@H](O)C[NH+](C)C ZINC000717287265 712645285 /nfs/dbraw/zinc/64/52/85/712645285.db2.gz HDEORPCKKLTHOP-VHSXEESVSA-N 2 0 232.324 -0.350 20 0 BBADRP COC1(OC)CC[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000717287267 712645262 /nfs/dbraw/zinc/64/52/62/712645262.db2.gz HDEORPCKKLTHOP-ZJUUUORDSA-N 2 0 232.324 -0.350 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000717293823 712645402 /nfs/dbraw/zinc/64/54/02/712645402.db2.gz APVSKVCKVNLJJF-GMTAPVOTSA-N 2 0 227.352 -0.232 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000717293825 712645406 /nfs/dbraw/zinc/64/54/06/712645406.db2.gz APVSKVCKVNLJJF-MXWKQRLJSA-N 2 0 227.352 -0.232 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000717293827 712645441 /nfs/dbraw/zinc/64/54/41/712645441.db2.gz APVSKVCKVNLJJF-OUAUKWLOSA-N 2 0 227.352 -0.232 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000717293829 712645426 /nfs/dbraw/zinc/64/54/26/712645426.db2.gz APVSKVCKVNLJJF-VWYCJHECSA-N 2 0 227.352 -0.232 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000717295732 712645599 /nfs/dbraw/zinc/64/55/99/712645599.db2.gz IMZGTNUMYLBIDT-AXFHLTTASA-N 2 0 215.341 -0.361 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000717295733 712645533 /nfs/dbraw/zinc/64/55/33/712645533.db2.gz IMZGTNUMYLBIDT-DCAQKATOSA-N 2 0 215.341 -0.361 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H](O)C[NH+](C)C ZINC000717295734 712645531 /nfs/dbraw/zinc/64/55/31/712645531.db2.gz IMZGTNUMYLBIDT-GARJFASQSA-N 2 0 215.341 -0.361 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000717295735 712645571 /nfs/dbraw/zinc/64/55/71/712645571.db2.gz IMZGTNUMYLBIDT-HBNTYKKESA-N 2 0 215.341 -0.361 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000717306324 712646028 /nfs/dbraw/zinc/64/60/28/712646028.db2.gz NZODWXYKNYJZTH-MRVPVSSYSA-N 2 0 235.278 -0.091 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000717306327 712645968 /nfs/dbraw/zinc/64/59/68/712645968.db2.gz NZODWXYKNYJZTH-QMMMGPOBSA-N 2 0 235.278 -0.091 20 0 BBADRP C[C@H](O)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000717341939 712649518 /nfs/dbraw/zinc/64/95/18/712649518.db2.gz NTJFBXXQQFQRDV-FIQHERPVSA-N 2 0 228.336 -0.056 20 0 BBADRP C[C@H](O)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000717341940 712649449 /nfs/dbraw/zinc/64/94/49/712649449.db2.gz NTJFBXXQQFQRDV-IRCOFANPSA-N 2 0 228.336 -0.056 20 0 BBADRP C[C@H](O)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000717341941 712649664 /nfs/dbraw/zinc/64/96/64/712649664.db2.gz NTJFBXXQQFQRDV-NNYUYHANSA-N 2 0 228.336 -0.056 20 0 BBADRP C[C@H](O)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000717341942 712649670 /nfs/dbraw/zinc/64/96/70/712649670.db2.gz NTJFBXXQQFQRDV-WHOHXGKFSA-N 2 0 228.336 -0.056 20 0 BBADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)CO ZINC000717425799 712658172 /nfs/dbraw/zinc/65/81/72/712658172.db2.gz NISHMSBZSUNGIQ-HBNTYKKESA-N 2 0 214.309 -0.492 20 0 BBADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC(=O)N1 ZINC000717930025 712734310 /nfs/dbraw/zinc/73/43/10/712734310.db2.gz QHNQQDLPFLTLQW-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717954390 711492743 /nfs/dbraw/zinc/49/27/43/711492743.db2.gz DSVPUHKINZEXHQ-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000719248357 712801416 /nfs/dbraw/zinc/80/14/16/712801416.db2.gz POJVNCQUUDYQAR-FGWVZKOKSA-N 2 0 223.320 -0.051 20 0 BBADRP C[N@@H+](CC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719249188 712801313 /nfs/dbraw/zinc/80/13/13/712801313.db2.gz QTSMIKMBYSVNRK-PBINXNQUSA-N 2 0 211.309 -0.066 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720624152 712859982 /nfs/dbraw/zinc/85/99/82/712859982.db2.gz YVSCQDKDWGSVTL-GARJFASQSA-N 2 0 214.309 -0.465 20 0 BBADRP CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720662124 712860979 /nfs/dbraw/zinc/86/09/79/712860979.db2.gz URRCIIRZCYLMHY-SDDRHHMPSA-N 2 0 228.336 -0.075 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720887765 712874499 /nfs/dbraw/zinc/87/44/99/712874499.db2.gz ITSRXIVZJZEMTQ-NXEZZACHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720887766 712874553 /nfs/dbraw/zinc/87/45/53/712874553.db2.gz ITSRXIVZJZEMTQ-UWVGGRQHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720887769 712874584 /nfs/dbraw/zinc/87/45/84/712874584.db2.gz ITSRXIVZJZEMTQ-VHSXEESVSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720887770 712874187 /nfs/dbraw/zinc/87/41/87/712874187.db2.gz ITSRXIVZJZEMTQ-ZJUUUORDSA-N 2 0 211.309 -0.099 20 0 BBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COCC[NH3+] ZINC000720908731 712877562 /nfs/dbraw/zinc/87/75/62/712877562.db2.gz UFZXNVYOJMJHDP-GHMZBOCLSA-N 2 0 241.335 -0.343 20 0 BBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COCC[NH3+] ZINC000720908736 712877250 /nfs/dbraw/zinc/87/72/50/712877250.db2.gz UFZXNVYOJMJHDP-MNOVXSKESA-N 2 0 241.335 -0.343 20 0 BBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COCC[NH3+] ZINC000720908741 712877334 /nfs/dbraw/zinc/87/73/34/712877334.db2.gz UFZXNVYOJMJHDP-QWRGUYRKSA-N 2 0 241.335 -0.343 20 0 BBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COCC[NH3+] ZINC000720908746 712877088 /nfs/dbraw/zinc/87/70/88/712877088.db2.gz UFZXNVYOJMJHDP-WDEREUQCSA-N 2 0 241.335 -0.343 20 0 BBADRP O[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C1)C[NH+]1CCCC1 ZINC000720916361 712878390 /nfs/dbraw/zinc/87/83/90/712878390.db2.gz SYDOGPNVHNLUSA-IJLUTSLNSA-N 2 0 228.336 -0.196 20 0 BBADRP O[C@@H](C[NH2+]C[C@@H]1C[C@@H](O)C1)C[NH+]1CCCC1 ZINC000720916362 712878564 /nfs/dbraw/zinc/87/85/64/712878564.db2.gz SYDOGPNVHNLUSA-SRVKXCTJSA-N 2 0 228.336 -0.196 20 0 BBADRP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCC[NH2+]CC1 ZINC000720960498 712882878 /nfs/dbraw/zinc/88/28/78/712882878.db2.gz FWCIHYUDHFLTSU-OUAUKWLOSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCC[NH2+]CC1 ZINC000720960501 712882894 /nfs/dbraw/zinc/88/28/94/712882894.db2.gz FWCIHYUDHFLTSU-VWYCJHECSA-N 2 0 223.320 -0.336 20 0 BBADRP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]CC1 ZINC000720962386 712883897 /nfs/dbraw/zinc/88/38/97/712883897.db2.gz MPZMXOGULIBCOT-KXUCPTDWSA-N 2 0 209.293 -0.726 20 0 BBADRP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]CC1 ZINC000720962387 712883882 /nfs/dbraw/zinc/88/38/82/712883882.db2.gz MPZMXOGULIBCOT-UTLUCORTSA-N 2 0 209.293 -0.726 20 0 BBADRP CCN(CC(=O)NC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038114 712887948 /nfs/dbraw/zinc/88/79/48/712887948.db2.gz MPXFCMBCYFFQMF-ZJUUUORDSA-N 2 0 213.325 -0.090 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)CC(=O)N(C)C ZINC000721038167 712887745 /nfs/dbraw/zinc/88/77/45/712887745.db2.gz OYTMTEJFMMWNGV-ZJUUUORDSA-N 2 0 213.325 -0.138 20 0 BBADRP CNC(=O)CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038915 712887853 /nfs/dbraw/zinc/88/78/53/712887853.db2.gz VRRZUSNYYPCLLC-ZJUUUORDSA-N 2 0 213.325 -0.090 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCCNC(=O)C1 ZINC000721039235 712887953 /nfs/dbraw/zinc/88/79/53/712887953.db2.gz YPJHDMXGMXNLQZ-ZJUUUORDSA-N 2 0 211.309 -0.336 20 0 BBADRP CCNC(=O)CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039445 712887538 /nfs/dbraw/zinc/88/75/38/712887538.db2.gz YWNZDDCBQRNUIY-ZJUUUORDSA-N 2 0 213.325 -0.090 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCN2C(=O)NC[C@@H]2C1 ZINC000721040024 712887533 /nfs/dbraw/zinc/88/75/33/712887533.db2.gz NULLWMMRVRBYBI-OUAUKWLOSA-N 2 0 238.335 -0.449 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCN2C(=O)NC[C@H]2C1 ZINC000721040025 712887507 /nfs/dbraw/zinc/88/75/07/712887507.db2.gz NULLWMMRVRBYBI-VWYCJHECSA-N 2 0 238.335 -0.449 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(NC(N)=O)CC1 ZINC000721053198 712888974 /nfs/dbraw/zinc/88/89/74/712888974.db2.gz LAAPNNYHNCWUMM-ZJUUUORDSA-N 2 0 240.351 -0.025 20 0 BBADRP C[N@@H+]1CC[C@@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000721349958 711803004 /nfs/dbraw/zinc/80/30/04/711803004.db2.gz OATNJCJORMLXIH-SECBINFHSA-N 2 0 237.307 -0.102 20 0 BBADRP C[N@@H+]1CC[C@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000721349959 711803078 /nfs/dbraw/zinc/80/30/78/711803078.db2.gz OATNJCJORMLXIH-VIFPVBQESA-N 2 0 237.307 -0.102 20 0 BBADRP C[NH2+]CCCN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722220116 711728565 /nfs/dbraw/zinc/72/85/65/711728565.db2.gz UAYSRBSZCPDXNC-JTQLQIEISA-N 2 0 249.380 -0.391 20 0 BBADRP C[NH2+]CCCN(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722220120 711728594 /nfs/dbraw/zinc/72/85/94/711728594.db2.gz UAYSRBSZCPDXNC-SNVBAGLBSA-N 2 0 249.380 -0.391 20 0 BBADRP [NH3+]CCCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722225892 711698794 /nfs/dbraw/zinc/69/87/94/711698794.db2.gz IGZLZFDNBFHNKM-QMMMGPOBSA-N 2 0 221.326 -0.993 20 0 BBADRP C[NH2+]CCN(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722227705 711728726 /nfs/dbraw/zinc/72/87/26/711728726.db2.gz BDOGCQJVHHXVTJ-SECBINFHSA-N 2 0 235.353 -0.781 20 0 BBADRP C[NH2+]CCN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722227706 711728742 /nfs/dbraw/zinc/72/87/42/711728742.db2.gz BDOGCQJVHHXVTJ-VIFPVBQESA-N 2 0 235.353 -0.781 20 0 BBADRP [NH3+]C1CCC(NS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000722230011 711728715 /nfs/dbraw/zinc/72/87/15/711728715.db2.gz FERBTYPGBDIXHF-UHFFFAOYSA-N 2 0 233.337 -0.853 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[NH2+]CC1 ZINC000722550238 711761357 /nfs/dbraw/zinc/76/13/57/711761357.db2.gz PICHJHAHIBOWEE-NXEZZACHSA-N 2 0 211.309 -0.336 20 0 BBADRP COC[C@@H](C)OC[C@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453209 711511336 /nfs/dbraw/zinc/51/13/36/711511336.db2.gz KJCISCGNFVMXPV-DDHJBXDOSA-N 2 0 246.351 -0.322 20 0 BBADRP COC[C@H](C)OC[C@@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453210 711511503 /nfs/dbraw/zinc/51/15/03/711511503.db2.gz KJCISCGNFVMXPV-NOOOWODRSA-N 2 0 246.351 -0.322 20 0 BBADRP COC[C@@H](C)OC[C@@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453211 711511377 /nfs/dbraw/zinc/51/13/77/711511377.db2.gz KJCISCGNFVMXPV-WISYIIOYSA-N 2 0 246.351 -0.322 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723453264 711511447 /nfs/dbraw/zinc/51/14/47/711511447.db2.gz MVZIDOSXWLWMMA-IJLUTSLNSA-N 2 0 245.367 -0.796 20 0 BBADRP Cn1nncc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723680158 711534097 /nfs/dbraw/zinc/53/40/97/711534097.db2.gz PWQABQHUHQIOSQ-SECBINFHSA-N 2 0 209.297 -0.014 20 0 BBADRP Cn1nncc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723680159 711533929 /nfs/dbraw/zinc/53/39/29/711533929.db2.gz PWQABQHUHQIOSQ-VIFPVBQESA-N 2 0 209.297 -0.014 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691166 711534009 /nfs/dbraw/zinc/53/40/09/711534009.db2.gz JAWUKSKLSUVCDJ-NXEZZACHSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691167 711534177 /nfs/dbraw/zinc/53/41/77/711534177.db2.gz JAWUKSKLSUVCDJ-UWVGGRQHSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691168 711533800 /nfs/dbraw/zinc/53/38/00/711533800.db2.gz JAWUKSKLSUVCDJ-VHSXEESVSA-N 2 0 202.298 -0.336 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691214 711534174 /nfs/dbraw/zinc/53/41/74/711534174.db2.gz JAWUKSKLSUVCDJ-ZJUUUORDSA-N 2 0 202.298 -0.336 20 0 BBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711843 711535637 /nfs/dbraw/zinc/53/56/37/711535637.db2.gz JLENCVQZKRTZKJ-MRVPVSSYSA-N 2 0 228.296 -0.887 20 0 BBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711846 711536027 /nfs/dbraw/zinc/53/60/27/711536027.db2.gz JLENCVQZKRTZKJ-QMMMGPOBSA-N 2 0 228.296 -0.887 20 0 BBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711987 711535743 /nfs/dbraw/zinc/53/57/43/711535743.db2.gz CTBYZBWOSVRXIN-SECBINFHSA-N 2 0 242.323 -0.497 20 0 BBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711988 711535931 /nfs/dbraw/zinc/53/59/31/711535931.db2.gz CTBYZBWOSVRXIN-VIFPVBQESA-N 2 0 242.323 -0.497 20 0 BBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712026 711535662 /nfs/dbraw/zinc/53/56/62/711535662.db2.gz FCCWRHCNPAWHRY-NEPJUHHUSA-N 2 0 246.351 -0.319 20 0 BBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712027 711536047 /nfs/dbraw/zinc/53/60/47/711536047.db2.gz FCCWRHCNPAWHRY-NWDGAFQWSA-N 2 0 246.351 -0.319 20 0 BBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712028 711535898 /nfs/dbraw/zinc/53/58/98/711535898.db2.gz FCCWRHCNPAWHRY-RYUDHWBXSA-N 2 0 246.351 -0.319 20 0 BBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712029 711535822 /nfs/dbraw/zinc/53/58/22/711535822.db2.gz FCCWRHCNPAWHRY-VXGBXAGGSA-N 2 0 246.351 -0.319 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712963 711536062 /nfs/dbraw/zinc/53/60/62/711536062.db2.gz KFWIUVMUISLGCY-SECBINFHSA-N 2 0 242.323 -0.497 20 0 BBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712965 711535699 /nfs/dbraw/zinc/53/56/99/711535699.db2.gz KFWIUVMUISLGCY-VIFPVBQESA-N 2 0 242.323 -0.497 20 0 BBADRP COC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723873464 711541302 /nfs/dbraw/zinc/54/13/02/711541302.db2.gz BISAXFLQQHBLMA-BBBLOLIVSA-N 2 0 202.298 -0.480 20 0 BBADRP C[C@@H]1C[N@H+](CCn2cnnn2)C[C@H]1CC[NH3+] ZINC000723887593 711543492 /nfs/dbraw/zinc/54/34/92/711543492.db2.gz VTIQJURLOMIQBY-NXEZZACHSA-N 2 0 224.312 -0.410 20 0 BBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893022 711543865 /nfs/dbraw/zinc/54/38/65/711543865.db2.gz VSIVSKUOTOYXCJ-RKDXNWHRSA-N 2 0 242.323 -0.641 20 0 BBADRP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CC[NH3+] ZINC000723893592 711543722 /nfs/dbraw/zinc/54/37/22/711543722.db2.gz CCCSKYXIRJRPDI-RKDXNWHRSA-N 2 0 224.312 -0.373 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CC[NH3+] ZINC000723895804 711543681 /nfs/dbraw/zinc/54/36/81/711543681.db2.gz ZTLSSCSCAVNXRN-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CC[NH3+] ZINC000723895808 711544135 /nfs/dbraw/zinc/54/41/35/711544135.db2.gz ZTLSSCSCAVNXRN-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CC[NH3+] ZINC000723899511 711545089 /nfs/dbraw/zinc/54/50/89/711545089.db2.gz CGLSFWOPAABODY-NXEZZACHSA-N 2 0 213.325 -0.009 20 0 BBADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910158 711544839 /nfs/dbraw/zinc/54/48/39/711544839.db2.gz SSXAGSSLBZLUII-GMTAPVOTSA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910162 711545018 /nfs/dbraw/zinc/54/50/18/711545018.db2.gz SSXAGSSLBZLUII-MXWKQRLJSA-N 2 0 216.325 -0.090 20 0 BBADRP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562580 711592450 /nfs/dbraw/zinc/59/24/50/711592450.db2.gz HKWVTHNVUJSPDI-BNDIWNMDSA-N 2 0 238.331 -0.059 20 0 BBADRP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000724562582 711592288 /nfs/dbraw/zinc/59/22/88/711592288.db2.gz HKWVTHNVUJSPDI-KVSVUVNWSA-N 2 0 238.331 -0.059 20 0 BBADRP C([C@H]1C[C@@H]2COC[C@@H]2O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562585 711592305 /nfs/dbraw/zinc/59/23/05/711592305.db2.gz HKWVTHNVUJSPDI-LBELIVKGSA-N 2 0 238.331 -0.059 20 0 BBADRP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562587 711592293 /nfs/dbraw/zinc/59/22/93/711592293.db2.gz HKWVTHNVUJSPDI-NAWOPXAZSA-N 2 0 238.331 -0.059 20 0 BBADRP C([C@@H]1C[C@@H]2COC[C@H]2O1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000724562589 711592495 /nfs/dbraw/zinc/59/24/95/711592495.db2.gz HKWVTHNVUJSPDI-NJMOYASZSA-N 2 0 238.331 -0.059 20 0 BBADRP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562591 711592572 /nfs/dbraw/zinc/59/25/72/711592572.db2.gz HKWVTHNVUJSPDI-WJTVCTBASA-N 2 0 238.331 -0.059 20 0 BBADRP C([C@H]1C[C@H]2COC[C@@H]2O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000724562593 711592592 /nfs/dbraw/zinc/59/25/92/711592592.db2.gz HKWVTHNVUJSPDI-YYHQMBLXSA-N 2 0 238.331 -0.059 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724597176 711596295 /nfs/dbraw/zinc/59/62/95/711596295.db2.gz BBTNLOYVUTXHOO-GRYCIOLGSA-N 2 0 244.335 -0.303 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724597177 711596569 /nfs/dbraw/zinc/59/65/69/711596569.db2.gz BBTNLOYVUTXHOO-SDDRHHMPSA-N 2 0 244.335 -0.303 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724597178 711596330 /nfs/dbraw/zinc/59/63/30/711596330.db2.gz BBTNLOYVUTXHOO-SRVKXCTJSA-N 2 0 244.335 -0.303 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724597179 711596432 /nfs/dbraw/zinc/59/64/32/711596432.db2.gz BBTNLOYVUTXHOO-WOPDTQHZSA-N 2 0 244.335 -0.303 20 0 BBADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000724875122 710747470 /nfs/dbraw/zinc/74/74/70/710747470.db2.gz YLIKIFMQAXAABJ-FBIMIBRVSA-N 2 0 214.309 -0.012 20 0 BBADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000724875125 710747654 /nfs/dbraw/zinc/74/76/54/710747654.db2.gz YLIKIFMQAXAABJ-JMJZKYOTSA-N 2 0 214.309 -0.012 20 0 BBADRP C[N@H+](CCOCC[NH3+])CCO[C@@H]1CCOC1 ZINC000724955324 711634718 /nfs/dbraw/zinc/63/47/18/711634718.db2.gz GRBHFYOCIMIIKV-LLVKDONJSA-N 2 0 232.324 -0.301 20 0 BBADRP C[N@H+](CCOCC[NH3+])CCO[C@H]1CCOC1 ZINC000724955325 711634766 /nfs/dbraw/zinc/63/47/66/711634766.db2.gz GRBHFYOCIMIIKV-NSHDSACASA-N 2 0 232.324 -0.301 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CCO[C@@H]1CCOC1 ZINC000724957060 711634736 /nfs/dbraw/zinc/63/47/36/711634736.db2.gz SILHLLCJBJYNFX-GFCCVEGCSA-N 2 0 246.351 -0.040 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)CCO[C@H]1CCOC1 ZINC000724957061 711634655 /nfs/dbraw/zinc/63/46/55/711634655.db2.gz SILHLLCJBJYNFX-LBPRGKRZSA-N 2 0 246.351 -0.040 20 0 BBADRP [NH3+]CCN1CCC(N2CC[NH2+]CC2)CC1 ZINC000725273789 538105017 /nfs/dbraw/zinc/10/50/17/538105017.db2.gz GWZLINYZYZQSEQ-UHFFFAOYSA-N 2 0 212.341 -0.685 20 0 BBADRP C[NH+](C)CC1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000740877084 644561669 /nfs/dbraw/zinc/56/16/69/644561669.db2.gz YMUCDCYMJIHOHP-UHFFFAOYSA-N 2 0 249.380 -0.452 20 0 BBADRP C[N@H+](CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC000748813968 583551535 /nfs/dbraw/zinc/55/15/35/583551535.db2.gz XIIUASLYPCAYIA-UHFFFAOYSA-N 2 0 243.351 -0.632 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCN1C ZINC000754421648 585284469 /nfs/dbraw/zinc/28/44/69/585284469.db2.gz DTWOSTMXFNZJFU-GHMZBOCLSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCN1C ZINC000754421652 585284389 /nfs/dbraw/zinc/28/43/89/585284389.db2.gz DTWOSTMXFNZJFU-MNOVXSKESA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCN1C ZINC000754421653 585284315 /nfs/dbraw/zinc/28/43/15/585284315.db2.gz DTWOSTMXFNZJFU-QWRGUYRKSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCN1C ZINC000754421654 585284499 /nfs/dbraw/zinc/28/44/99/585284499.db2.gz DTWOSTMXFNZJFU-WDEREUQCSA-N 2 0 241.335 -0.521 20 0 BBADRP Cc1nc(C)c(C)c(N2CCN[C@H](C(N)=O)C2)n1 ZINC000761869738 585421345 /nfs/dbraw/zinc/42/13/45/585421345.db2.gz AYBOBFALFXELLY-JTQLQIEISA-N 2 0 249.318 -0.335 20 0 BBADRP Cc1nc(C)c(C)c(N2CCN[C@@H](C(N)=O)C2)n1 ZINC000761869740 585421414 /nfs/dbraw/zinc/42/14/14/585421414.db2.gz AYBOBFALFXELLY-SNVBAGLBSA-N 2 0 249.318 -0.335 20 0 BBADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC000788477653 585925271 /nfs/dbraw/zinc/92/52/71/585925271.db2.gz YCWXLLQHZGXWFT-LLVKDONJSA-N 2 0 241.335 -0.486 20 0 BBADRP C[NH+]1CCC(C[N@@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC000788477656 585925234 /nfs/dbraw/zinc/92/52/34/585925234.db2.gz YCWXLLQHZGXWFT-NSHDSACASA-N 2 0 241.335 -0.486 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=S)NCC[NH+](C)C ZINC000806590265 586415290 /nfs/dbraw/zinc/41/52/90/586415290.db2.gz CJIHXXZDSVKMQC-VIFPVBQESA-N 2 0 232.397 -0.038 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812322925 586573541 /nfs/dbraw/zinc/57/35/41/586573541.db2.gz JZMKFJNHNGUPEE-MNOVXSKESA-N 2 0 225.336 -0.042 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812322929 586573679 /nfs/dbraw/zinc/57/36/79/586573679.db2.gz JZMKFJNHNGUPEE-WDEREUQCSA-N 2 0 225.336 -0.042 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818230773 586879221 /nfs/dbraw/zinc/87/92/21/586879221.db2.gz MRZBCEOGZRQSFK-IQJOONFLSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818230780 586879194 /nfs/dbraw/zinc/87/91/94/586879194.db2.gz MRZBCEOGZRQSFK-NGZCFLSTSA-N 2 0 209.293 -0.312 20 0 BBADRP CC[NH2+]CC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000818591020 586904101 /nfs/dbraw/zinc/90/41/01/586904101.db2.gz JKCGFTXRMNKMKU-UHFFFAOYSA-N 2 0 243.351 -0.272 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000818603515 586905349 /nfs/dbraw/zinc/90/53/49/586905349.db2.gz AOVZCZVOYJNUOO-DKXJUACHSA-N 2 0 201.245 -0.850 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000818603758 586905626 /nfs/dbraw/zinc/90/56/26/586905626.db2.gz MHKKQOHMCJIVFK-DJLDLDEBSA-N 2 0 209.293 -0.408 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000818603759 586905415 /nfs/dbraw/zinc/90/54/15/586905415.db2.gz MHKKQOHMCJIVFK-YIZRAAEISA-N 2 0 209.293 -0.408 20 0 BBADRP CC[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000818605171 586905048 /nfs/dbraw/zinc/90/50/48/586905048.db2.gz UCIBQUSGXDMNOU-VHSXEESVSA-N 2 0 211.309 -0.194 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000818610897 712590181 /nfs/dbraw/zinc/59/01/81/712590181.db2.gz BQBRTFPTIDRJNY-JTQLQIEISA-N 2 0 209.293 -0.168 20 0 BBADRP [NH3+]C1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000818610898 712590162 /nfs/dbraw/zinc/59/01/62/712590162.db2.gz BQBRTFPTIDRJNY-SNVBAGLBSA-N 2 0 209.293 -0.168 20 0 BBADRP [NH3+]Cc1cccc(C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000818610959 712590257 /nfs/dbraw/zinc/59/02/57/712590257.db2.gz FGHMDLXUTKANFC-GFCCVEGCSA-N 2 0 249.314 -0.137 20 0 BBADRP [NH3+]Cc1cccc(C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000818610960 712590241 /nfs/dbraw/zinc/59/02/41/712590241.db2.gz FGHMDLXUTKANFC-LBPRGKRZSA-N 2 0 249.314 -0.137 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612396 586906750 /nfs/dbraw/zinc/90/67/50/586906750.db2.gz PZLNKKVISFNCSZ-LLVKDONJSA-N 2 0 211.309 -0.050 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612399 586906320 /nfs/dbraw/zinc/90/63/20/586906320.db2.gz PZLNKKVISFNCSZ-NSHDSACASA-N 2 0 211.309 -0.050 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612522 586906775 /nfs/dbraw/zinc/90/67/75/586906775.db2.gz RTMYHAYKIBVYCA-KOLCDFICSA-N 2 0 209.293 -0.297 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612527 586906373 /nfs/dbraw/zinc/90/63/73/586906373.db2.gz RTMYHAYKIBVYCA-MWLCHTKSSA-N 2 0 209.293 -0.297 20 0 BBADRP CC[NH2+]CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000818613948 586906338 /nfs/dbraw/zinc/90/63/38/586906338.db2.gz KGZVHAJLNOWQTD-LURJTMIESA-N 2 0 227.230 -0.008 20 0 BBADRP CC[NH2+]CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000818613949 586906493 /nfs/dbraw/zinc/90/64/93/586906493.db2.gz KGZVHAJLNOWQTD-ZCFIWIBFSA-N 2 0 227.230 -0.008 20 0 BBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C1CC1 ZINC000819034541 586926267 /nfs/dbraw/zinc/92/62/67/586926267.db2.gz PJDSKFGEWAOPBT-AAEUAGOBSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C1CC1 ZINC000819034557 586926454 /nfs/dbraw/zinc/92/64/54/586926454.db2.gz PJDSKFGEWAOPBT-DGCLKSJQSA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C1CC1 ZINC000819034563 586926528 /nfs/dbraw/zinc/92/65/28/586926528.db2.gz PJDSKFGEWAOPBT-WCQYABFASA-N 2 0 241.379 -0.017 20 0 BBADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C1CC1 ZINC000819034568 586926220 /nfs/dbraw/zinc/92/62/20/586926220.db2.gz PJDSKFGEWAOPBT-YPMHNXCESA-N 2 0 241.379 -0.017 20 0 BBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)C1CC1 ZINC000819210221 586939656 /nfs/dbraw/zinc/93/96/56/586939656.db2.gz ABAJSAVZHCVOEU-LLVKDONJSA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)C1CC1 ZINC000819210222 586939502 /nfs/dbraw/zinc/93/95/02/586939502.db2.gz ABAJSAVZHCVOEU-NSHDSACASA-N 2 0 216.325 -0.075 20 0 BBADRP CON(C)C(=O)CC[NH2+]CCOCC[NH+](C)C ZINC000819210524 586939487 /nfs/dbraw/zinc/93/94/87/586939487.db2.gz GOJIZMYKYAFZHL-UHFFFAOYSA-N 2 0 247.339 -0.436 20 0 BBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C[NH+]1CCCC1 ZINC000821248341 587103552 /nfs/dbraw/zinc/10/35/52/587103552.db2.gz XOUDJKIPNZKGCU-GFCCVEGCSA-N 2 0 243.351 -0.489 20 0 BBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C[NH+]1CCCC1 ZINC000821248343 587103651 /nfs/dbraw/zinc/10/36/51/587103651.db2.gz XOUDJKIPNZKGCU-LBPRGKRZSA-N 2 0 243.351 -0.489 20 0 BBADRP C[NH+](C)CCOCCNC(=O)C[NH+]1CCCC1 ZINC000821742978 587136669 /nfs/dbraw/zinc/13/66/69/587136669.db2.gz LEPWFEDPQDTQRD-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC000821954628 587147717 /nfs/dbraw/zinc/14/77/17/587147717.db2.gz HZHKUKSQRLYMSZ-GFCCVEGCSA-N 2 0 241.335 -0.735 20 0 BBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC000821954630 587148009 /nfs/dbraw/zinc/14/80/09/587148009.db2.gz HZHKUKSQRLYMSZ-LBPRGKRZSA-N 2 0 241.335 -0.735 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000822933593 587194496 /nfs/dbraw/zinc/19/44/96/587194496.db2.gz KROXQUURKVKBMK-JTQLQIEISA-N 2 0 229.324 -0.879 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000822933594 587194513 /nfs/dbraw/zinc/19/45/13/587194513.db2.gz KROXQUURKVKBMK-SNVBAGLBSA-N 2 0 229.324 -0.879 20 0 BBADRP C[NH+](C)CCONC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000823254804 587211272 /nfs/dbraw/zinc/21/12/72/587211272.db2.gz DJUCQJSLCZSOFK-JTQLQIEISA-N 2 0 229.324 -0.062 20 0 BBADRP C[NH+](C)CCONC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823254805 587211510 /nfs/dbraw/zinc/21/15/10/587211510.db2.gz DJUCQJSLCZSOFK-SNVBAGLBSA-N 2 0 229.324 -0.062 20 0 BBADRP O=C(C[NH+]1CCCC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000825015264 587298487 /nfs/dbraw/zinc/29/84/87/587298487.db2.gz NWQHSLQZHGGUGW-LLVKDONJSA-N 2 0 241.335 -0.735 20 0 BBADRP O=C(C[NH+]1CCCC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000825088785 587303729 /nfs/dbraw/zinc/30/37/29/587303729.db2.gz NWQHSLQZHGGUGW-NSHDSACASA-N 2 0 241.335 -0.735 20 0 BBADRP Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc(N)[nH+]1 ZINC000826573758 587355329 /nfs/dbraw/zinc/35/53/29/587355329.db2.gz IRYGVZJFZIWBAH-SNVBAGLBSA-N 2 0 249.318 -0.378 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000827485596 587382874 /nfs/dbraw/zinc/38/28/74/587382874.db2.gz UQNXMQXFLCBGNO-GXSJLCMTSA-N 2 0 229.299 -0.244 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000827485597 587382855 /nfs/dbraw/zinc/38/28/55/587382855.db2.gz UQNXMQXFLCBGNO-KOLCDFICSA-N 2 0 229.299 -0.244 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000827485598 587382733 /nfs/dbraw/zinc/38/27/33/587382733.db2.gz UQNXMQXFLCBGNO-MWLCHTKSSA-N 2 0 229.299 -0.244 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000827485599 587383012 /nfs/dbraw/zinc/38/30/12/587383012.db2.gz UQNXMQXFLCBGNO-ONGXEEELSA-N 2 0 229.299 -0.244 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000827528879 587385952 /nfs/dbraw/zinc/38/59/52/587385952.db2.gz CPGIMBPGBCXHSK-GXSJLCMTSA-N 2 0 229.299 -0.102 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000827528880 587386340 /nfs/dbraw/zinc/38/63/40/587386340.db2.gz CPGIMBPGBCXHSK-KOLCDFICSA-N 2 0 229.299 -0.102 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000827528881 587386048 /nfs/dbraw/zinc/38/60/48/587386048.db2.gz CPGIMBPGBCXHSK-MWLCHTKSSA-N 2 0 229.299 -0.102 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000827528882 587384343 /nfs/dbraw/zinc/38/43/43/587384343.db2.gz CPGIMBPGBCXHSK-ONGXEEELSA-N 2 0 229.299 -0.102 20 0 BBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cn1 ZINC000827924388 587410141 /nfs/dbraw/zinc/41/01/41/587410141.db2.gz DCMJDDSZLANZPW-ZJUUUORDSA-N 2 0 237.307 -0.270 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827936123 587411209 /nfs/dbraw/zinc/41/12/09/587411209.db2.gz DZFOGEVLRJSDAT-CHWFTXMASA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827936124 587410886 /nfs/dbraw/zinc/41/08/86/587410886.db2.gz DZFOGEVLRJSDAT-VPOLOUISSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827936125 587411060 /nfs/dbraw/zinc/41/10/60/587411060.db2.gz DZFOGEVLRJSDAT-XWLWVQCSSA-N 2 0 239.319 -0.687 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827936126 587410980 /nfs/dbraw/zinc/41/09/80/587410980.db2.gz DZFOGEVLRJSDAT-ZRUFSTJUSA-N 2 0 239.319 -0.687 20 0 BBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH2+]1 ZINC000827936269 587411413 /nfs/dbraw/zinc/41/14/13/587411413.db2.gz IEKWCTZKIVAVCX-GARJFASQSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH2+]1 ZINC000827936271 587411366 /nfs/dbraw/zinc/41/13/66/587411366.db2.gz IEKWCTZKIVAVCX-OUAUKWLOSA-N 2 0 239.319 -0.672 20 0 BBADRP CC[N@H+](CCNC(=O)COCC[NH3+])C(C)C ZINC000828318644 587434646 /nfs/dbraw/zinc/43/46/46/587434646.db2.gz SXXFECBPJGIDDI-UHFFFAOYSA-N 2 0 231.340 -0.192 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000828993935 587478017 /nfs/dbraw/zinc/47/80/17/587478017.db2.gz VNYJRVNKOYADJL-GARJFASQSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000828993936 587478045 /nfs/dbraw/zinc/47/80/45/587478045.db2.gz VNYJRVNKOYADJL-OUAUKWLOSA-N 2 0 223.320 -0.066 20 0 BBADRP C[N@H+](CCO)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000829749240 587513586 /nfs/dbraw/zinc/51/35/86/587513586.db2.gz GBIJCZWYSWFRAI-UHFFFAOYSA-N 2 0 245.367 -0.195 20 0 BBADRP COC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000831088760 587585805 /nfs/dbraw/zinc/58/58/05/587585805.db2.gz MBVKPUSTFBFACQ-MNOVXSKESA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000831108942 587586511 /nfs/dbraw/zinc/58/65/11/587586511.db2.gz UCTHWFQIXAJNNW-CBAPKCEASA-N 2 0 200.286 -0.615 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000831108948 587586753 /nfs/dbraw/zinc/58/67/53/587586753.db2.gz UCTHWFQIXAJNNW-IONNQARKSA-N 2 0 200.286 -0.615 20 0 BBADRP [NH3+]CCCCCCNC(=O)NCC[NH3+] ZINC000831171801 587589052 /nfs/dbraw/zinc/58/90/52/587589052.db2.gz AHVSBLRKCBLJLF-UHFFFAOYSA-N 2 0 202.302 -0.237 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000831191743 587591108 /nfs/dbraw/zinc/59/11/08/587591108.db2.gz SFBPAJPZAPNDGG-CSMHCCOUSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000831191745 587590873 /nfs/dbraw/zinc/59/08/73/587590873.db2.gz SFBPAJPZAPNDGG-FXQIFTODSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000831191746 587590940 /nfs/dbraw/zinc/59/09/40/587590940.db2.gz SFBPAJPZAPNDGG-PRJMDXOYSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)C[NH3+] ZINC000831191748 587590954 /nfs/dbraw/zinc/59/09/54/587590954.db2.gz SFBPAJPZAPNDGG-RNJXMRFFSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831193081 587590820 /nfs/dbraw/zinc/59/08/20/587590820.db2.gz CORRJXDDEBEDFF-DTWKUNHWSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831193086 587590803 /nfs/dbraw/zinc/59/08/03/587590803.db2.gz CORRJXDDEBEDFF-IUCAKERBSA-N 2 0 226.324 -0.225 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831193564 587591116 /nfs/dbraw/zinc/59/11/16/587591116.db2.gz NDRHDTBCFRZDMC-JTQLQIEISA-N 2 0 240.351 -0.011 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831193565 587590997 /nfs/dbraw/zinc/59/09/97/587590997.db2.gz NDRHDTBCFRZDMC-SNVBAGLBSA-N 2 0 240.351 -0.011 20 0 BBADRP [NH3+]CCCCCCNC(=O)N(CC[NH3+])CCO ZINC000831292221 587596000 /nfs/dbraw/zinc/59/60/00/587596000.db2.gz VCLLGTWJNKQEGX-UHFFFAOYSA-N 2 0 246.355 -0.532 20 0 BBADRP [NH3+]C1(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)CCC1 ZINC000831546337 587618394 /nfs/dbraw/zinc/61/83/94/587618394.db2.gz VAHRCPFIHGWHBA-UHFFFAOYSA-N 2 0 249.318 -0.333 20 0 BBADRP C[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000831578673 587620266 /nfs/dbraw/zinc/62/02/66/587620266.db2.gz SSQIJFJBTREKCE-MRVPVSSYSA-N 2 0 249.318 -0.511 20 0 BBADRP O=C(N1CC[C@@]2(CC[NH2+]C2)C1)[C@]1(F)CC[NH2+]C1 ZINC000831578990 587619977 /nfs/dbraw/zinc/61/99/77/587619977.db2.gz XDMWBIDTIVWDMD-NEPJUHHUSA-N 2 0 241.310 -0.100 20 0 BBADRP O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000831578991 587620218 /nfs/dbraw/zinc/62/02/18/587620218.db2.gz XDMWBIDTIVWDMD-NWDGAFQWSA-N 2 0 241.310 -0.100 20 0 BBADRP O=C(N1CC[C@]2(CC[NH2+]C2)C1)[C@]1(F)CC[NH2+]C1 ZINC000831578992 587620091 /nfs/dbraw/zinc/62/00/91/587620091.db2.gz XDMWBIDTIVWDMD-RYUDHWBXSA-N 2 0 241.310 -0.100 20 0 BBADRP O=C(N1CC[C@@]2(CC[NH2+]C2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000831578993 587620379 /nfs/dbraw/zinc/62/03/79/587620379.db2.gz XDMWBIDTIVWDMD-VXGBXAGGSA-N 2 0 241.310 -0.100 20 0 BBADRP CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[NH2+]1 ZINC000831598819 587622466 /nfs/dbraw/zinc/62/24/66/587622466.db2.gz FGQKLPYPPNJAPX-KXUCPTDWSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]1 ZINC000831611341 587623514 /nfs/dbraw/zinc/62/35/14/587623514.db2.gz SSQIJFJBTREKCE-QMMMGPOBSA-N 2 0 249.318 -0.511 20 0 BBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@]1(F)CC[NH2+]C1 ZINC000831701239 587627909 /nfs/dbraw/zinc/62/79/09/587627909.db2.gz ZKMRWTZIHVGQOF-JBLDHEPKSA-N 2 0 241.310 -0.102 20 0 BBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@]1(F)CC[NH2+]C1 ZINC000831701241 587627978 /nfs/dbraw/zinc/62/79/78/587627978.db2.gz ZKMRWTZIHVGQOF-JFGNBEQYSA-N 2 0 241.310 -0.102 20 0 BBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@]1(F)CC[NH2+]C1 ZINC000831701243 587628036 /nfs/dbraw/zinc/62/80/36/587628036.db2.gz ZKMRWTZIHVGQOF-NHCYSSNCSA-N 2 0 241.310 -0.102 20 0 BBADRP O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@]1(F)CC[NH2+]C1 ZINC000831701245 587627861 /nfs/dbraw/zinc/62/78/61/587627861.db2.gz ZKMRWTZIHVGQOF-SCVCMEIPSA-N 2 0 241.310 -0.102 20 0 BBADRP CCO[C@@H](CNC(=O)C[NH+](C)C)C[NH+](C)C ZINC000831752769 587630509 /nfs/dbraw/zinc/63/05/09/587630509.db2.gz ZYVVIWHBCNUSPJ-JTQLQIEISA-N 2 0 231.340 -0.369 20 0 BBADRP CCO[C@H](CNC(=O)C[NH+](C)C)C[NH+](C)C ZINC000831752771 587630565 /nfs/dbraw/zinc/63/05/65/587630565.db2.gz ZYVVIWHBCNUSPJ-SNVBAGLBSA-N 2 0 231.340 -0.369 20 0 BBADRP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+](C)C ZINC000831870885 587635363 /nfs/dbraw/zinc/63/53/63/587635363.db2.gz KLSPHXJXPCIHEM-PSASIEDQSA-N 2 0 217.288 -0.246 20 0 BBADRP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+](C)C ZINC000831870886 587635060 /nfs/dbraw/zinc/63/50/60/587635060.db2.gz KLSPHXJXPCIHEM-SCZZXKLOSA-N 2 0 217.288 -0.246 20 0 BBADRP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+](C)C ZINC000831870887 587635300 /nfs/dbraw/zinc/63/53/00/587635300.db2.gz KLSPHXJXPCIHEM-WCBMZHEXSA-N 2 0 217.288 -0.246 20 0 BBADRP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+](C)C ZINC000831870888 587635146 /nfs/dbraw/zinc/63/51/46/587635146.db2.gz KLSPHXJXPCIHEM-WPRPVWTQSA-N 2 0 217.288 -0.246 20 0 BBADRP O=C(N1CC[NH+]2CCC1CC2)[C@@]1(F)CC[NH2+]C1 ZINC000831927563 587636689 /nfs/dbraw/zinc/63/66/89/587636689.db2.gz MLKWNEYQFNZYFU-GFCCVEGCSA-N 2 0 241.310 -0.005 20 0 BBADRP O=C(N1CC[NH+]2CCC1CC2)[C@]1(F)CC[NH2+]C1 ZINC000831927564 587636983 /nfs/dbraw/zinc/63/69/83/587636983.db2.gz MLKWNEYQFNZYFU-LBPRGKRZSA-N 2 0 241.310 -0.005 20 0 BBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000831970357 587640746 /nfs/dbraw/zinc/64/07/46/587640746.db2.gz FCDINWBYSFIEOK-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000831970358 587640540 /nfs/dbraw/zinc/64/05/40/587640540.db2.gz FCDINWBYSFIEOK-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000831970846 587640253 /nfs/dbraw/zinc/64/02/53/587640253.db2.gz NHQJNDXNMWXMHG-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000831970849 587640619 /nfs/dbraw/zinc/64/06/19/587640619.db2.gz NHQJNDXNMWXMHG-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP COCC[NH2+]CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970863 587640679 /nfs/dbraw/zinc/64/06/79/587640679.db2.gz NKTDAJBVLGWJTI-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP COCC[NH2+]CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970870 587640806 /nfs/dbraw/zinc/64/08/06/587640806.db2.gz NKTDAJBVLGWJTI-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000831970939 587640204 /nfs/dbraw/zinc/64/02/04/587640204.db2.gz OOBMFJDXHHZGJL-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000831970940 587640734 /nfs/dbraw/zinc/64/07/34/587640734.db2.gz OOBMFJDXHHZGJL-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000831970941 587640277 /nfs/dbraw/zinc/64/02/77/587640277.db2.gz OOBMFJDXHHZGJL-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000831970942 587640447 /nfs/dbraw/zinc/64/04/47/587640447.db2.gz OOBMFJDXHHZGJL-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970943 587640911 /nfs/dbraw/zinc/64/09/11/587640911.db2.gz OONZKNJWQKTVSB-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970944 587640327 /nfs/dbraw/zinc/64/03/27/587640327.db2.gz OONZKNJWQKTVSB-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970945 587640418 /nfs/dbraw/zinc/64/04/18/587640418.db2.gz OONZKNJWQKTVSB-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970946 587640366 /nfs/dbraw/zinc/64/03/66/587640366.db2.gz OONZKNJWQKTVSB-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000831971272 587640964 /nfs/dbraw/zinc/64/09/64/587640964.db2.gz UULNEJRFOVIFTO-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000831971274 587640530 /nfs/dbraw/zinc/64/05/30/587640530.db2.gz UULNEJRFOVIFTO-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831998689 587642303 /nfs/dbraw/zinc/64/23/03/587642303.db2.gz QCPPKZFUERAGFY-LLVKDONJSA-N 2 0 247.314 -0.618 20 0 BBADRP C[NH+](C)CCOCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831998690 587642202 /nfs/dbraw/zinc/64/22/02/587642202.db2.gz QCPPKZFUERAGFY-NSHDSACASA-N 2 0 247.314 -0.618 20 0 BBADRP O=C(NC1CC[NH2+]CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000832213305 587650523 /nfs/dbraw/zinc/65/05/23/587650523.db2.gz UCBLSQOVNTZXJB-UHFFFAOYSA-N 2 0 249.318 -0.463 20 0 BBADRP [NH3+]CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832231895 587651803 /nfs/dbraw/zinc/65/18/03/587651803.db2.gz OORLSWOSSCFRMG-UHFFFAOYSA-N 2 0 223.280 -0.866 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000832363635 587656237 /nfs/dbraw/zinc/65/62/37/587656237.db2.gz WCQYPVZKUVJSRE-LLVKDONJSA-N 2 0 229.299 -0.196 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000832363636 587656479 /nfs/dbraw/zinc/65/64/79/587656479.db2.gz WCQYPVZKUVJSRE-NSHDSACASA-N 2 0 229.299 -0.196 20 0 BBADRP [NH3+][C@H](CC(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000832393340 587657708 /nfs/dbraw/zinc/65/77/08/587657708.db2.gz OOJPUUHKIYLZEX-LLVKDONJSA-N 2 0 240.351 -0.865 20 0 BBADRP [NH3+][C@@H](CC(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000832393341 587657591 /nfs/dbraw/zinc/65/75/91/587657591.db2.gz OOJPUUHKIYLZEX-NSHDSACASA-N 2 0 240.351 -0.865 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000832410195 587658615 /nfs/dbraw/zinc/65/86/15/587658615.db2.gz RZSSPSDTKNWKKV-SSDOTTSWSA-N 2 0 235.291 -0.853 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000832410196 587658714 /nfs/dbraw/zinc/65/87/14/587658714.db2.gz RZSSPSDTKNWKKV-ZETCQYMHSA-N 2 0 235.291 -0.853 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000832459706 587661433 /nfs/dbraw/zinc/66/14/33/587661433.db2.gz UTBQBWSDTNJYMA-GXSJLCMTSA-N 2 0 229.299 -0.115 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000832459707 587661264 /nfs/dbraw/zinc/66/12/64/587661264.db2.gz UTBQBWSDTNJYMA-KOLCDFICSA-N 2 0 229.299 -0.115 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000832459708 587661320 /nfs/dbraw/zinc/66/13/20/587661320.db2.gz UTBQBWSDTNJYMA-MWLCHTKSSA-N 2 0 229.299 -0.115 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000832459709 587661210 /nfs/dbraw/zinc/66/12/10/587661210.db2.gz UTBQBWSDTNJYMA-ONGXEEELSA-N 2 0 229.299 -0.115 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832465114 587661691 /nfs/dbraw/zinc/66/16/91/587661691.db2.gz AYGVVOPBGMUVQS-MRVPVSSYSA-N 2 0 249.318 -0.511 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832465116 587661852 /nfs/dbraw/zinc/66/18/52/587661852.db2.gz AYGVVOPBGMUVQS-QMMMGPOBSA-N 2 0 249.318 -0.511 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000832554117 587665837 /nfs/dbraw/zinc/66/58/37/587665837.db2.gz FHLMDQXEFHAKJD-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000832554119 587665888 /nfs/dbraw/zinc/66/58/88/587665888.db2.gz FHLMDQXEFHAKJD-DTWKUNHWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000832554121 587665804 /nfs/dbraw/zinc/66/58/04/587665804.db2.gz FHLMDQXEFHAKJD-IUCAKERBSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000832554122 587665815 /nfs/dbraw/zinc/66/58/15/587665815.db2.gz FHLMDQXEFHAKJD-RKDXNWHRSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]CCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832573102 584911754 /nfs/dbraw/zinc/91/17/54/584911754.db2.gz AFUORMQCKXOHAN-UHFFFAOYSA-N 2 0 223.280 -0.995 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000832643648 587672853 /nfs/dbraw/zinc/67/28/53/587672853.db2.gz CILWODQQPQRBSI-GXSJLCMTSA-N 2 0 229.299 -0.244 20 0 BBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000832643649 587672808 /nfs/dbraw/zinc/67/28/08/587672808.db2.gz CILWODQQPQRBSI-KOLCDFICSA-N 2 0 229.299 -0.244 20 0 BBADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000832643650 587672691 /nfs/dbraw/zinc/67/26/91/587672691.db2.gz CILWODQQPQRBSI-MWLCHTKSSA-N 2 0 229.299 -0.244 20 0 BBADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000832643651 587672803 /nfs/dbraw/zinc/67/28/03/587672803.db2.gz CILWODQQPQRBSI-ONGXEEELSA-N 2 0 229.299 -0.244 20 0 BBADRP C[NH2+]C1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000832662672 587675890 /nfs/dbraw/zinc/67/58/90/587675890.db2.gz QQYGEMCUQJIELG-LLVKDONJSA-N 2 0 229.299 -0.102 20 0 BBADRP C[NH2+]C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000832662674 587675581 /nfs/dbraw/zinc/67/55/81/587675581.db2.gz QQYGEMCUQJIELG-NSHDSACASA-N 2 0 229.299 -0.102 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000832737507 587681608 /nfs/dbraw/zinc/68/16/08/587681608.db2.gz WYIJQYIDGMIWIX-FXPVBKGRSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000832737508 587681518 /nfs/dbraw/zinc/68/15/18/587681518.db2.gz WYIJQYIDGMIWIX-KKZNHRDASA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000832737509 587681420 /nfs/dbraw/zinc/68/14/20/587681420.db2.gz WYIJQYIDGMIWIX-WCABBAIRSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000832737510 587681604 /nfs/dbraw/zinc/68/16/04/587681604.db2.gz WYIJQYIDGMIWIX-YWVKMMECSA-N 2 0 229.299 -0.116 20 0 BBADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)C1CCC([NH3+])CC1 ZINC000832828702 587692676 /nfs/dbraw/zinc/69/26/76/587692676.db2.gz JDLOHKPRVIISLU-ILDUYXDCSA-N 2 0 241.335 -0.297 20 0 BBADRP CN(C(=O)[C@H]1C[NH2+]CCO1)C1CCC([NH3+])CC1 ZINC000832828703 587692731 /nfs/dbraw/zinc/69/27/31/587692731.db2.gz JDLOHKPRVIISLU-VQXHTEKXSA-N 2 0 241.335 -0.297 20 0 BBADRP CN1CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H](C[NH3+])C1 ZINC000834299683 587750850 /nfs/dbraw/zinc/75/08/50/587750850.db2.gz WXUWHZIQYRVTRJ-GHMZBOCLSA-N 2 0 240.351 -0.785 20 0 BBADRP CN1CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@H](C[NH3+])C1 ZINC000834299684 587750866 /nfs/dbraw/zinc/75/08/66/587750866.db2.gz WXUWHZIQYRVTRJ-MNOVXSKESA-N 2 0 240.351 -0.785 20 0 BBADRP CN1CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@@H](C[NH3+])C1 ZINC000834299685 587750739 /nfs/dbraw/zinc/75/07/39/587750739.db2.gz WXUWHZIQYRVTRJ-QWRGUYRKSA-N 2 0 240.351 -0.785 20 0 BBADRP CN1CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@@H](C[NH3+])C1 ZINC000834299686 587750804 /nfs/dbraw/zinc/75/08/04/587750804.db2.gz WXUWHZIQYRVTRJ-WDEREUQCSA-N 2 0 240.351 -0.785 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CCO1 ZINC000834317216 587751241 /nfs/dbraw/zinc/75/12/41/587751241.db2.gz RMHLPXQWYYYSFD-GDPRMGEGSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CCO1 ZINC000834317217 587751311 /nfs/dbraw/zinc/75/13/11/587751311.db2.gz RMHLPXQWYYYSFD-INTQDDNPSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CCO1 ZINC000834317218 587751299 /nfs/dbraw/zinc/75/12/99/587751299.db2.gz RMHLPXQWYYYSFD-JMJZKYOTSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CCO1 ZINC000834317219 587751359 /nfs/dbraw/zinc/75/13/59/587751359.db2.gz RMHLPXQWYYYSFD-LSJOCFKGSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834341481 587752512 /nfs/dbraw/zinc/75/25/12/587752512.db2.gz VZUZAFFUFMQIHF-SSDOTTSWSA-N 2 0 237.307 -0.620 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834341483 587752632 /nfs/dbraw/zinc/75/26/32/587752632.db2.gz VZUZAFFUFMQIHF-ZETCQYMHSA-N 2 0 237.307 -0.620 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834360924 587752983 /nfs/dbraw/zinc/75/29/83/587752983.db2.gz APIFQPJSIAOXNJ-FXPVBKGRSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000834360925 587753145 /nfs/dbraw/zinc/75/31/45/587753145.db2.gz APIFQPJSIAOXNJ-KKZNHRDASA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834360926 587753119 /nfs/dbraw/zinc/75/31/19/587753119.db2.gz APIFQPJSIAOXNJ-WCABBAIRSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000834360927 587753002 /nfs/dbraw/zinc/75/30/02/587753002.db2.gz APIFQPJSIAOXNJ-YWVKMMECSA-N 2 0 229.299 -0.116 20 0 BBADRP COCC[NH2+]CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000834408973 645141324 /nfs/dbraw/zinc/14/13/24/645141324.db2.gz ZVLRSLOJXUAPMT-JTQLQIEISA-N 2 0 229.324 -0.534 20 0 BBADRP COCC[NH2+]CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834408974 645141479 /nfs/dbraw/zinc/14/14/79/645141479.db2.gz ZVLRSLOJXUAPMT-SNVBAGLBSA-N 2 0 229.324 -0.534 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448510 587755348 /nfs/dbraw/zinc/75/53/48/587755348.db2.gz QEWFZAHEQVYELM-SNVBAGLBSA-N 2 0 223.320 -0.050 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834452764 587755497 /nfs/dbraw/zinc/75/54/97/587755497.db2.gz LPHDBZLMAGPGQQ-SSDOTTSWSA-N 2 0 237.307 -0.478 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834452765 587755468 /nfs/dbraw/zinc/75/54/68/587755468.db2.gz LPHDBZLMAGPGQQ-ZETCQYMHSA-N 2 0 237.307 -0.478 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000834460247 587755622 /nfs/dbraw/zinc/75/56/22/587755622.db2.gz CJFRDMOBNXROKB-ATZCPNFKSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000834460248 587755562 /nfs/dbraw/zinc/75/55/62/587755562.db2.gz CJFRDMOBNXROKB-IQJOONFLSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000834460249 587755557 /nfs/dbraw/zinc/75/55/57/587755557.db2.gz CJFRDMOBNXROKB-NGZCFLSTSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000834460250 587755594 /nfs/dbraw/zinc/75/55/94/587755594.db2.gz CJFRDMOBNXROKB-QXEWZRGKSA-N 2 0 229.299 -0.116 20 0 BBADRP C[C@H](C[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834521170 587758523 /nfs/dbraw/zinc/75/85/23/587758523.db2.gz DGHKVXXNPPCPED-ZCFIWIBFSA-N 2 0 223.280 -0.868 20 0 BBADRP [NH3+]Cc1cccc(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000834528099 587758943 /nfs/dbraw/zinc/75/89/43/587758943.db2.gz AXZUYYUACHUQKX-GFCCVEGCSA-N 2 0 249.314 -0.055 20 0 BBADRP [NH3+]Cc1cccc(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000834528100 587758853 /nfs/dbraw/zinc/75/88/53/587758853.db2.gz AXZUYYUACHUQKX-LBPRGKRZSA-N 2 0 249.314 -0.055 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CCO1 ZINC000834529805 587758961 /nfs/dbraw/zinc/75/89/61/587758961.db2.gz YMPDFDBINBLUKZ-NXEZZACHSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CCO1 ZINC000834529806 587758952 /nfs/dbraw/zinc/75/89/52/587758952.db2.gz YMPDFDBINBLUKZ-UWVGGRQHSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CCO1 ZINC000834529807 587758901 /nfs/dbraw/zinc/75/89/01/587758901.db2.gz YMPDFDBINBLUKZ-VHSXEESVSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CCO1 ZINC000834529808 587758886 /nfs/dbraw/zinc/75/88/86/587758886.db2.gz YMPDFDBINBLUKZ-ZJUUUORDSA-N 2 0 227.308 -0.700 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000834582206 587759876 /nfs/dbraw/zinc/75/98/76/587759876.db2.gz GLJMJVTXMBFLMR-GXSJLCMTSA-N 2 0 229.299 -0.054 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000834582207 587759870 /nfs/dbraw/zinc/75/98/70/587759870.db2.gz GLJMJVTXMBFLMR-KOLCDFICSA-N 2 0 229.299 -0.054 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000834582208 587760016 /nfs/dbraw/zinc/76/00/16/587760016.db2.gz GLJMJVTXMBFLMR-MWLCHTKSSA-N 2 0 229.299 -0.054 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000834582209 587759974 /nfs/dbraw/zinc/75/99/74/587759974.db2.gz GLJMJVTXMBFLMR-ONGXEEELSA-N 2 0 229.299 -0.054 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000834608583 584914209 /nfs/dbraw/zinc/91/42/09/584914209.db2.gz ASBDWPYSIUVIAX-JGVFFNPUSA-N 2 0 237.307 -0.436 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000834608584 584914208 /nfs/dbraw/zinc/91/42/08/584914208.db2.gz ASBDWPYSIUVIAX-YUMQZZPRSA-N 2 0 237.307 -0.436 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834608603 587760584 /nfs/dbraw/zinc/76/05/84/587760584.db2.gz DGHKVXXNPPCPED-LURJTMIESA-N 2 0 223.280 -0.868 20 0 BBADRP COCC1(C(=O)N[C@@H](C)C[NH3+])CC[NH2+]CC1 ZINC000834608803 587760712 /nfs/dbraw/zinc/76/07/12/587760712.db2.gz SQQBAQXHWZTHGU-VIFPVBQESA-N 2 0 229.324 -0.534 20 0 BBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)C[NH3+])C1(C)C ZINC000834608808 584914135 /nfs/dbraw/zinc/91/41/35/584914135.db2.gz TVDBWTJERQOEDI-AUTRQRHGSA-N 2 0 243.351 -0.018 20 0 BBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)C[NH3+])C1(C)C ZINC000834608809 584914181 /nfs/dbraw/zinc/91/41/81/584914181.db2.gz TVDBWTJERQOEDI-HOTUBEGUSA-N 2 0 243.351 -0.018 20 0 BBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)C[NH3+])C1(C)C ZINC000834608810 584914082 /nfs/dbraw/zinc/91/40/82/584914082.db2.gz TVDBWTJERQOEDI-SBMIAAHKSA-N 2 0 243.351 -0.018 20 0 BBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)C[NH3+])C1(C)C ZINC000834608811 584914186 /nfs/dbraw/zinc/91/41/86/584914186.db2.gz TVDBWTJERQOEDI-YGOYTEALSA-N 2 0 243.351 -0.018 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H](C)C[NH3+])CC[NH2+]C1 ZINC000834618749 587761173 /nfs/dbraw/zinc/76/11/73/587761173.db2.gz HCXAPXRDMQUMCE-WCBMZHEXSA-N 2 0 215.297 -0.924 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)C[NH3+])CC[NH2+]C1 ZINC000834618750 587761119 /nfs/dbraw/zinc/76/11/19/587761119.db2.gz HCXAPXRDMQUMCE-WPRPVWTQSA-N 2 0 215.297 -0.924 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000834641455 587762442 /nfs/dbraw/zinc/76/24/42/587762442.db2.gz IIXGZAMITMKBIX-IMSYWVGJSA-N 2 0 211.309 -0.081 20 0 BBADRP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000834641456 587762392 /nfs/dbraw/zinc/76/23/92/587762392.db2.gz IIXGZAMITMKBIX-JLIMGVALSA-N 2 0 211.309 -0.081 20 0 BBADRP CC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000834641458 587762386 /nfs/dbraw/zinc/76/23/86/587762386.db2.gz IIXGZAMITMKBIX-JXUBOQSCSA-N 2 0 211.309 -0.081 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000834641460 587762330 /nfs/dbraw/zinc/76/23/30/587762330.db2.gz IIXGZAMITMKBIX-KYXWUPHJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[N@H+]1C[C@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2C1 ZINC000834656159 587762987 /nfs/dbraw/zinc/76/29/87/587762987.db2.gz JVVFZKTXGTVYLC-AOOOYVTPSA-N 2 0 234.303 -0.028 20 0 BBADRP C[C@H]([NH3+])CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834686736 587763955 /nfs/dbraw/zinc/76/39/55/587763955.db2.gz LTHLGPNWUGNJDS-LURJTMIESA-N 2 0 223.280 -0.868 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834686737 587763996 /nfs/dbraw/zinc/76/39/96/587763996.db2.gz LTHLGPNWUGNJDS-ZCFIWIBFSA-N 2 0 223.280 -0.868 20 0 BBADRP [NH3+][C@@H](CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000834698523 587764415 /nfs/dbraw/zinc/76/44/15/587764415.db2.gz JAQIUGWRJBNPGI-AXFHLTTASA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@H](CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000834698524 587764520 /nfs/dbraw/zinc/76/45/20/587764520.db2.gz JAQIUGWRJBNPGI-OUAUKWLOSA-N 2 0 223.320 -0.208 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000834723162 587764976 /nfs/dbraw/zinc/76/49/76/587764976.db2.gz TYZAAKVCIKBWOW-GHMZBOCLSA-N 2 0 229.299 -0.115 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000834723163 587764840 /nfs/dbraw/zinc/76/48/40/587764840.db2.gz TYZAAKVCIKBWOW-MNOVXSKESA-N 2 0 229.299 -0.115 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000834723164 587765005 /nfs/dbraw/zinc/76/50/05/587765005.db2.gz TYZAAKVCIKBWOW-QWRGUYRKSA-N 2 0 229.299 -0.115 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000834723165 587764859 /nfs/dbraw/zinc/76/48/59/587764859.db2.gz TYZAAKVCIKBWOW-WDEREUQCSA-N 2 0 229.299 -0.115 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000834747361 587765604 /nfs/dbraw/zinc/76/56/04/587765604.db2.gz UEGVJTLGUPTVBA-MAUMQABQSA-N 2 0 215.272 -0.508 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@]1(F)CC[NH2+]C1 ZINC000834791632 587767132 /nfs/dbraw/zinc/76/71/32/587767132.db2.gz PYKKVJYOFYHPET-BXKDBHETSA-N 2 0 241.310 -0.054 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@]1(F)CC[NH2+]C1 ZINC000834791633 587767105 /nfs/dbraw/zinc/76/71/05/587767105.db2.gz PYKKVJYOFYHPET-CABZTGNLSA-N 2 0 241.310 -0.054 20 0 BBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@]1(F)CC[NH2+]C1 ZINC000834791634 587767230 /nfs/dbraw/zinc/76/72/30/587767230.db2.gz PYKKVJYOFYHPET-JOYOIKCWSA-N 2 0 241.310 -0.054 20 0 BBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@]1(F)CC[NH2+]C1 ZINC000834791635 587767272 /nfs/dbraw/zinc/76/72/72/587767272.db2.gz PYKKVJYOFYHPET-SKDRFNHKSA-N 2 0 241.310 -0.054 20 0 BBADRP [NH3+][C@@H](CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000834795616 587767219 /nfs/dbraw/zinc/76/72/19/587767219.db2.gz CUMHWNFZMWYIED-GUBZILKMSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000834795620 587767122 /nfs/dbraw/zinc/76/71/22/587767122.db2.gz CUMHWNFZMWYIED-LPEHRKFASA-N 2 0 229.299 -0.070 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000834796751 587767260 /nfs/dbraw/zinc/76/72/60/587767260.db2.gz OMBATZBPSQJUBE-NRPADANISA-N 2 0 229.299 -0.057 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000834796752 587767089 /nfs/dbraw/zinc/76/70/89/587767089.db2.gz OMBATZBPSQJUBE-WEDXCCLWSA-N 2 0 229.299 -0.057 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000834797331 587767247 /nfs/dbraw/zinc/76/72/47/587767247.db2.gz WBFXMCQDYIGYKZ-NRPADANISA-N 2 0 233.262 -0.496 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000834797332 587767176 /nfs/dbraw/zinc/76/71/76/587767176.db2.gz WBFXMCQDYIGYKZ-OYNCUSHFSA-N 2 0 233.262 -0.496 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834813536 587767433 /nfs/dbraw/zinc/76/74/33/587767433.db2.gz PIFAFJILFRZUGN-PSASIEDQSA-N 2 0 217.288 -0.068 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000834813537 587767459 /nfs/dbraw/zinc/76/74/59/587767459.db2.gz PIFAFJILFRZUGN-SCZZXKLOSA-N 2 0 217.288 -0.068 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834813538 587767480 /nfs/dbraw/zinc/76/74/80/587767480.db2.gz PIFAFJILFRZUGN-WCBMZHEXSA-N 2 0 217.288 -0.068 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000834813539 587767529 /nfs/dbraw/zinc/76/75/29/587767529.db2.gz PIFAFJILFRZUGN-WPRPVWTQSA-N 2 0 217.288 -0.068 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834821681 587767710 /nfs/dbraw/zinc/76/77/10/587767710.db2.gz SAKBWLFENKDZGM-ACLDMZEESA-N 2 0 203.261 -0.460 20 0 BBADRP C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)[C@H](C)[NH3+] ZINC000834821682 587767799 /nfs/dbraw/zinc/76/77/99/587767799.db2.gz SAKBWLFENKDZGM-LKEWCRSYSA-N 2 0 203.261 -0.460 20 0 BBADRP C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@H](C)[NH3+] ZINC000834821683 587767733 /nfs/dbraw/zinc/76/77/33/587767733.db2.gz SAKBWLFENKDZGM-OOZYFLPDSA-N 2 0 203.261 -0.460 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000834821684 587767786 /nfs/dbraw/zinc/76/77/86/587767786.db2.gz SAKBWLFENKDZGM-ZKWXMUAHSA-N 2 0 203.261 -0.460 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834822502 587767719 /nfs/dbraw/zinc/76/77/19/587767719.db2.gz XVRNCJSROYXJFP-BQBZGAKWSA-N 2 0 237.307 -0.479 20 0 BBADRP C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H](C)[NH3+] ZINC000834822503 587767585 /nfs/dbraw/zinc/76/75/85/587767585.db2.gz XVRNCJSROYXJFP-NKWVEPMBSA-N 2 0 237.307 -0.479 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834822504 587767650 /nfs/dbraw/zinc/76/76/50/587767650.db2.gz XVRNCJSROYXJFP-RNFRBKRXSA-N 2 0 237.307 -0.479 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834822505 587767642 /nfs/dbraw/zinc/76/76/42/587767642.db2.gz XVRNCJSROYXJFP-RQJHMYQMSA-N 2 0 237.307 -0.479 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834827156 587767937 /nfs/dbraw/zinc/76/79/37/587767937.db2.gz RGCQNMZWVKLEHY-SSDOTTSWSA-N 2 0 237.307 -0.478 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834827160 587767825 /nfs/dbraw/zinc/76/78/25/587767825.db2.gz RGCQNMZWVKLEHY-ZETCQYMHSA-N 2 0 237.307 -0.478 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000834827686 587768071 /nfs/dbraw/zinc/76/80/71/587768071.db2.gz VGMHPPSSRLSZSM-APPZFPTMSA-N 2 0 203.261 -0.459 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000834827688 587767839 /nfs/dbraw/zinc/76/78/39/587767839.db2.gz VGMHPPSSRLSZSM-CBAPKCEASA-N 2 0 203.261 -0.459 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834827690 587767904 /nfs/dbraw/zinc/76/79/04/587767904.db2.gz VGMHPPSSRLSZSM-IONNQARKSA-N 2 0 203.261 -0.459 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834827691 587767980 /nfs/dbraw/zinc/76/79/80/587767980.db2.gz VGMHPPSSRLSZSM-VXNVDRBHSA-N 2 0 203.261 -0.459 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C(F)F ZINC000834831216 584915227 /nfs/dbraw/zinc/91/52/27/584915227.db2.gz OUTWZSPOZPFZCR-HZGVNTEJSA-N 2 0 239.241 -0.213 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C(F)F ZINC000834831327 584915095 /nfs/dbraw/zinc/91/50/95/584915095.db2.gz OUTWZSPOZPFZCR-IMTBSYHQSA-N 2 0 239.241 -0.213 20 0 BBADRP [NH3+]CC[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)C(F)F ZINC000834831353 584915046 /nfs/dbraw/zinc/91/50/46/584915046.db2.gz OUTWZSPOZPFZCR-MUWHJKNJSA-N 2 0 239.241 -0.213 20 0 BBADRP [NH3+]CC[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)C(F)F ZINC000834831360 584915182 /nfs/dbraw/zinc/91/51/82/584915182.db2.gz OUTWZSPOZPFZCR-RCOVLWMOSA-N 2 0 239.241 -0.213 20 0 BBADRP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC([NH3+])C1 ZINC000834834215 587768187 /nfs/dbraw/zinc/76/81/87/587768187.db2.gz BTQAHVZOTUJHTJ-UHFFFAOYSA-N 2 0 249.318 -0.383 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[NH2+]CCO1 ZINC000834846479 587768495 /nfs/dbraw/zinc/76/84/95/587768495.db2.gz XFGLSMKKAYJSQK-JGVFFNPUSA-N 2 0 249.261 -0.912 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[NH2+]CCO1 ZINC000834846480 587768552 /nfs/dbraw/zinc/76/85/52/587768552.db2.gz XFGLSMKKAYJSQK-YUMQZZPRSA-N 2 0 249.261 -0.912 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000834846488 587768415 /nfs/dbraw/zinc/76/84/15/587768415.db2.gz XNYRGOZBXODIAV-SSDOTTSWSA-N 2 0 237.250 -0.925 20 0 BBADRP [NH3+]CCOCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000834846489 587768579 /nfs/dbraw/zinc/76/85/79/587768579.db2.gz XNYRGOZBXODIAV-ZETCQYMHSA-N 2 0 237.250 -0.925 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000834861301 587768838 /nfs/dbraw/zinc/76/88/38/587768838.db2.gz HZHJDHLVQVOQHB-GXSJLCMTSA-N 2 0 245.298 -0.817 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@]1(F)CC[NH2+]C1 ZINC000834861304 587768784 /nfs/dbraw/zinc/76/87/84/587768784.db2.gz HZHJDHLVQVOQHB-KOLCDFICSA-N 2 0 245.298 -0.817 20 0 BBADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000834861305 587768810 /nfs/dbraw/zinc/76/88/10/587768810.db2.gz HZHJDHLVQVOQHB-MWLCHTKSSA-N 2 0 245.298 -0.817 20 0 BBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@]1(F)CC[NH2+]C1 ZINC000834861307 587768730 /nfs/dbraw/zinc/76/87/30/587768730.db2.gz HZHJDHLVQVOQHB-ONGXEEELSA-N 2 0 245.298 -0.817 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000834861585 587768788 /nfs/dbraw/zinc/76/87/88/587768788.db2.gz KLADBVCMZUPXRG-FXPVBKGRSA-N 2 0 229.299 -0.068 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000834861586 587768822 /nfs/dbraw/zinc/76/88/22/587768822.db2.gz KLADBVCMZUPXRG-KKZNHRDASA-N 2 0 229.299 -0.068 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000834861588 587768901 /nfs/dbraw/zinc/76/89/01/587768901.db2.gz KLADBVCMZUPXRG-WCABBAIRSA-N 2 0 229.299 -0.068 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000834861589 587768798 /nfs/dbraw/zinc/76/87/98/587768798.db2.gz KLADBVCMZUPXRG-YWVKMMECSA-N 2 0 229.299 -0.068 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000834861637 587768746 /nfs/dbraw/zinc/76/87/46/587768746.db2.gz KYVSKPCNXDBIQI-GHMZBOCLSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H](CC(=O)NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000834861638 587768725 /nfs/dbraw/zinc/76/87/25/587768725.db2.gz KYVSKPCNXDBIQI-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H](CC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000834861640 587768751 /nfs/dbraw/zinc/76/87/51/587768751.db2.gz KYVSKPCNXDBIQI-QWRGUYRKSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000834861641 587768724 /nfs/dbraw/zinc/76/87/24/587768724.db2.gz KYVSKPCNXDBIQI-WDEREUQCSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000834864687 587768718 /nfs/dbraw/zinc/76/87/18/587768718.db2.gz BCOFHZBSHJHRSO-MXWKQRLJSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000834864694 587768898 /nfs/dbraw/zinc/76/88/98/587768898.db2.gz BCOFHZBSHJHRSO-VWYCJHECSA-N 2 0 223.320 -0.066 20 0 BBADRP CC(C)([NH3+])CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000834865438 587768773 /nfs/dbraw/zinc/76/87/73/587768773.db2.gz DXLZBJAIZXIQAN-BDAKNGLRSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C(N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@]1(F)CC[NH2+]C1 ZINC000834865564 587768910 /nfs/dbraw/zinc/76/89/10/587768910.db2.gz GAFNZWDAVFKLGT-WCABBAIRSA-N 2 0 227.283 -0.492 20 0 BBADRP O=C(N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@]1(F)CC[NH2+]C1 ZINC000834865569 587768881 /nfs/dbraw/zinc/76/88/81/587768881.db2.gz GAFNZWDAVFKLGT-YWVKMMECSA-N 2 0 227.283 -0.492 20 0 BBADRP C[C@@H](CNC(=S)NCC[NH+](C)C)[NH+](C)C ZINC000840810990 587922735 /nfs/dbraw/zinc/92/27/35/587922735.db2.gz XJCZDMXPRLGEED-VIFPVBQESA-N 2 0 232.397 -0.038 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000841845752 587977469 /nfs/dbraw/zinc/97/74/69/587977469.db2.gz JHWIAQFWSNUKHT-GXSJLCMTSA-N 2 0 229.299 -0.054 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000841845753 587977221 /nfs/dbraw/zinc/97/72/21/587977221.db2.gz JHWIAQFWSNUKHT-KOLCDFICSA-N 2 0 229.299 -0.054 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000841845754 587977351 /nfs/dbraw/zinc/97/73/51/587977351.db2.gz JHWIAQFWSNUKHT-MWLCHTKSSA-N 2 0 229.299 -0.054 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000841845755 587977492 /nfs/dbraw/zinc/97/74/92/587977492.db2.gz JHWIAQFWSNUKHT-ONGXEEELSA-N 2 0 229.299 -0.054 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841849027 587977904 /nfs/dbraw/zinc/97/79/04/587977904.db2.gz MPFCOIROCVAIGA-LLVKDONJSA-N 2 0 229.299 -0.102 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000841849028 587977685 /nfs/dbraw/zinc/97/76/85/587977685.db2.gz MPFCOIROCVAIGA-NSHDSACASA-N 2 0 229.299 -0.102 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000841849497 587978002 /nfs/dbraw/zinc/97/80/02/587978002.db2.gz XYHCPIMXFCIZHG-FXPVBKGRSA-N 2 0 229.299 -0.103 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000841849498 587977959 /nfs/dbraw/zinc/97/79/59/587977959.db2.gz XYHCPIMXFCIZHG-KKZNHRDASA-N 2 0 229.299 -0.103 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000841849499 587977577 /nfs/dbraw/zinc/97/75/77/587977577.db2.gz XYHCPIMXFCIZHG-WCABBAIRSA-N 2 0 229.299 -0.103 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000841849500 587977758 /nfs/dbraw/zinc/97/77/58/587977758.db2.gz XYHCPIMXFCIZHG-YWVKMMECSA-N 2 0 229.299 -0.103 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841851435 587978324 /nfs/dbraw/zinc/97/83/24/587978324.db2.gz QCSHHRVNBFAXFS-ATZCPNFKSA-N 2 0 247.289 -0.154 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000841851446 587978301 /nfs/dbraw/zinc/97/83/01/587978301.db2.gz QCSHHRVNBFAXFS-QXEWZRGKSA-N 2 0 247.289 -0.154 20 0 BBADRP CN(C(=O)CO[C@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000841852705 587978287 /nfs/dbraw/zinc/97/82/87/587978287.db2.gz PADVZLGJZNIZPV-ILDUYXDCSA-N 2 0 241.335 -0.297 20 0 BBADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000841852706 587978558 /nfs/dbraw/zinc/97/85/58/587978558.db2.gz PADVZLGJZNIZPV-VQXHTEKXSA-N 2 0 241.335 -0.297 20 0 BBADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)C1CC([NH3+])C1 ZINC000841852882 583407592 /nfs/dbraw/zinc/40/75/92/583407592.db2.gz RVQNPVVZIOKPMY-KTOWXAHTSA-N 2 0 215.272 -0.364 20 0 BBADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)C1CC([NH3+])C1 ZINC000841852883 583407691 /nfs/dbraw/zinc/40/76/91/583407691.db2.gz RVQNPVVZIOKPMY-SFVIPPHHSA-N 2 0 215.272 -0.364 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841854875 645229645 /nfs/dbraw/zinc/22/96/45/645229645.db2.gz BMLBEVFQVWGFHE-GZMMTYOYSA-N 2 0 229.299 -0.055 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000841854877 645231498 /nfs/dbraw/zinc/23/14/98/645231498.db2.gz BMLBEVFQVWGFHE-KCJUWKMLSA-N 2 0 229.299 -0.055 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000841854880 645231379 /nfs/dbraw/zinc/23/13/79/645231379.db2.gz BMLBEVFQVWGFHE-KWQFWETISA-N 2 0 229.299 -0.055 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841854882 645229803 /nfs/dbraw/zinc/22/98/03/645229803.db2.gz BMLBEVFQVWGFHE-LDYMZIIASA-N 2 0 229.299 -0.055 20 0 BBADRP CC1(C)CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000841855464 645230336 /nfs/dbraw/zinc/23/03/36/645230336.db2.gz GYNXDIUDIHQKQU-LLVKDONJSA-N 2 0 229.299 -0.102 20 0 BBADRP CC1(C)CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000841855469 645230262 /nfs/dbraw/zinc/23/02/62/645230262.db2.gz GYNXDIUDIHQKQU-NSHDSACASA-N 2 0 229.299 -0.102 20 0 BBADRP O=C(N1CCC[C@H]2C[NH2+]C[C@H]21)[C@@]1(F)CC[NH2+]C1 ZINC000841856290 645230667 /nfs/dbraw/zinc/23/06/67/645230667.db2.gz MKWKWEIRIRHCMZ-HOSYDEDBSA-N 2 0 241.310 -0.102 20 0 BBADRP O=C(N1CCC[C@H]2C[NH2+]C[C@H]21)[C@]1(F)CC[NH2+]C1 ZINC000841856293 645231312 /nfs/dbraw/zinc/23/13/12/645231312.db2.gz MKWKWEIRIRHCMZ-UMNHJUIQSA-N 2 0 241.310 -0.102 20 0 BBADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000841857304 645230606 /nfs/dbraw/zinc/23/06/06/645230606.db2.gz TVCJZMWBNDLAAZ-GXSJLCMTSA-N 2 0 229.299 -0.116 20 0 BBADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000841857307 645231238 /nfs/dbraw/zinc/23/12/38/645231238.db2.gz TVCJZMWBNDLAAZ-KOLCDFICSA-N 2 0 229.299 -0.116 20 0 BBADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000841857309 645231024 /nfs/dbraw/zinc/23/10/24/645231024.db2.gz TVCJZMWBNDLAAZ-MWLCHTKSSA-N 2 0 229.299 -0.116 20 0 BBADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000841857312 645230213 /nfs/dbraw/zinc/23/02/13/645230213.db2.gz TVCJZMWBNDLAAZ-ONGXEEELSA-N 2 0 229.299 -0.116 20 0 BBADRP C[NH2+]CCN(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841922357 587985292 /nfs/dbraw/zinc/98/52/92/587985292.db2.gz OOEOTXGGPJXQMW-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH2+]CCN(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841922358 587985314 /nfs/dbraw/zinc/98/53/14/587985314.db2.gz OOEOTXGGPJXQMW-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841922943 587985213 /nfs/dbraw/zinc/98/52/13/587985213.db2.gz VUJYYFUMDQBICV-DTWKUNHWSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841922947 587985540 /nfs/dbraw/zinc/98/55/40/587985540.db2.gz VUJYYFUMDQBICV-IUCAKERBSA-N 2 0 214.313 -0.225 20 0 BBADRP CCCCOC(=O)CC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000842475512 588029581 /nfs/dbraw/zinc/02/95/81/588029581.db2.gz REFPZZUAKFUOJD-JTQLQIEISA-N 2 0 232.324 -0.029 20 0 BBADRP CCCCOC(=O)CC[N@H+](C)C[C@H](O)C[NH3+] ZINC000842475513 588029995 /nfs/dbraw/zinc/02/99/95/588029995.db2.gz REFPZZUAKFUOJD-SNVBAGLBSA-N 2 0 232.324 -0.029 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CCCO1 ZINC000842508389 588032006 /nfs/dbraw/zinc/03/20/06/588032006.db2.gz AICIHJBGMRFISO-GXSJLCMTSA-N 2 0 245.298 -0.736 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CCCO1 ZINC000842508390 588031579 /nfs/dbraw/zinc/03/15/79/588031579.db2.gz AICIHJBGMRFISO-KOLCDFICSA-N 2 0 245.298 -0.736 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CCCO1 ZINC000842508391 588031943 /nfs/dbraw/zinc/03/19/43/588031943.db2.gz AICIHJBGMRFISO-MWLCHTKSSA-N 2 0 245.298 -0.736 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CCCO1 ZINC000842508392 588031592 /nfs/dbraw/zinc/03/15/92/588031592.db2.gz AICIHJBGMRFISO-ONGXEEELSA-N 2 0 245.298 -0.736 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000842509326 588031881 /nfs/dbraw/zinc/03/18/81/588031881.db2.gz IJWNIMPLSIVEAJ-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CC(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000842509327 588031723 /nfs/dbraw/zinc/03/17/23/588031723.db2.gz IJWNIMPLSIVEAJ-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000842509328 588031864 /nfs/dbraw/zinc/03/18/64/588031864.db2.gz IJWNIMPLSIVEAJ-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CC(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000842509329 588031838 /nfs/dbraw/zinc/03/18/38/588031838.db2.gz IJWNIMPLSIVEAJ-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]CCCCCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000842509469 588031974 /nfs/dbraw/zinc/03/19/74/588031974.db2.gz KGTZDJVOUUYYNP-JTQLQIEISA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+]CCCCCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842509471 588031853 /nfs/dbraw/zinc/03/18/53/588031853.db2.gz KGTZDJVOUUYYNP-SNVBAGLBSA-N 2 0 229.324 -0.390 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000842509544 588031934 /nfs/dbraw/zinc/03/19/34/588031934.db2.gz CWLLHHMQSMYSKD-NRPADANISA-N 2 0 215.272 -0.364 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000842509545 588031669 /nfs/dbraw/zinc/03/16/69/588031669.db2.gz CWLLHHMQSMYSKD-OYNCUSHFSA-N 2 0 215.272 -0.364 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CCCO1 ZINC000842510786 588032461 /nfs/dbraw/zinc/03/24/61/588032461.db2.gz VLTGQGXXIPOMBP-GHMZBOCLSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CCCO1 ZINC000842510787 588032475 /nfs/dbraw/zinc/03/24/75/588032475.db2.gz VLTGQGXXIPOMBP-MNOVXSKESA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CCCO1 ZINC000842510788 588032292 /nfs/dbraw/zinc/03/22/92/588032292.db2.gz VLTGQGXXIPOMBP-QWRGUYRKSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CCCO1 ZINC000842510789 588031847 /nfs/dbraw/zinc/03/18/47/588031847.db2.gz VLTGQGXXIPOMBP-WDEREUQCSA-N 2 0 241.335 -0.310 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511169 584898142 /nfs/dbraw/zinc/89/81/42/584898142.db2.gz BFWILNIKCCEWDS-CMPLNLGQSA-N 2 0 239.319 -0.671 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000842511175 588032242 /nfs/dbraw/zinc/03/22/42/588032242.db2.gz WTGWNLGSYRERJK-JTQLQIEISA-N 2 0 217.288 -0.244 20 0 BBADRP C[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000842511177 588032055 /nfs/dbraw/zinc/03/20/55/588032055.db2.gz WTGWNLGSYRERJK-SNVBAGLBSA-N 2 0 217.288 -0.244 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511189 584898202 /nfs/dbraw/zinc/89/82/02/584898202.db2.gz BFWILNIKCCEWDS-JQWIXIFHSA-N 2 0 239.319 -0.671 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511341 588032370 /nfs/dbraw/zinc/03/23/70/588032370.db2.gz CGLDTVZIZVAUQI-LLVKDONJSA-N 2 0 227.308 -0.684 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511344 588032219 /nfs/dbraw/zinc/03/22/19/588032219.db2.gz CGLDTVZIZVAUQI-NSHDSACASA-N 2 0 227.308 -0.684 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842513969 588032457 /nfs/dbraw/zinc/03/24/57/588032457.db2.gz UJDJYECLYNUTID-CMPLNLGQSA-N 2 0 241.335 -0.295 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842513970 588032229 /nfs/dbraw/zinc/03/22/29/588032229.db2.gz UJDJYECLYNUTID-JQWIXIFHSA-N 2 0 241.335 -0.295 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842513971 588032076 /nfs/dbraw/zinc/03/20/76/588032076.db2.gz UJDJYECLYNUTID-PWSUYJOCSA-N 2 0 241.335 -0.295 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842513972 584898153 /nfs/dbraw/zinc/89/81/53/584898153.db2.gz UJDJYECLYNUTID-ZYHUDNBSSA-N 2 0 241.335 -0.295 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842514649 588032277 /nfs/dbraw/zinc/03/22/77/588032277.db2.gz ZPXDYBJFRPUZGJ-GFCCVEGCSA-N 2 0 241.335 -0.423 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842514654 588032414 /nfs/dbraw/zinc/03/24/14/588032414.db2.gz ZPXDYBJFRPUZGJ-LBPRGKRZSA-N 2 0 241.335 -0.423 20 0 BBADRP C[NH2+]C[C@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000843080363 588079932 /nfs/dbraw/zinc/07/99/32/588079932.db2.gz HWTNJVSGSWOKKU-JTQLQIEISA-N 2 0 216.325 -0.149 20 0 BBADRP C[NH2+]C[C@@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000843080364 588079956 /nfs/dbraw/zinc/07/99/56/588079956.db2.gz HWTNJVSGSWOKKU-SNVBAGLBSA-N 2 0 216.325 -0.149 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843270884 588096461 /nfs/dbraw/zinc/09/64/61/588096461.db2.gz AVFSBCXLKPQUGH-GHMZBOCLSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843270886 588096612 /nfs/dbraw/zinc/09/66/12/588096612.db2.gz AVFSBCXLKPQUGH-MNOVXSKESA-N 2 0 241.335 -0.295 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000843281282 645278389 /nfs/dbraw/zinc/27/83/89/645278389.db2.gz PNCSJDXWEPDTFY-LLVKDONJSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000843281284 645277853 /nfs/dbraw/zinc/27/78/53/645277853.db2.gz PNCSJDXWEPDTFY-NSHDSACASA-N 2 0 241.335 -0.377 20 0 BBADRP CC[NH2+]CC(=O)NCCCN1CC[NH2+]CC1 ZINC000843285406 583123607 /nfs/dbraw/zinc/12/36/07/583123607.db2.gz JJDGJRCJHJKCGR-UHFFFAOYSA-N 2 0 228.340 -0.993 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000843289215 588097832 /nfs/dbraw/zinc/09/78/32/588097832.db2.gz NJCDBMMZPIJISC-JTQLQIEISA-N 2 0 227.308 -0.813 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000843289216 588097783 /nfs/dbraw/zinc/09/77/83/588097783.db2.gz NJCDBMMZPIJISC-SNVBAGLBSA-N 2 0 227.308 -0.813 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843291247 588097976 /nfs/dbraw/zinc/09/79/76/588097976.db2.gz GJCLKOGPZMQBEB-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843291248 588097808 /nfs/dbraw/zinc/09/78/08/588097808.db2.gz GJCLKOGPZMQBEB-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843293713 588098443 /nfs/dbraw/zinc/09/84/43/588098443.db2.gz USPOMABNXZHESI-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843293714 588098329 /nfs/dbraw/zinc/09/83/29/588098329.db2.gz USPOMABNXZHESI-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843293966 588098348 /nfs/dbraw/zinc/09/83/48/588098348.db2.gz USPOMABNXZHESI-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843293967 588098166 /nfs/dbraw/zinc/09/81/66/588098166.db2.gz USPOMABNXZHESI-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000843295397 588098258 /nfs/dbraw/zinc/09/82/58/588098258.db2.gz WMKXXQPZNFXBPF-LLVKDONJSA-N 2 0 241.335 -0.423 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000843295398 588098130 /nfs/dbraw/zinc/09/81/30/588098130.db2.gz WMKXXQPZNFXBPF-NSHDSACASA-N 2 0 241.335 -0.423 20 0 BBADRP C[NH2+]CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843303164 588098572 /nfs/dbraw/zinc/09/85/72/588098572.db2.gz LETGOECTKDYMJS-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP C[NH2+]CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843303165 588098681 /nfs/dbraw/zinc/09/86/81/588098681.db2.gz LETGOECTKDYMJS-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000843303172 588098561 /nfs/dbraw/zinc/09/85/61/588098561.db2.gz AMINZVPBGBCPHN-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000843303173 588098728 /nfs/dbraw/zinc/09/87/28/588098728.db2.gz AMINZVPBGBCPHN-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000843303174 588098721 /nfs/dbraw/zinc/09/87/21/588098721.db2.gz AMINZVPBGBCPHN-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000843303175 588098673 /nfs/dbraw/zinc/09/86/73/588098673.db2.gz AMINZVPBGBCPHN-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP CC[NH2+]CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843308510 588099108 /nfs/dbraw/zinc/09/91/08/588099108.db2.gz RUEFWCMTYIPVEE-LLVKDONJSA-N 2 0 243.351 -0.129 20 0 BBADRP CC[NH2+]CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843308511 588099117 /nfs/dbraw/zinc/09/91/17/588099117.db2.gz RUEFWCMTYIPVEE-NSHDSACASA-N 2 0 243.351 -0.129 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000843314576 588099425 /nfs/dbraw/zinc/09/94/25/588099425.db2.gz JKJRCBASIAUKIM-NXEZZACHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000843314578 588099182 /nfs/dbraw/zinc/09/91/82/588099182.db2.gz JKJRCBASIAUKIM-UWVGGRQHSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000843314579 588099354 /nfs/dbraw/zinc/09/93/54/588099354.db2.gz JKJRCBASIAUKIM-VHSXEESVSA-N 2 0 227.308 -0.767 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000843314580 588099205 /nfs/dbraw/zinc/09/92/05/588099205.db2.gz JKJRCBASIAUKIM-ZJUUUORDSA-N 2 0 227.308 -0.767 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843321610 645280730 /nfs/dbraw/zinc/28/07/30/645280730.db2.gz JPXXLXMIWDVSCX-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843321611 645281317 /nfs/dbraw/zinc/28/13/17/645281317.db2.gz JPXXLXMIWDVSCX-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843321612 645281021 /nfs/dbraw/zinc/28/10/21/645281021.db2.gz JPXXLXMIWDVSCX-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843321613 645280298 /nfs/dbraw/zinc/28/02/98/645280298.db2.gz JPXXLXMIWDVSCX-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000843322442 645282066 /nfs/dbraw/zinc/28/20/66/645282066.db2.gz IRCFOVNTZPCUAN-DBIOUOCHSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000843322444 645283075 /nfs/dbraw/zinc/28/30/75/645283075.db2.gz IRCFOVNTZPCUAN-ZDCRXTMVSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000843322833 645282331 /nfs/dbraw/zinc/28/23/31/645282331.db2.gz MDILFMJZCGZEQH-UKKRHICBSA-N 2 0 223.320 -0.351 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000843322835 645283191 /nfs/dbraw/zinc/28/31/91/645283191.db2.gz MDILFMJZCGZEQH-ZNSHCXBVSA-N 2 0 223.320 -0.351 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000843325123 645282714 /nfs/dbraw/zinc/28/27/14/645282714.db2.gz GJCLKOGPZMQBEB-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000843325124 645282894 /nfs/dbraw/zinc/28/28/94/645282894.db2.gz GJCLKOGPZMQBEB-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843330990 588099981 /nfs/dbraw/zinc/09/99/81/588099981.db2.gz ZQFVWXYACQCNOS-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843330991 588100264 /nfs/dbraw/zinc/10/02/64/588100264.db2.gz ZQFVWXYACQCNOS-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[NH2+]CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843333656 588100651 /nfs/dbraw/zinc/10/06/51/588100651.db2.gz WRMJDAHRAMKIMO-JTQLQIEISA-N 2 0 229.324 -0.519 20 0 BBADRP CC[NH2+]CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843333657 588100560 /nfs/dbraw/zinc/10/05/60/588100560.db2.gz WRMJDAHRAMKIMO-SNVBAGLBSA-N 2 0 229.324 -0.519 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000843335400 588100703 /nfs/dbraw/zinc/10/07/03/588100703.db2.gz MYGBAGIPFFREBN-GHMZBOCLSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000843335402 588100524 /nfs/dbraw/zinc/10/05/24/588100524.db2.gz MYGBAGIPFFREBN-MNOVXSKESA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000843335405 588100553 /nfs/dbraw/zinc/10/05/53/588100553.db2.gz MYGBAGIPFFREBN-QWRGUYRKSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000843335408 588100746 /nfs/dbraw/zinc/10/07/46/588100746.db2.gz MYGBAGIPFFREBN-WDEREUQCSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000843336015 588100468 /nfs/dbraw/zinc/10/04/68/588100468.db2.gz SMXCPSJLSZIEGU-LLVKDONJSA-N 2 0 241.335 -0.377 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000843336016 588100630 /nfs/dbraw/zinc/10/06/30/588100630.db2.gz SMXCPSJLSZIEGU-NSHDSACASA-N 2 0 241.335 -0.377 20 0 BBADRP CC(C)(C[NH3+])NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843337002 588100574 /nfs/dbraw/zinc/10/05/74/588100574.db2.gz SERPSBMDGUPQOG-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)(C[NH3+])NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843337003 588100777 /nfs/dbraw/zinc/10/07/77/588100777.db2.gz SERPSBMDGUPQOG-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843340072 588101190 /nfs/dbraw/zinc/10/11/90/588101190.db2.gz MPKUVRLCPYYHRQ-KKOKHZNYSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843340073 588100863 /nfs/dbraw/zinc/10/08/63/588100863.db2.gz MPKUVRLCPYYHRQ-KXNHARMFSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843340074 588100917 /nfs/dbraw/zinc/10/09/17/588100917.db2.gz MPKUVRLCPYYHRQ-QCNOEVLYSA-N 2 0 228.336 -0.029 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843340075 588100881 /nfs/dbraw/zinc/10/08/81/588100881.db2.gz MPKUVRLCPYYHRQ-YFKTTZPYSA-N 2 0 228.336 -0.029 20 0 BBADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000843343469 588101596 /nfs/dbraw/zinc/10/15/96/588101596.db2.gz XGXCZAOXVFWONG-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000843343472 588101248 /nfs/dbraw/zinc/10/12/48/588101248.db2.gz XGXCZAOXVFWONG-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000843343473 588101609 /nfs/dbraw/zinc/10/16/09/588101609.db2.gz XGXCZAOXVFWONG-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000843343474 588101543 /nfs/dbraw/zinc/10/15/43/588101543.db2.gz XGXCZAOXVFWONG-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000843344191 588101781 /nfs/dbraw/zinc/10/17/81/588101781.db2.gz UITDSNTYWRPRDU-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000843344192 588101903 /nfs/dbraw/zinc/10/19/03/588101903.db2.gz UITDSNTYWRPRDU-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000843344193 588101973 /nfs/dbraw/zinc/10/19/73/588101973.db2.gz UITDSNTYWRPRDU-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000843344194 588102107 /nfs/dbraw/zinc/10/21/07/588102107.db2.gz UITDSNTYWRPRDU-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843344690 588102124 /nfs/dbraw/zinc/10/21/24/588102124.db2.gz QWOSEEJNUGIVHU-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843344691 588101997 /nfs/dbraw/zinc/10/19/97/588101997.db2.gz QWOSEEJNUGIVHU-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843344692 588101798 /nfs/dbraw/zinc/10/17/98/588101798.db2.gz QWOSEEJNUGIVHU-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843344693 588101968 /nfs/dbraw/zinc/10/19/68/588101968.db2.gz QWOSEEJNUGIVHU-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843346763 588102111 /nfs/dbraw/zinc/10/21/11/588102111.db2.gz NQRBUIQHARSGKA-GHMZBOCLSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843346764 588102028 /nfs/dbraw/zinc/10/20/28/588102028.db2.gz NQRBUIQHARSGKA-MNOVXSKESA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843346765 588102023 /nfs/dbraw/zinc/10/20/23/588102023.db2.gz NQRBUIQHARSGKA-QWRGUYRKSA-N 2 0 243.351 -0.146 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843346766 588102020 /nfs/dbraw/zinc/10/20/20/588102020.db2.gz NQRBUIQHARSGKA-WDEREUQCSA-N 2 0 243.351 -0.146 20 0 BBADRP CN(CCC[NH3+])C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843348376 588102809 /nfs/dbraw/zinc/10/28/09/588102809.db2.gz LNYMFKKTVQDXCW-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CN(CCC[NH3+])C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843348377 588102518 /nfs/dbraw/zinc/10/25/18/588102518.db2.gz LNYMFKKTVQDXCW-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP [NH3+]C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000843348485 588102797 /nfs/dbraw/zinc/10/27/97/588102797.db2.gz HINYCDXHJUJKFA-GHMZBOCLSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000843348486 588102771 /nfs/dbraw/zinc/10/27/71/588102771.db2.gz HINYCDXHJUJKFA-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000843348487 588102224 /nfs/dbraw/zinc/10/22/24/588102224.db2.gz HINYCDXHJUJKFA-QWRGUYRKSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000843348488 588102514 /nfs/dbraw/zinc/10/25/14/588102514.db2.gz HINYCDXHJUJKFA-WDEREUQCSA-N 2 0 241.335 -0.392 20 0 BBADRP CC(C)([NH3+])CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843351967 588102380 /nfs/dbraw/zinc/10/23/80/588102380.db2.gz MKVFKLQNMRWEBF-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC(C)([NH3+])CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843351968 588102319 /nfs/dbraw/zinc/10/23/19/588102319.db2.gz MKVFKLQNMRWEBF-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP C[N@H+](CCNS(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000843355464 588102962 /nfs/dbraw/zinc/10/29/62/588102962.db2.gz QNZMIAKIRFSRPV-UHFFFAOYSA-N 2 0 249.380 -0.263 20 0 BBADRP C(CN1CC[NH2+]CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000843389964 645288545 /nfs/dbraw/zinc/28/85/45/645288545.db2.gz DYNUWIGJLINTDS-CYBMUJFWSA-N 2 0 238.379 -0.281 20 0 BBADRP C(CN1CC[NH2+]CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843389965 645289385 /nfs/dbraw/zinc/28/93/85/645289385.db2.gz DYNUWIGJLINTDS-ZDUSSCGKSA-N 2 0 238.379 -0.281 20 0 BBADRP [NH3+]CCOCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000843390068 645288003 /nfs/dbraw/zinc/28/80/03/645288003.db2.gz IOEJOZUPSNQEKT-LLVKDONJSA-N 2 0 213.325 -0.210 20 0 BBADRP [NH3+]CCOCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843390069 645289151 /nfs/dbraw/zinc/28/91/51/645289151.db2.gz IOEJOZUPSNQEKT-NSHDSACASA-N 2 0 213.325 -0.210 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843391718 645288690 /nfs/dbraw/zinc/28/86/90/645288690.db2.gz VYZSBOJFQHDXFY-ZJUUUORDSA-N 2 0 243.307 -0.608 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843451583 588111413 /nfs/dbraw/zinc/11/14/13/588111413.db2.gz UGGIEHLMJUXYEY-NXEZZACHSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843451584 588111546 /nfs/dbraw/zinc/11/15/46/588111546.db2.gz UGGIEHLMJUXYEY-UWVGGRQHSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843451585 588111368 /nfs/dbraw/zinc/11/13/68/588111368.db2.gz UGGIEHLMJUXYEY-VHSXEESVSA-N 2 0 229.324 -0.534 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843451586 588111266 /nfs/dbraw/zinc/11/12/66/588111266.db2.gz UGGIEHLMJUXYEY-ZJUUUORDSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]CCN(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843452893 588112075 /nfs/dbraw/zinc/11/20/75/588112075.db2.gz SHVRGVHXYDSOMU-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP C[NH2+]CCN(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843452894 588111694 /nfs/dbraw/zinc/11/16/94/588111694.db2.gz SHVRGVHXYDSOMU-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP [NH3+][C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000843453004 588112120 /nfs/dbraw/zinc/11/21/20/588112120.db2.gz LFVZFCMTAMBHFA-GHMZBOCLSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000843453006 588111943 /nfs/dbraw/zinc/11/19/43/588111943.db2.gz LFVZFCMTAMBHFA-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000843453007 588111343 /nfs/dbraw/zinc/11/13/43/588111343.db2.gz LFVZFCMTAMBHFA-QWRGUYRKSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000843453009 582557379 /nfs/dbraw/zinc/55/73/79/582557379.db2.gz LFVZFCMTAMBHFA-WDEREUQCSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+]C1(CNC(=O)CO[C@H]2CCC[NH2+]C2)CCC1 ZINC000843453915 588111750 /nfs/dbraw/zinc/11/17/50/588111750.db2.gz LWYMTIQGPKHRLX-JTQLQIEISA-N 2 0 241.335 -0.247 20 0 BBADRP [NH3+]C1(CNC(=O)CO[C@@H]2CCC[NH2+]C2)CCC1 ZINC000843453916 588112006 /nfs/dbraw/zinc/11/20/06/588112006.db2.gz LWYMTIQGPKHRLX-SNVBAGLBSA-N 2 0 241.335 -0.247 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843455372 588111733 /nfs/dbraw/zinc/11/17/33/588111733.db2.gz NNJLVFZPZGIFBK-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843455373 588112122 /nfs/dbraw/zinc/11/21/22/588112122.db2.gz NNJLVFZPZGIFBK-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843455374 588112098 /nfs/dbraw/zinc/11/20/98/588112098.db2.gz NNJLVFZPZGIFBK-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843455375 588112118 /nfs/dbraw/zinc/11/21/18/588112118.db2.gz NNJLVFZPZGIFBK-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)C[NH3+] ZINC000843471583 588113421 /nfs/dbraw/zinc/11/34/21/588113421.db2.gz LCZYAXXBLKGTOB-UHFFFAOYSA-N 2 0 236.275 -0.728 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843472984 588113619 /nfs/dbraw/zinc/11/36/19/588113619.db2.gz FCAYGKAHLJPJHT-GFCCVEGCSA-N 2 0 241.335 -0.436 20 0 BBADRP [NH3+]CCOCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843472987 588113394 /nfs/dbraw/zinc/11/33/94/588113394.db2.gz FCAYGKAHLJPJHT-LBPRGKRZSA-N 2 0 241.335 -0.436 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843474882 588114195 /nfs/dbraw/zinc/11/41/95/588114195.db2.gz YDPVOYFGRQYXEL-GHMZBOCLSA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843474884 588114084 /nfs/dbraw/zinc/11/40/84/588114084.db2.gz YDPVOYFGRQYXEL-MNOVXSKESA-N 2 0 243.351 -0.131 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843478592 588114079 /nfs/dbraw/zinc/11/40/79/588114079.db2.gz WXROZUVNONONBI-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843478593 588114056 /nfs/dbraw/zinc/11/40/56/588114056.db2.gz WXROZUVNONONBI-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP CC[NH2+]CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843480723 588114381 /nfs/dbraw/zinc/11/43/81/588114381.db2.gz KTSBXNZOROKYHE-LLVKDONJSA-N 2 0 240.351 -0.898 20 0 BBADRP CC[NH2+]CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843480726 588114407 /nfs/dbraw/zinc/11/44/07/588114407.db2.gz KTSBXNZOROKYHE-NSHDSACASA-N 2 0 240.351 -0.898 20 0 BBADRP [NH3+]CCOCC(=O)N1CCNC[C@H]1C(F)F ZINC000843481351 588111878 /nfs/dbraw/zinc/11/18/78/588111878.db2.gz SRJJXYXHBKPQAV-ZETCQYMHSA-N 2 0 237.250 -0.973 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483041 588114466 /nfs/dbraw/zinc/11/44/66/588114466.db2.gz BXNBERDPVPIRIW-KXUCPTDWSA-N 2 0 223.320 -0.195 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483045 588114562 /nfs/dbraw/zinc/11/45/62/588114562.db2.gz BXNBERDPVPIRIW-UTLUCORTSA-N 2 0 223.320 -0.195 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483550 588114268 /nfs/dbraw/zinc/11/42/68/588114268.db2.gz CVKRSPXLOHYPED-UYXSQOIJSA-N 2 0 245.273 -0.435 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483551 588114424 /nfs/dbraw/zinc/11/44/24/588114424.db2.gz CVKRSPXLOHYPED-XAVMHZPKSA-N 2 0 245.273 -0.435 20 0 BBADRP CC[NH2+]CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000843483558 588114468 /nfs/dbraw/zinc/11/44/68/588114468.db2.gz DPOTUNCURZHSKR-SECBINFHSA-N 2 0 215.297 -0.909 20 0 BBADRP CC[NH2+]CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000843483559 588114641 /nfs/dbraw/zinc/11/46/41/588114641.db2.gz DPOTUNCURZHSKR-VIFPVBQESA-N 2 0 215.297 -0.909 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843483726 588114656 /nfs/dbraw/zinc/11/46/56/588114656.db2.gz XHVIGZKECHSQAJ-GHMZBOCLSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843483728 588114434 /nfs/dbraw/zinc/11/44/34/588114434.db2.gz XHVIGZKECHSQAJ-MNOVXSKESA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843483729 588114440 /nfs/dbraw/zinc/11/44/40/588114440.db2.gz XHVIGZKECHSQAJ-QWRGUYRKSA-N 2 0 243.351 -0.001 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843483731 588114645 /nfs/dbraw/zinc/11/46/45/588114645.db2.gz XHVIGZKECHSQAJ-WDEREUQCSA-N 2 0 243.351 -0.001 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843484271 588114301 /nfs/dbraw/zinc/11/43/01/588114301.db2.gz QFSCONYHXSIIQH-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843484273 588114428 /nfs/dbraw/zinc/11/44/28/588114428.db2.gz QFSCONYHXSIIQH-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843484277 588114616 /nfs/dbraw/zinc/11/46/16/588114616.db2.gz QFSCONYHXSIIQH-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843484476 588114395 /nfs/dbraw/zinc/11/43/95/588114395.db2.gz QFSCONYHXSIIQH-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP CC[NH2+]CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000843484544 588114326 /nfs/dbraw/zinc/11/43/26/588114326.db2.gz SODAVVACQMUETA-LURJTMIESA-N 2 0 209.240 -0.305 20 0 BBADRP CC[NH2+]CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000843484545 588114349 /nfs/dbraw/zinc/11/43/49/588114349.db2.gz SODAVVACQMUETA-ZCFIWIBFSA-N 2 0 209.240 -0.305 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843485144 588114286 /nfs/dbraw/zinc/11/42/86/588114286.db2.gz OFATWSLKJCTPEZ-UVOCVTCTSA-N 2 0 221.304 -0.728 20 0 BBADRP CC[NH2+]CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000843485768 588114448 /nfs/dbraw/zinc/11/44/48/588114448.db2.gz XNMRPKQDAVDGRW-SSDOTTSWSA-N 2 0 221.251 -0.291 20 0 BBADRP CC[NH2+]CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000843485789 588114390 /nfs/dbraw/zinc/11/43/90/588114390.db2.gz XNMRPKQDAVDGRW-ZETCQYMHSA-N 2 0 221.251 -0.291 20 0 BBADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843486175 588114845 /nfs/dbraw/zinc/11/48/45/588114845.db2.gz YNZLIGUYILIFDH-HXFLIBJXSA-N 2 0 245.273 -0.150 20 0 BBADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843486176 588114756 /nfs/dbraw/zinc/11/47/56/588114756.db2.gz YNZLIGUYILIFDH-LURQLKTLSA-N 2 0 245.273 -0.150 20 0 BBADRP C[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000843488292 588115146 /nfs/dbraw/zinc/11/51/46/588115146.db2.gz YWBZLATVGRPRLD-AEJSXWLSSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843488293 588115091 /nfs/dbraw/zinc/11/50/91/588115091.db2.gz YWBZLATVGRPRLD-GUBZILKMSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000843488294 588115008 /nfs/dbraw/zinc/11/50/08/588115008.db2.gz YWBZLATVGRPRLD-IVZWLZJFSA-N 2 0 229.324 -0.393 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843488295 588114958 /nfs/dbraw/zinc/11/49/58/588114958.db2.gz YWBZLATVGRPRLD-LPEHRKFASA-N 2 0 229.324 -0.393 20 0 BBADRP CC[NH2+]CC(=O)N(C)CCN1CCOCC1 ZINC000843488452 588114935 /nfs/dbraw/zinc/11/49/35/588114935.db2.gz ALJYQPCBFMBYHX-UHFFFAOYSA-N 2 0 229.324 -0.614 20 0 BBADRP C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000843497102 588116473 /nfs/dbraw/zinc/11/64/73/588116473.db2.gz FKVZIKBXBYCAJI-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000843497105 588115487 /nfs/dbraw/zinc/11/54/87/588115487.db2.gz FKVZIKBXBYCAJI-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843497595 588116251 /nfs/dbraw/zinc/11/62/51/588116251.db2.gz HXBIXKBXBOFEPF-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843497596 588116149 /nfs/dbraw/zinc/11/61/49/588116149.db2.gz HXBIXKBXBOFEPF-DCAQKATOSA-N 2 0 241.335 -0.297 20 0 BBADRP CN(CC[NH3+])C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843499263 588116466 /nfs/dbraw/zinc/11/64/66/588116466.db2.gz XWFRFCWKWXKDFO-SECBINFHSA-N 2 0 215.297 -0.828 20 0 BBADRP CN(CC[NH3+])C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843499266 588116356 /nfs/dbraw/zinc/11/63/56/588116356.db2.gz XWFRFCWKWXKDFO-VIFPVBQESA-N 2 0 215.297 -0.828 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000843500979 588116695 /nfs/dbraw/zinc/11/66/95/588116695.db2.gz FUZZMTDPYVKRME-MPPDQPJWSA-N 2 0 235.331 -0.194 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843500980 588116749 /nfs/dbraw/zinc/11/67/49/588116749.db2.gz FUZZMTDPYVKRME-WGBDABJCSA-N 2 0 235.331 -0.194 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000843501377 588116993 /nfs/dbraw/zinc/11/69/93/588116993.db2.gz JJCNDIVYXBIRPA-JTQLQIEISA-N 2 0 217.288 -0.068 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843501378 588116769 /nfs/dbraw/zinc/11/67/69/588116769.db2.gz JJCNDIVYXBIRPA-SNVBAGLBSA-N 2 0 217.288 -0.068 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843501403 588116948 /nfs/dbraw/zinc/11/69/48/588116948.db2.gz KBRPOVUIXYLCBC-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843501404 588116907 /nfs/dbraw/zinc/11/69/07/588116907.db2.gz KBRPOVUIXYLCBC-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP C[NH2+]CCCN(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843501559 588116947 /nfs/dbraw/zinc/11/69/47/588116947.db2.gz MOKRYKSFONXVCV-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCCN(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843501560 588116850 /nfs/dbraw/zinc/11/68/50/588116850.db2.gz MOKRYKSFONXVCV-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH2+]CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000843501864 588116985 /nfs/dbraw/zinc/11/69/85/588116985.db2.gz ROJSEJNOBSWKRK-UHFFFAOYSA-N 2 0 211.309 -0.050 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000843502999 588116720 /nfs/dbraw/zinc/11/67/20/588116720.db2.gz IJOXFKRQIGWMGX-NRPADANISA-N 2 0 217.288 -0.070 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843503000 588116842 /nfs/dbraw/zinc/11/68/42/588116842.db2.gz IJOXFKRQIGWMGX-OYNCUSHFSA-N 2 0 217.288 -0.070 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843503001 588116924 /nfs/dbraw/zinc/11/69/24/588116924.db2.gz IJOXFKRQIGWMGX-QXFUBDJGSA-N 2 0 217.288 -0.070 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000843503002 588116705 /nfs/dbraw/zinc/11/67/05/588116705.db2.gz IJOXFKRQIGWMGX-XKSSXDPKSA-N 2 0 217.288 -0.070 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843505594 588117091 /nfs/dbraw/zinc/11/70/91/588117091.db2.gz VVKOHMUFPVXTCT-AXFHLTTASA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843505596 588117189 /nfs/dbraw/zinc/11/71/89/588117189.db2.gz VVKOHMUFPVXTCT-DCAQKATOSA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843505598 588117243 /nfs/dbraw/zinc/11/72/43/588117243.db2.gz VVKOHMUFPVXTCT-GARJFASQSA-N 2 0 243.351 -0.003 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843505599 588117166 /nfs/dbraw/zinc/11/71/66/588117166.db2.gz VVKOHMUFPVXTCT-HBNTYKKESA-N 2 0 243.351 -0.003 20 0 BBADRP [NH3+]CCCCCCNC(=O)COCC[NH3+] ZINC000843506663 645293704 /nfs/dbraw/zinc/29/37/04/645293704.db2.gz YZYUTLVSGCNRAJ-UHFFFAOYSA-N 2 0 217.313 -0.403 20 0 BBADRP [NH3+]CCCCCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000843506714 645293981 /nfs/dbraw/zinc/29/39/81/645293981.db2.gz ZYUKMWJIMIFJDK-JTQLQIEISA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+]CCCCCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000843506717 645294201 /nfs/dbraw/zinc/29/42/01/645294201.db2.gz ZYUKMWJIMIFJDK-SNVBAGLBSA-N 2 0 229.324 -0.390 20 0 BBADRP O=C(NCCC[NH2+]C1CC1)[C@@]1(F)CC[NH2+]C1 ZINC000843512649 588118212 /nfs/dbraw/zinc/11/82/12/588118212.db2.gz LKBRSUVTBIRWJW-LLVKDONJSA-N 2 0 229.299 -0.054 20 0 BBADRP O=C(NCCC[NH2+]C1CC1)[C@]1(F)CC[NH2+]C1 ZINC000843512650 588118122 /nfs/dbraw/zinc/11/81/22/588118122.db2.gz LKBRSUVTBIRWJW-NSHDSACASA-N 2 0 229.299 -0.054 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)NCCCCCC[NH3+] ZINC000843512851 588118040 /nfs/dbraw/zinc/11/80/40/588118040.db2.gz SFHJMWXYPTYGGT-JTQLQIEISA-N 2 0 231.340 -0.015 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)NCCCCCC[NH3+] ZINC000843512853 588118191 /nfs/dbraw/zinc/11/81/91/588118191.db2.gz SFHJMWXYPTYGGT-SNVBAGLBSA-N 2 0 231.340 -0.015 20 0 BBADRP COC[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843512893 588117952 /nfs/dbraw/zinc/11/79/52/588117952.db2.gz UCNDTVIHQLELMM-VIFPVBQESA-N 2 0 217.313 -0.405 20 0 BBADRP C[NH+](C)CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844165726 588171458 /nfs/dbraw/zinc/17/14/58/588171458.db2.gz UDPZKQHKDMUPLT-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH+](C)CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844165727 588171681 /nfs/dbraw/zinc/17/16/81/588171681.db2.gz UDPZKQHKDMUPLT-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH2+]CC(=O)NCCCC[NH+]1CCOCC1 ZINC000844170216 588171718 /nfs/dbraw/zinc/17/17/18/588171718.db2.gz KRRXSYWFPRFSJI-UHFFFAOYSA-N 2 0 243.351 -0.176 20 0 BBADRP CC[NH2+]CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000844172640 588171987 /nfs/dbraw/zinc/17/19/87/588171987.db2.gz VHFZQTCERSIDNG-UHFFFAOYSA-N 2 0 243.351 -0.441 20 0 BBADRP CC[NH2+]CC(=O)NCCC[N@H+](C)CCOC ZINC000844172712 588172492 /nfs/dbraw/zinc/17/24/92/588172492.db2.gz HLVUIOYTNGIKIA-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP CC[NH2+]CC(=O)NC1CC[NH+](CCOC)CC1 ZINC000844174701 588171839 /nfs/dbraw/zinc/17/18/39/588171839.db2.gz BQIDVWPOKIWEKC-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000844177087 588171860 /nfs/dbraw/zinc/17/18/60/588171860.db2.gz AZMOULHWVHKBGU-GHMZBOCLSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000844177088 588172506 /nfs/dbraw/zinc/17/25/06/588172506.db2.gz AZMOULHWVHKBGU-MNOVXSKESA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000844177089 588172295 /nfs/dbraw/zinc/17/22/95/588172295.db2.gz AZMOULHWVHKBGU-QWRGUYRKSA-N 2 0 243.351 -0.179 20 0 BBADRP C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000844177090 588172393 /nfs/dbraw/zinc/17/23/93/588172393.db2.gz AZMOULHWVHKBGU-WDEREUQCSA-N 2 0 243.351 -0.179 20 0 BBADRP CC[NH2+]CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000844178716 588171983 /nfs/dbraw/zinc/17/19/83/588171983.db2.gz IZUIQXRAEGUMQJ-UHFFFAOYSA-N 2 0 239.323 -0.007 20 0 BBADRP CC[NH2+]CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000844180726 588172466 /nfs/dbraw/zinc/17/24/66/588172466.db2.gz SCRFAUSGVLBVOB-UHFFFAOYSA-N 2 0 239.323 -0.007 20 0 BBADRP CC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000844181077 588172519 /nfs/dbraw/zinc/17/25/19/588172519.db2.gz MWXWBHDPWAGVKW-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000844181078 588172416 /nfs/dbraw/zinc/17/24/16/588172416.db2.gz MWXWBHDPWAGVKW-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000844183074 588172351 /nfs/dbraw/zinc/17/23/51/588172351.db2.gz QKASKMXQVKZVDS-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000844183075 588172540 /nfs/dbraw/zinc/17/25/40/588172540.db2.gz QKASKMXQVKZVDS-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP CC[NH2+]CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000844184717 645317107 /nfs/dbraw/zinc/31/71/07/645317107.db2.gz XFPRKZAKIYWYHM-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH2+]CC(=O)NCC[N@H+](C)CCCOC ZINC000844185479 645316555 /nfs/dbraw/zinc/31/65/55/645316555.db2.gz KIKJFHDXTFFVPT-UHFFFAOYSA-N 2 0 231.340 -0.320 20 0 BBADRP CC[NH2+]CC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000844189400 645316333 /nfs/dbraw/zinc/31/63/33/645316333.db2.gz MHILKMOZGMZOQJ-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CC[NH2+]CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000844190575 588172812 /nfs/dbraw/zinc/17/28/12/588172812.db2.gz NQSKKAWKLBENDF-LLVKDONJSA-N 2 0 242.367 -0.652 20 0 BBADRP CC[NH2+]CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000844190578 588172690 /nfs/dbraw/zinc/17/26/90/588172690.db2.gz NQSKKAWKLBENDF-NSHDSACASA-N 2 0 242.367 -0.652 20 0 BBADRP CC[NH2+]CC(=O)NCCN1CC[NH+](CC)CC1 ZINC000844192526 588172729 /nfs/dbraw/zinc/17/27/29/588172729.db2.gz WOTVOBNHDQYYQL-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP C[C@@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000844198644 588173498 /nfs/dbraw/zinc/17/34/98/588173498.db2.gz MCWOUGBBLZYUNV-AEJSXWLSSA-N 2 0 211.309 -0.243 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NCCC1(C[NH3+])CC1 ZINC000846171978 588259306 /nfs/dbraw/zinc/25/93/06/588259306.db2.gz JVQHOCPRGATSGN-QMMMGPOBSA-N 2 0 214.313 -0.238 20 0 BBADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)C[NH3+])C[C@H]1C[NH3+] ZINC000846173110 588259208 /nfs/dbraw/zinc/25/92/08/588259208.db2.gz PUOFPTDWPJOTTQ-IVZWLZJFSA-N 2 0 244.339 -0.661 20 0 BBADRP C[NH2+]CCN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000846182360 588259335 /nfs/dbraw/zinc/25/93/35/588259335.db2.gz BZGHHMYXLNUUDY-UHFFFAOYSA-N 2 0 228.340 -0.024 20 0 BBADRP NC(=O)[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846218240 588260985 /nfs/dbraw/zinc/26/09/85/588260985.db2.gz NSTPRVMYNJTARJ-JTQLQIEISA-N 2 0 229.324 -0.308 20 0 BBADRP NC(=O)[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846218241 588260777 /nfs/dbraw/zinc/26/07/77/588260777.db2.gz NSTPRVMYNJTARJ-SNVBAGLBSA-N 2 0 229.324 -0.308 20 0 BBADRP [NH3+]CCCCCCN(CC[NH3+])CCO ZINC000846219438 588260624 /nfs/dbraw/zinc/26/06/24/588260624.db2.gz BBJFFDWYKJWDBN-UHFFFAOYSA-N 2 0 203.330 -0.242 20 0 BBADRP CNC(=O)[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846220332 588261392 /nfs/dbraw/zinc/26/13/92/588261392.db2.gz GFRRHQYHUGFJOK-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CNC(=O)[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846220333 588261133 /nfs/dbraw/zinc/26/11/33/588261133.db2.gz GFRRHQYHUGFJOK-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[N@H+](CCCCCC[NH3+])C[C@@H](O)C[NH3+] ZINC000846221463 588261077 /nfs/dbraw/zinc/26/10/77/588261077.db2.gz YZZJPADGLZYMAB-JTQLQIEISA-N 2 0 203.330 -0.243 20 0 BBADRP C[N@H+](CCCCCC[NH3+])C[C@H](O)C[NH3+] ZINC000846221465 588261402 /nfs/dbraw/zinc/26/14/02/588261402.db2.gz YZZJPADGLZYMAB-SNVBAGLBSA-N 2 0 203.330 -0.243 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000846223416 588261577 /nfs/dbraw/zinc/26/15/77/588261577.db2.gz JMGDMGLWKIOPFC-NEPJUHHUSA-N 2 0 227.352 -0.215 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000846223417 588261830 /nfs/dbraw/zinc/26/18/30/588261830.db2.gz JMGDMGLWKIOPFC-NWDGAFQWSA-N 2 0 227.352 -0.215 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000846223418 588261593 /nfs/dbraw/zinc/26/15/93/588261593.db2.gz JMGDMGLWKIOPFC-RYUDHWBXSA-N 2 0 227.352 -0.215 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000846223419 588261832 /nfs/dbraw/zinc/26/18/32/588261832.db2.gz JMGDMGLWKIOPFC-VXGBXAGGSA-N 2 0 227.352 -0.215 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846674571 588281959 /nfs/dbraw/zinc/28/19/59/588281959.db2.gz CFZXJPBVSFGTAN-FXBDTBDDSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846674572 588282066 /nfs/dbraw/zinc/28/20/66/588282066.db2.gz CFZXJPBVSFGTAN-HGNGGELXSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846674573 588282130 /nfs/dbraw/zinc/28/21/30/588282130.db2.gz CFZXJPBVSFGTAN-SFGNSQDASA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846674574 588281912 /nfs/dbraw/zinc/28/19/12/588281912.db2.gz CFZXJPBVSFGTAN-UJNFCWOMSA-N 2 0 211.309 -0.020 20 0 BBADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1[NH3+])C2 ZINC000846686702 588282998 /nfs/dbraw/zinc/28/29/98/588282998.db2.gz APNORHAEGRRGOI-WYFGTUCQSA-N 2 0 223.320 -0.079 20 0 BBADRP CC[NH2+]CC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000846687466 588282909 /nfs/dbraw/zinc/28/29/09/588282909.db2.gz OYIWUABHIGEWOL-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000846691402 588283224 /nfs/dbraw/zinc/28/32/24/588283224.db2.gz KRIHNXWPCLLNPM-LLVKDONJSA-N 2 0 229.299 -0.067 20 0 BBADRP [NH3+]CC1(CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000846691404 588283087 /nfs/dbraw/zinc/28/30/87/588283087.db2.gz KRIHNXWPCLLNPM-NSHDSACASA-N 2 0 229.299 -0.067 20 0 BBADRP CC[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846694814 588283122 /nfs/dbraw/zinc/28/31/22/588283122.db2.gz RGIUUEVEFRKPGM-NXEZZACHSA-N 2 0 229.324 -0.582 20 0 BBADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000846697074 588283458 /nfs/dbraw/zinc/28/34/58/588283458.db2.gz ZHMJCMTZIPXBMT-DOLQZWNJSA-N 2 0 227.308 -0.844 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000846701292 588283466 /nfs/dbraw/zinc/28/34/66/588283466.db2.gz USIGBPUXSUXEAM-VHSXEESVSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848421715 588382913 /nfs/dbraw/zinc/38/29/13/588382913.db2.gz FTPMZILFPMXDTI-ATZCPNFKSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848421716 588382957 /nfs/dbraw/zinc/38/29/57/588382957.db2.gz FTPMZILFPMXDTI-IQJOONFLSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848421717 588382985 /nfs/dbraw/zinc/38/29/85/588382985.db2.gz FTPMZILFPMXDTI-NGZCFLSTSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848421718 588382653 /nfs/dbraw/zinc/38/26/53/588382653.db2.gz FTPMZILFPMXDTI-QXEWZRGKSA-N 2 0 211.309 -0.161 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848429040 588383130 /nfs/dbraw/zinc/38/31/30/588383130.db2.gz LOOWNBYOBSNQCT-GXSJLCMTSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848429043 588383522 /nfs/dbraw/zinc/38/35/22/588383522.db2.gz LOOWNBYOBSNQCT-ONGXEEELSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000848431308 588384226 /nfs/dbraw/zinc/38/42/26/588384226.db2.gz ICGUZPBXQFFGGZ-RGOKHQFPSA-N 2 0 211.309 -0.210 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C(F)(F)F ZINC000848436580 588384844 /nfs/dbraw/zinc/38/48/44/588384844.db2.gz WWRQGOFVKXAROA-CAHLUQPWSA-N 2 0 243.204 -0.306 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)C(F)(F)F ZINC000848436581 588384836 /nfs/dbraw/zinc/38/48/36/588384836.db2.gz WWRQGOFVKXAROA-FSPLSTOPSA-N 2 0 243.204 -0.306 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C(F)(F)F ZINC000848436582 588384135 /nfs/dbraw/zinc/38/41/35/588384135.db2.gz WWRQGOFVKXAROA-IYSWYEEDSA-N 2 0 243.204 -0.306 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)C(F)(F)F ZINC000848436583 588384063 /nfs/dbraw/zinc/38/40/63/588384063.db2.gz WWRQGOFVKXAROA-VDTYLAMSSA-N 2 0 243.204 -0.306 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(F)(F)F ZINC000848437085 588385019 /nfs/dbraw/zinc/38/50/19/588385019.db2.gz DEEPJGJFUZFZLE-MROZADKFSA-N 2 0 211.187 -0.661 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(F)(F)F ZINC000848437086 588385102 /nfs/dbraw/zinc/38/51/02/588385102.db2.gz DEEPJGJFUZFZLE-WISUUJSJSA-N 2 0 211.187 -0.661 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848605608 588401701 /nfs/dbraw/zinc/40/17/01/588401701.db2.gz OROFECOXYNXAOY-LPEHRKFASA-N 2 0 228.340 -0.027 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO ZINC000848980401 588423379 /nfs/dbraw/zinc/42/33/79/588423379.db2.gz JOEJLPGECXUUNU-JTQLQIEISA-N 2 0 228.340 -0.033 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO ZINC000848980402 588423270 /nfs/dbraw/zinc/42/32/70/588423270.db2.gz JOEJLPGECXUUNU-SNVBAGLBSA-N 2 0 228.340 -0.033 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCO ZINC000848980444 588423360 /nfs/dbraw/zinc/42/33/60/588423360.db2.gz MTGXVZYNTURMMF-SECBINFHSA-N 2 0 214.313 -0.423 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCO ZINC000848980445 588423333 /nfs/dbraw/zinc/42/33/33/588423333.db2.gz MTGXVZYNTURMMF-VIFPVBQESA-N 2 0 214.313 -0.423 20 0 BBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)O ZINC000848980819 588422752 /nfs/dbraw/zinc/42/27/52/588422752.db2.gz PJEXBJROMHJIBD-NXEZZACHSA-N 2 0 228.340 -0.035 20 0 BBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)O ZINC000848980820 588422743 /nfs/dbraw/zinc/42/27/43/588422743.db2.gz PJEXBJROMHJIBD-ZJUUUORDSA-N 2 0 228.340 -0.035 20 0 BBADRP CNC(=[NH2+])NCC(C)(C)N1CC[NH+](C)CC1 ZINC000848984007 588424921 /nfs/dbraw/zinc/42/49/21/588424921.db2.gz CGUVMYPAFKOXEM-UHFFFAOYSA-N 2 0 227.356 -0.244 20 0 BBADRP CC[NH+]1CCN(CCNC(=[NH2+])N(C)C)CC1 ZINC000848987781 582817697 /nfs/dbraw/zinc/81/76/97/582817697.db2.gz AAHSZTAWNCGAHN-UHFFFAOYSA-N 2 0 227.356 -0.290 20 0 BBADRP CCNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848987850 588426292 /nfs/dbraw/zinc/42/62/92/588426292.db2.gz IJFLCRJDZWYKBY-UHFFFAOYSA-N 2 0 228.340 -0.033 20 0 BBADRP CCNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000848987860 588426139 /nfs/dbraw/zinc/42/61/39/588426139.db2.gz JBCJFBASSQMQEA-UHFFFAOYSA-N 2 0 227.356 -0.242 20 0 BBADRP CC[NH+]1CCN(CCNC(=[NH2+])N2CCC2)CC1 ZINC000848987862 588426205 /nfs/dbraw/zinc/42/62/05/588426205.db2.gz JNXYESCGTDFRJY-UHFFFAOYSA-N 2 0 239.367 -0.146 20 0 BBADRP CNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848987881 588426360 /nfs/dbraw/zinc/42/63/60/588426360.db2.gz MEWQTJKYUOZMSW-UHFFFAOYSA-N 2 0 214.313 -0.423 20 0 BBADRP CC[NH+]1CCN(CCNC(=[NH2+])NC)CC1 ZINC000848987897 588426392 /nfs/dbraw/zinc/42/63/92/588426392.db2.gz NBLKBJDHVISHIF-UHFFFAOYSA-N 2 0 213.329 -0.632 20 0 BBADRP CNC(=[NH2+])NCC[NH+]1CCC(OC)CC1 ZINC000848993205 588427869 /nfs/dbraw/zinc/42/78/69/588427869.db2.gz IDKUSNQUVDVXJH-UHFFFAOYSA-N 2 0 214.313 -0.159 20 0 BBADRP CCNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000848993974 588428260 /nfs/dbraw/zinc/42/82/60/588428260.db2.gz ABOVHEMOKFCXJS-UHFFFAOYSA-N 2 0 227.356 -0.242 20 0 BBADRP CNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000848994098 588428251 /nfs/dbraw/zinc/42/82/51/588428251.db2.gz QUUXJLZGLKQACU-UHFFFAOYSA-N 2 0 213.329 -0.632 20 0 BBADRP C[N@@H+]1CCCN(CCNC(=[NH2+])N2CCC2)CC1 ZINC000848994118 582819769 /nfs/dbraw/zinc/81/97/69/582819769.db2.gz SZVVWXHGOLMQOG-UHFFFAOYSA-N 2 0 239.367 -0.146 20 0 BBADRP CN(C)C(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000848994145 588428337 /nfs/dbraw/zinc/42/83/37/588428337.db2.gz XFJDFSPJKFKBPL-UHFFFAOYSA-N 2 0 227.356 -0.290 20 0 BBADRP C[C@H](CNC(=[NH2+])N(C)C)C[NH+]1CCN(C)CC1 ZINC000848994595 582820472 /nfs/dbraw/zinc/82/04/72/582820472.db2.gz QNKZVTZNVCHATA-LLVKDONJSA-N 2 0 241.383 -0.044 20 0 BBADRP C[C@@H](CNC(=[NH2+])N(C)C)C[NH+]1CCN(C)CC1 ZINC000848994600 582820452 /nfs/dbraw/zinc/82/04/52/582820452.db2.gz QNKZVTZNVCHATA-NSHDSACASA-N 2 0 241.383 -0.044 20 0 BBADRP [NH2+]=C(NCCNc1cc[nH+]cc1)N1CCOCC1 ZINC000848995188 588428780 /nfs/dbraw/zinc/42/87/80/588428780.db2.gz COQUEZMWNRAHBD-UHFFFAOYSA-N 2 0 249.318 -0.228 20 0 BBADRP COCCNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995442 588428479 /nfs/dbraw/zinc/42/84/79/588428479.db2.gz XEZVQGWOEUTRAJ-UHFFFAOYSA-N 2 0 237.307 -0.324 20 0 BBADRP CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999335 588430219 /nfs/dbraw/zinc/43/02/19/588430219.db2.gz WYJSPFUFKLNAOP-SECBINFHSA-N 2 0 241.339 -0.682 20 0 BBADRP CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999336 588430399 /nfs/dbraw/zinc/43/03/99/588430399.db2.gz WYJSPFUFKLNAOP-VIFPVBQESA-N 2 0 241.339 -0.682 20 0 BBADRP C[C@H](CNC(=[NH2+])N1CCC1)N1CC[NH+](C)CC1 ZINC000849000136 588430392 /nfs/dbraw/zinc/43/03/92/588430392.db2.gz PSGAOCAMNDTELR-LLVKDONJSA-N 2 0 239.367 -0.148 20 0 BBADRP C[C@@H](CNC(=[NH2+])N1CCC1)N1CC[NH+](C)CC1 ZINC000849000138 588430369 /nfs/dbraw/zinc/43/03/69/588430369.db2.gz PSGAOCAMNDTELR-NSHDSACASA-N 2 0 239.367 -0.148 20 0 BBADRP C[C@@H](CNC(=[NH2+])N(C)C)N1CC[NH+](C)CC1 ZINC000849000144 588430378 /nfs/dbraw/zinc/43/03/78/588430378.db2.gz QUXOUNNPSAZIET-JTQLQIEISA-N 2 0 227.356 -0.292 20 0 BBADRP C[C@H](CNC(=[NH2+])N(C)C)N1CC[NH+](C)CC1 ZINC000849000146 588430466 /nfs/dbraw/zinc/43/04/66/588430466.db2.gz QUXOUNNPSAZIET-SNVBAGLBSA-N 2 0 227.356 -0.292 20 0 BBADRP CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000849000150 588430319 /nfs/dbraw/zinc/43/03/19/588430319.db2.gz RBFLZYGIHHEDIV-SECBINFHSA-N 2 0 213.329 -0.634 20 0 BBADRP CNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000849000152 588430300 /nfs/dbraw/zinc/43/03/00/588430300.db2.gz RBFLZYGIHHEDIV-VIFPVBQESA-N 2 0 213.329 -0.634 20 0 BBADRP CCNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000849000208 588430546 /nfs/dbraw/zinc/43/05/46/588430546.db2.gz XXTGFIHZWQINHS-JTQLQIEISA-N 2 0 227.356 -0.244 20 0 BBADRP CCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000849000209 588430360 /nfs/dbraw/zinc/43/03/60/588430360.db2.gz XXTGFIHZWQINHS-SNVBAGLBSA-N 2 0 227.356 -0.244 20 0 BBADRP CNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000849007422 588433176 /nfs/dbraw/zinc/43/31/76/588433176.db2.gz MGAAKZYIYXWGLH-UHFFFAOYSA-N 2 0 214.313 -0.159 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000849008185 588433552 /nfs/dbraw/zinc/43/35/52/588433552.db2.gz WZTRYSLZAIBHRZ-LLVKDONJSA-N 2 0 239.367 -0.101 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000849008186 588433316 /nfs/dbraw/zinc/43/33/16/588433316.db2.gz WZTRYSLZAIBHRZ-NSHDSACASA-N 2 0 239.367 -0.101 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000849008201 588433607 /nfs/dbraw/zinc/43/36/07/588433607.db2.gz XTMOGAGXEVTCQV-JTQLQIEISA-N 2 0 225.340 -0.538 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])N1CCC1 ZINC000849008202 588433483 /nfs/dbraw/zinc/43/34/83/588433483.db2.gz XTMOGAGXEVTCQV-SNVBAGLBSA-N 2 0 225.340 -0.538 20 0 BBADRP COCCNC(=[NH2+])NCCN1CCC1 ZINC000849014697 588436308 /nfs/dbraw/zinc/43/63/08/588436308.db2.gz SBHKRFRJKATGQF-UHFFFAOYSA-N 2 0 200.286 -0.548 20 0 BBADRP COC[C@@H](C)NC(=[NH2+])NCCN1CCC1 ZINC000849014701 588436295 /nfs/dbraw/zinc/43/62/95/588436295.db2.gz SITFKTPBIOGOEC-SECBINFHSA-N 2 0 214.313 -0.159 20 0 BBADRP COC[C@H](C)NC(=[NH2+])NCCN1CCC1 ZINC000849014702 588436358 /nfs/dbraw/zinc/43/63/58/588436358.db2.gz SITFKTPBIOGOEC-VIFPVBQESA-N 2 0 214.313 -0.159 20 0 BBADRP CC[C@H](C)NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019052 588438192 /nfs/dbraw/zinc/43/81/92/588438192.db2.gz FAULMIFSUCBWTR-GXSJLCMTSA-N 2 0 228.340 -0.035 20 0 BBADRP CC[C@@H](C)NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019053 588438142 /nfs/dbraw/zinc/43/81/42/588438142.db2.gz FAULMIFSUCBWTR-KOLCDFICSA-N 2 0 228.340 -0.035 20 0 BBADRP CC[C@@H](C)NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019054 588437995 /nfs/dbraw/zinc/43/79/95/588437995.db2.gz FAULMIFSUCBWTR-MWLCHTKSSA-N 2 0 228.340 -0.035 20 0 BBADRP CC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019055 582827815 /nfs/dbraw/zinc/82/78/15/582827815.db2.gz FAULMIFSUCBWTR-ONGXEEELSA-N 2 0 228.340 -0.035 20 0 BBADRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])N2CCC2)C1 ZINC000849019073 588438287 /nfs/dbraw/zinc/43/82/87/588438287.db2.gz GFZYXGIQPBSUOE-JTQLQIEISA-N 2 0 212.297 -0.717 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCC2)C1 ZINC000849019074 588438312 /nfs/dbraw/zinc/43/83/12/588438312.db2.gz GFZYXGIQPBSUOE-SNVBAGLBSA-N 2 0 212.297 -0.717 20 0 BBADRP CCCCNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019211 588438216 /nfs/dbraw/zinc/43/82/16/588438216.db2.gz SDILETXRSQYZLX-LLVKDONJSA-N 2 0 228.340 -0.033 20 0 BBADRP CCCCNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019212 588438148 /nfs/dbraw/zinc/43/81/48/588438148.db2.gz SDILETXRSQYZLX-NSHDSACASA-N 2 0 228.340 -0.033 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NC2CCC2)C1 ZINC000849019213 588438028 /nfs/dbraw/zinc/43/80/28/588438028.db2.gz SEGUJSROWXMIQW-LLVKDONJSA-N 2 0 226.324 -0.281 20 0 BBADRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NC2CCC2)C1 ZINC000849019214 588438036 /nfs/dbraw/zinc/43/80/36/588438036.db2.gz SEGUJSROWXMIQW-NSHDSACASA-N 2 0 226.324 -0.281 20 0 BBADRP COC[C@H](C)NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019229 588438052 /nfs/dbraw/zinc/43/80/52/588438052.db2.gz ULHXWNCXOIQHFN-GXSJLCMTSA-N 2 0 244.339 -0.798 20 0 BBADRP COC[C@@H](C)NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019230 588438296 /nfs/dbraw/zinc/43/82/96/588438296.db2.gz ULHXWNCXOIQHFN-KOLCDFICSA-N 2 0 244.339 -0.798 20 0 BBADRP COC[C@@H](C)NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019231 588438234 /nfs/dbraw/zinc/43/82/34/588438234.db2.gz ULHXWNCXOIQHFN-MWLCHTKSSA-N 2 0 244.339 -0.798 20 0 BBADRP COC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019232 588438279 /nfs/dbraw/zinc/43/82/79/588438279.db2.gz ULHXWNCXOIQHFN-ONGXEEELSA-N 2 0 244.339 -0.798 20 0 BBADRP CCN(CC)C(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019276 588438240 /nfs/dbraw/zinc/43/82/40/588438240.db2.gz YZAJAOBYVXQMTI-LLVKDONJSA-N 2 0 228.340 -0.081 20 0 BBADRP CCN(CC)C(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019277 588438325 /nfs/dbraw/zinc/43/83/25/588438325.db2.gz YZAJAOBYVXQMTI-NSHDSACASA-N 2 0 228.340 -0.081 20 0 BBADRP C[C@@H]1C[N@H+](CCCNC(N)=[NH2+])CCCO1 ZINC000849022482 588439446 /nfs/dbraw/zinc/43/94/46/588439446.db2.gz CZNDZJDMSQNILW-SECBINFHSA-N 2 0 214.313 -0.030 20 0 BBADRP C[C@H]1C[N@H+](CCCNC(N)=[NH2+])CCCO1 ZINC000849022483 588439417 /nfs/dbraw/zinc/43/94/17/588439417.db2.gz CZNDZJDMSQNILW-VIFPVBQESA-N 2 0 214.313 -0.030 20 0 BBADRP CNC(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000849026891 588441038 /nfs/dbraw/zinc/44/10/38/588441038.db2.gz YNMVWQLLNVZOJG-UHFFFAOYSA-N 2 0 227.356 -0.244 20 0 BBADRP CN(C)C(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000849028132 588441600 /nfs/dbraw/zinc/44/16/00/588441600.db2.gz FZOFJTCMVXBCRB-UHFFFAOYSA-N 2 0 229.372 -0.044 20 0 BBADRP CNC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000849028349 588441397 /nfs/dbraw/zinc/44/13/97/588441397.db2.gz RUZZCXMOQMIMSV-UHFFFAOYSA-N 2 0 215.345 -0.386 20 0 BBADRP COCCNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030371 588442416 /nfs/dbraw/zinc/44/24/16/588442416.db2.gz MBPPQYAEYGAEDW-SECBINFHSA-N 2 0 216.329 -0.056 20 0 BBADRP COCCNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030372 588442485 /nfs/dbraw/zinc/44/24/85/588442485.db2.gz MBPPQYAEYGAEDW-VIFPVBQESA-N 2 0 216.329 -0.056 20 0 BBADRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+]2CCCO)N1 ZINC000849033992 588444436 /nfs/dbraw/zinc/44/44/36/588444436.db2.gz HVUZRVFHTHPSDS-GHMZBOCLSA-N 2 0 240.351 -0.230 20 0 BBADRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+]2CCCO)N1 ZINC000849033993 588444133 /nfs/dbraw/zinc/44/41/33/588444133.db2.gz HVUZRVFHTHPSDS-MNOVXSKESA-N 2 0 240.351 -0.230 20 0 BBADRP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+]2CCCO)N1 ZINC000849033994 588444138 /nfs/dbraw/zinc/44/41/38/588444138.db2.gz HVUZRVFHTHPSDS-QWRGUYRKSA-N 2 0 240.351 -0.230 20 0 BBADRP C[C@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+]2CCCO)N1 ZINC000849033995 588444415 /nfs/dbraw/zinc/44/44/15/588444415.db2.gz HVUZRVFHTHPSDS-WDEREUQCSA-N 2 0 240.351 -0.230 20 0 BBADRP NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849034068 588444284 /nfs/dbraw/zinc/44/42/84/588444284.db2.gz KBUIVDQYFCNVAL-MRVPVSSYSA-N 2 0 200.286 -0.684 20 0 BBADRP NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849034069 588443841 /nfs/dbraw/zinc/44/38/41/588443841.db2.gz KBUIVDQYFCNVAL-QMMMGPOBSA-N 2 0 200.286 -0.684 20 0 BBADRP CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849034108 711599683 /nfs/dbraw/zinc/59/96/83/711599683.db2.gz LPOZVQHKYMQNPX-JTQLQIEISA-N 2 0 228.340 -0.033 20 0 BBADRP CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849034109 711599655 /nfs/dbraw/zinc/59/96/55/711599655.db2.gz LPOZVQHKYMQNPX-SNVBAGLBSA-N 2 0 228.340 -0.033 20 0 BBADRP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+]1CCCO ZINC000849034328 588444189 /nfs/dbraw/zinc/44/41/89/588444189.db2.gz RTERHDZIWNEZKQ-LLVKDONJSA-N 2 0 240.351 -0.276 20 0 BBADRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849034329 588444163 /nfs/dbraw/zinc/44/41/63/588444163.db2.gz RTERHDZIWNEZKQ-NSHDSACASA-N 2 0 240.351 -0.276 20 0 BBADRP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849034419 588444092 /nfs/dbraw/zinc/44/40/92/588444092.db2.gz VFBLXJAVNGEPRN-JTQLQIEISA-N 2 0 228.340 -0.081 20 0 BBADRP CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849034420 588444254 /nfs/dbraw/zinc/44/42/54/588444254.db2.gz VFBLXJAVNGEPRN-SNVBAGLBSA-N 2 0 228.340 -0.081 20 0 BBADRP CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849034429 588444246 /nfs/dbraw/zinc/44/42/46/588444246.db2.gz VOUCQZSXVPBNBR-SECBINFHSA-N 2 0 214.313 -0.423 20 0 BBADRP CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849034430 588444172 /nfs/dbraw/zinc/44/41/72/588444172.db2.gz VOUCQZSXVPBNBR-VIFPVBQESA-N 2 0 214.313 -0.423 20 0 BBADRP C[NH+](C)CCn1cc(CN2CC[NH2+]CC2)nn1 ZINC000849136062 632050033 /nfs/dbraw/zinc/05/00/33/632050033.db2.gz AAHBVTGSCMCVKV-UHFFFAOYSA-N 2 0 238.339 -0.755 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851647124 588612792 /nfs/dbraw/zinc/61/27/92/588612792.db2.gz DOLNXJQOLDLOAH-LXGUWJNJSA-N 2 0 201.245 -0.769 20 0 BBADRP CC[NH2+]CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851648818 588613254 /nfs/dbraw/zinc/61/32/54/588613254.db2.gz OUTNXXYXBKQBSW-HTQZYQBOSA-N 2 0 203.261 -0.506 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851663709 588613739 /nfs/dbraw/zinc/61/37/39/588613739.db2.gz GXOHHYRTKOYORE-XLPZGREQSA-N 2 0 218.276 -0.586 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000851663724 588613788 /nfs/dbraw/zinc/61/37/88/588613788.db2.gz HFCUUDJAKAFHIR-ZETCQYMHSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851663738 588613904 /nfs/dbraw/zinc/61/39/04/588613904.db2.gz HOMMAXDGXTXTTQ-JEUQWKINSA-N 2 0 212.297 -0.615 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851664414 588613802 /nfs/dbraw/zinc/61/38/02/588613802.db2.gz ZBERRTXLXXVADV-JEUQWKINSA-N 2 0 212.297 -0.534 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NCC1([NH3+])CCCC1 ZINC000851664422 588613914 /nfs/dbraw/zinc/61/39/14/588613914.db2.gz ZFLCXDLMUZAWKJ-QMMMGPOBSA-N 2 0 214.313 -0.096 20 0 BBADRP [NH3+]CCN(CCO)C(=O)NCC1([NH3+])CCCC1 ZINC000851671208 588614460 /nfs/dbraw/zinc/61/44/60/588614460.db2.gz ICNQUFJMZXUNAX-UHFFFAOYSA-N 2 0 244.339 -0.780 20 0 BBADRP C[NH2+]CCN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676237 588614593 /nfs/dbraw/zinc/61/45/93/588614593.db2.gz GTNUFLNPPFCWGS-UHFFFAOYSA-N 2 0 226.324 -0.401 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)N(CC[NH3+])CCO ZINC000851677604 588614395 /nfs/dbraw/zinc/61/43/95/588614395.db2.gz HUTIEXSTAIPNMB-SNVBAGLBSA-N 2 0 246.355 -0.678 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851680156 588614790 /nfs/dbraw/zinc/61/47/90/588614790.db2.gz IACCWMFSXSMRBO-AEJSXWLSSA-N 2 0 226.324 -0.402 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851680157 588614751 /nfs/dbraw/zinc/61/47/51/588614751.db2.gz IACCWMFSXSMRBO-BBBLOLIVSA-N 2 0 226.324 -0.402 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000851681650 588614634 /nfs/dbraw/zinc/61/46/34/588614634.db2.gz QGCXHZNMPWADGK-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000851681652 588614649 /nfs/dbraw/zinc/61/46/49/588614649.db2.gz QGCXHZNMPWADGK-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000851681654 588614755 /nfs/dbraw/zinc/61/47/55/588614755.db2.gz QGCXHZNMPWADGK-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000851681655 588614778 /nfs/dbraw/zinc/61/47/78/588614778.db2.gz QGCXHZNMPWADGK-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H](C)C[NH2+]C ZINC000851681731 588614696 /nfs/dbraw/zinc/61/46/96/588614696.db2.gz QUSAWFKOBZUILQ-MRVPVSSYSA-N 2 0 202.302 -0.545 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H](C)C[NH2+]C ZINC000851681733 588614616 /nfs/dbraw/zinc/61/46/16/588614616.db2.gz QUSAWFKOBZUILQ-QMMMGPOBSA-N 2 0 202.302 -0.545 20 0 BBADRP [NH3+]C[C@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000852744198 588699117 /nfs/dbraw/zinc/69/91/17/588699117.db2.gz VEVNDMYVMHUIIC-GHMZBOCLSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000852744199 588699082 /nfs/dbraw/zinc/69/90/82/588699082.db2.gz VEVNDMYVMHUIIC-MNOVXSKESA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000852744200 588699076 /nfs/dbraw/zinc/69/90/76/588699076.db2.gz VEVNDMYVMHUIIC-QWRGUYRKSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000852744201 588699066 /nfs/dbraw/zinc/69/90/66/588699066.db2.gz VEVNDMYVMHUIIC-WDEREUQCSA-N 2 0 213.325 -0.355 20 0 BBADRP FC(F)[C@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000852749866 588698591 /nfs/dbraw/zinc/69/85/91/588698591.db2.gz QKKYGMLNMTVIPR-RKDXNWHRSA-N 2 0 235.278 -0.486 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852749901 588700203 /nfs/dbraw/zinc/70/02/03/588700203.db2.gz QZGYTQSXWXDQGO-MXWKQRLJSA-N 2 0 211.309 -0.732 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852749902 588700005 /nfs/dbraw/zinc/70/00/05/588700005.db2.gz QZGYTQSXWXDQGO-VWYCJHECSA-N 2 0 211.309 -0.732 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750651 588699902 /nfs/dbraw/zinc/69/99/02/588699902.db2.gz BIZGEXRMJKFSDZ-NEPJUHHUSA-N 2 0 225.336 -0.197 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750652 588699956 /nfs/dbraw/zinc/69/99/56/588699956.db2.gz BIZGEXRMJKFSDZ-NWDGAFQWSA-N 2 0 225.336 -0.197 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750653 588700018 /nfs/dbraw/zinc/70/00/18/588700018.db2.gz BIZGEXRMJKFSDZ-RYUDHWBXSA-N 2 0 225.336 -0.197 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750654 588700198 /nfs/dbraw/zinc/70/01/98/588700198.db2.gz BIZGEXRMJKFSDZ-VXGBXAGGSA-N 2 0 225.336 -0.197 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852753837 588700693 /nfs/dbraw/zinc/70/06/93/588700693.db2.gz JBWQIOAZBQNBEJ-UHFFFAOYSA-N 2 0 239.319 -0.169 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755235 588700622 /nfs/dbraw/zinc/70/06/22/588700622.db2.gz IHJGKZSEMVNVMZ-JTQLQIEISA-N 2 0 243.307 -0.512 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755236 588700550 /nfs/dbraw/zinc/70/05/50/588700550.db2.gz IHJGKZSEMVNVMZ-SNVBAGLBSA-N 2 0 243.307 -0.512 20 0 BBADRP [NH3+]CCC[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852755602 588700576 /nfs/dbraw/zinc/70/05/76/588700576.db2.gz VJFZZUMPOLWICQ-SECBINFHSA-N 2 0 213.281 -0.138 20 0 BBADRP [NH3+]CCC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852755603 588700732 /nfs/dbraw/zinc/70/07/32/588700732.db2.gz VJFZZUMPOLWICQ-VIFPVBQESA-N 2 0 213.281 -0.138 20 0 BBADRP COC(=O)NC1CC[NH+](CCOCC[NH3+])CC1 ZINC000852761739 588701097 /nfs/dbraw/zinc/70/10/97/588701097.db2.gz SUSOZODNEJAZTL-UHFFFAOYSA-N 2 0 245.323 -0.218 20 0 BBADRP O=C([C@@H]1[NH2+]CC12CCCC2)N1CC[NH2+]CC1 ZINC000852771587 588701734 /nfs/dbraw/zinc/70/17/34/588701734.db2.gz ABMJFAIXQUGUCQ-JTQLQIEISA-N 2 0 223.320 -0.050 20 0 BBADRP O=C([C@H]1[NH2+]CC12CCCC2)N1CC[NH2+]CC1 ZINC000852771597 588701509 /nfs/dbraw/zinc/70/15/09/588701509.db2.gz ABMJFAIXQUGUCQ-SNVBAGLBSA-N 2 0 223.320 -0.050 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852789538 588702803 /nfs/dbraw/zinc/70/28/03/588702803.db2.gz BGULYRYIMQBIEV-SNVBAGLBSA-N 2 0 209.293 -0.144 20 0 BBADRP O=C(C=C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000852789685 588702844 /nfs/dbraw/zinc/70/28/44/588702844.db2.gz CYXQZASMUAMNAU-UHFFFAOYSA-N 2 0 209.293 -0.272 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@@H]([NH3+])C2)=NO1 ZINC000852790462 588702931 /nfs/dbraw/zinc/70/29/31/588702931.db2.gz RAEJBXARXHCPLQ-HTQZYQBOSA-N 2 0 226.280 -0.960 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]([NH3+])C2)=NO1 ZINC000852790467 588703084 /nfs/dbraw/zinc/70/30/84/588703084.db2.gz RAEJBXARXHCPLQ-SFYZADRCSA-N 2 0 226.280 -0.960 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC(C[NH3+])CC2)=NO1 ZINC000852791552 588703078 /nfs/dbraw/zinc/70/30/78/588703078.db2.gz JGRPRDKSTBGJSU-SECBINFHSA-N 2 0 240.307 -0.713 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC(C[NH3+])CC2)=NO1 ZINC000852791553 588702934 /nfs/dbraw/zinc/70/29/34/588702934.db2.gz JGRPRDKSTBGJSU-VIFPVBQESA-N 2 0 240.307 -0.713 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NCC2CC[NH2+]CC2)=NO1 ZINC000852793266 588703057 /nfs/dbraw/zinc/70/30/57/588703057.db2.gz VXCDYPHMKIIOFX-SECBINFHSA-N 2 0 240.307 -0.794 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NCC2CC[NH2+]CC2)=NO1 ZINC000852793267 588703009 /nfs/dbraw/zinc/70/30/09/588703009.db2.gz VXCDYPHMKIIOFX-VIFPVBQESA-N 2 0 240.307 -0.794 20 0 BBADRP CC[NH2+]CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852793382 588703116 /nfs/dbraw/zinc/70/31/16/588703116.db2.gz ZGISDKARAOLUME-MRVPVSSYSA-N 2 0 228.296 -0.794 20 0 BBADRP CC[NH2+]CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852793383 588703317 /nfs/dbraw/zinc/70/33/17/588703317.db2.gz ZGISDKARAOLUME-QMMMGPOBSA-N 2 0 228.296 -0.794 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852793535 588703295 /nfs/dbraw/zinc/70/32/95/588703295.db2.gz BGULYRYIMQBIEV-JTQLQIEISA-N 2 0 209.293 -0.144 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000852793613 588703170 /nfs/dbraw/zinc/70/31/70/588703170.db2.gz CSMZTMONVXMELL-GUBZILKMSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000852793614 588703099 /nfs/dbraw/zinc/70/30/99/588703099.db2.gz CSMZTMONVXMELL-OPRDCNLKSA-N 2 0 211.309 -0.079 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852794142 588703166 /nfs/dbraw/zinc/70/31/66/588703166.db2.gz MFHISTDMDDVLSZ-BDAKNGLRSA-N 2 0 240.307 -0.700 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852794143 583016816 /nfs/dbraw/zinc/01/68/16/583016816.db2.gz MFHISTDMDDVLSZ-DTWKUNHWSA-N 2 0 240.307 -0.700 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852794144 583017173 /nfs/dbraw/zinc/01/71/73/583017173.db2.gz MFHISTDMDDVLSZ-IUCAKERBSA-N 2 0 240.307 -0.700 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852794145 583017180 /nfs/dbraw/zinc/01/71/80/583017180.db2.gz MFHISTDMDDVLSZ-RKDXNWHRSA-N 2 0 240.307 -0.700 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H](C[NH3+])C2)=NO1 ZINC000852794469 588703280 /nfs/dbraw/zinc/70/32/80/588703280.db2.gz PJRXEXSYROLGFB-BDAKNGLRSA-N 2 0 240.307 -0.713 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@@H](C[NH3+])C2)=NO1 ZINC000852794470 588703191 /nfs/dbraw/zinc/70/31/91/588703191.db2.gz PJRXEXSYROLGFB-DTWKUNHWSA-N 2 0 240.307 -0.713 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H](C[NH3+])C2)=NO1 ZINC000852794471 588703319 /nfs/dbraw/zinc/70/33/19/588703319.db2.gz PJRXEXSYROLGFB-IUCAKERBSA-N 2 0 240.307 -0.713 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@H](C[NH3+])C2)=NO1 ZINC000852794472 588703268 /nfs/dbraw/zinc/70/32/68/588703268.db2.gz PJRXEXSYROLGFB-RKDXNWHRSA-N 2 0 240.307 -0.713 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NCC[C@H]2CC[NH2+]C2)=NO1 ZINC000852794551 588703113 /nfs/dbraw/zinc/70/31/13/588703113.db2.gz AJRNWCTZBPFROC-BDAKNGLRSA-N 2 0 240.307 -0.794 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NCC[C@@H]2CC[NH2+]C2)=NO1 ZINC000852794552 588703242 /nfs/dbraw/zinc/70/32/42/588703242.db2.gz AJRNWCTZBPFROC-DTWKUNHWSA-N 2 0 240.307 -0.794 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NCC[C@@H]2CC[NH2+]C2)=NO1 ZINC000852794553 588703251 /nfs/dbraw/zinc/70/32/51/588703251.db2.gz AJRNWCTZBPFROC-IUCAKERBSA-N 2 0 240.307 -0.794 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NCC[C@H]2CC[NH2+]C2)=NO1 ZINC000852794554 588703237 /nfs/dbraw/zinc/70/32/37/588703237.db2.gz AJRNWCTZBPFROC-RKDXNWHRSA-N 2 0 240.307 -0.794 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000852794810 588702218 /nfs/dbraw/zinc/70/22/18/588702218.db2.gz TYOVGLHYSMTIPG-MNOVXSKESA-N 2 0 243.351 -0.064 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000852794812 588702144 /nfs/dbraw/zinc/70/21/44/588702144.db2.gz TYOVGLHYSMTIPG-QWRGUYRKSA-N 2 0 243.351 -0.064 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NC2CCC([NH3+])CC2)=NO1 ZINC000852794828 588703213 /nfs/dbraw/zinc/70/32/13/588703213.db2.gz SOKJFBHVWVPGQJ-AMDVSUOASA-N 2 0 240.307 -0.524 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NC2CCC([NH3+])CC2)=NO1 ZINC000852794839 588703164 /nfs/dbraw/zinc/70/31/64/588703164.db2.gz SOKJFBHVWVPGQJ-HACHORDNSA-N 2 0 240.307 -0.524 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]C2)=NO1 ZINC000852795158 588703432 /nfs/dbraw/zinc/70/34/32/588703432.db2.gz VZXOQFAOROXTFQ-BDAKNGLRSA-N 2 0 240.307 -0.794 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCC[NH2+]C2)=NO1 ZINC000852795160 588703530 /nfs/dbraw/zinc/70/35/30/588703530.db2.gz VZXOQFAOROXTFQ-DTWKUNHWSA-N 2 0 240.307 -0.794 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCC[NH2+]C2)=NO1 ZINC000852795164 588703441 /nfs/dbraw/zinc/70/34/41/588703441.db2.gz VZXOQFAOROXTFQ-IUCAKERBSA-N 2 0 240.307 -0.794 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CCC[NH2+]C2)=NO1 ZINC000852795167 588703348 /nfs/dbraw/zinc/70/33/48/588703348.db2.gz VZXOQFAOROXTFQ-RKDXNWHRSA-N 2 0 240.307 -0.794 20 0 BBADRP [NH3+]CCc1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000852795293 588703468 /nfs/dbraw/zinc/70/34/68/588703468.db2.gz WNWSCJGFWSSSMY-UHFFFAOYSA-N 2 0 249.314 -0.862 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCCC[NH2+]2)=NO1 ZINC000852795389 588703578 /nfs/dbraw/zinc/70/35/78/588703578.db2.gz XUEWKFHXTYKLFU-BDAKNGLRSA-N 2 0 240.307 -0.652 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CCCC[NH2+]2)=NO1 ZINC000852795391 588703395 /nfs/dbraw/zinc/70/33/95/588703395.db2.gz XUEWKFHXTYKLFU-DTWKUNHWSA-N 2 0 240.307 -0.652 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCCC[NH2+]2)=NO1 ZINC000852795393 588703372 /nfs/dbraw/zinc/70/33/72/588703372.db2.gz XUEWKFHXTYKLFU-IUCAKERBSA-N 2 0 240.307 -0.652 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCCC[NH2+]2)=NO1 ZINC000852795395 588703587 /nfs/dbraw/zinc/70/35/87/588703587.db2.gz XUEWKFHXTYKLFU-RKDXNWHRSA-N 2 0 240.307 -0.652 20 0 BBADRP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000852795496 588703419 /nfs/dbraw/zinc/70/34/19/588703419.db2.gz YTKGALSHDZLBPG-JTQLQIEISA-N 2 0 209.293 -0.226 20 0 BBADRP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000852795506 588703408 /nfs/dbraw/zinc/70/34/08/588703408.db2.gz YTKGALSHDZLBPG-SNVBAGLBSA-N 2 0 209.293 -0.226 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852795575 588703361 /nfs/dbraw/zinc/70/33/61/588703361.db2.gz IMUKDYVRRGHCCF-SECBINFHSA-N 2 0 242.323 -0.406 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852795577 588703585 /nfs/dbraw/zinc/70/35/85/588703585.db2.gz IMUKDYVRRGHCCF-VIFPVBQESA-N 2 0 242.323 -0.406 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852796384 588703398 /nfs/dbraw/zinc/70/33/98/588703398.db2.gz CZSIDINEIPPRFE-MRVPVSSYSA-N 2 0 242.323 -0.276 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852796389 588703384 /nfs/dbraw/zinc/70/33/84/588703384.db2.gz CZSIDINEIPPRFE-QMMMGPOBSA-N 2 0 242.323 -0.276 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852796882 588703576 /nfs/dbraw/zinc/70/35/76/588703576.db2.gz IOVHPOXYAZLPOO-BDAKNGLRSA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852796883 588703393 /nfs/dbraw/zinc/70/33/93/588703393.db2.gz IOVHPOXYAZLPOO-DTWKUNHWSA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852796884 583017378 /nfs/dbraw/zinc/01/73/78/583017378.db2.gz IOVHPOXYAZLPOO-IUCAKERBSA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852796885 583017796 /nfs/dbraw/zinc/01/77/96/583017796.db2.gz IOVHPOXYAZLPOO-RKDXNWHRSA-N 2 0 242.323 -0.420 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NC2(C[NH3+])CCCC2)=NO1 ZINC000852797369 588703649 /nfs/dbraw/zinc/70/36/49/588703649.db2.gz QEDJWIKVWYOYJO-MRVPVSSYSA-N 2 0 240.307 -0.522 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NC2(C[NH3+])CCCC2)=NO1 ZINC000852797370 588703821 /nfs/dbraw/zinc/70/38/21/588703821.db2.gz QEDJWIKVWYOYJO-QMMMGPOBSA-N 2 0 240.307 -0.522 20 0 BBADRP C[C@](C[NH3+])(NC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852797450 588703764 /nfs/dbraw/zinc/70/37/64/588703764.db2.gz SXWKXTLXDAEWET-GZMMTYOYSA-N 2 0 240.307 -0.666 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852797451 588703725 /nfs/dbraw/zinc/70/37/25/588703725.db2.gz SXWKXTLXDAEWET-KCJUWKMLSA-N 2 0 240.307 -0.666 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852797452 588703854 /nfs/dbraw/zinc/70/38/54/588703854.db2.gz SXWKXTLXDAEWET-KWQFWETISA-N 2 0 240.307 -0.666 20 0 BBADRP C[C@](C[NH3+])(NC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852797453 588703885 /nfs/dbraw/zinc/70/38/85/588703885.db2.gz SXWKXTLXDAEWET-LDYMZIIASA-N 2 0 240.307 -0.666 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000852797519 588703878 /nfs/dbraw/zinc/70/38/78/588703878.db2.gz VJJFMYODKCVGMS-HLTSFMKQSA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC000852797520 588703739 /nfs/dbraw/zinc/70/37/39/588703739.db2.gz VJJFMYODKCVGMS-HRDYMLBCSA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000852797521 588703656 /nfs/dbraw/zinc/70/36/56/588703656.db2.gz VJJFMYODKCVGMS-IWSPIJDZSA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC000852797522 588703817 /nfs/dbraw/zinc/70/38/17/588703817.db2.gz VJJFMYODKCVGMS-YIZRAAEISA-N 2 0 240.307 -0.701 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852797757 588703768 /nfs/dbraw/zinc/70/37/68/588703768.db2.gz ARBRWKDBWWHMFT-MRVPVSSYSA-N 2 0 242.323 -0.276 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852797758 588703647 /nfs/dbraw/zinc/70/36/47/588703647.db2.gz ARBRWKDBWWHMFT-QMMMGPOBSA-N 2 0 242.323 -0.276 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852798446 588703793 /nfs/dbraw/zinc/70/37/93/588703793.db2.gz KNYJAOOLABLECC-BDAKNGLRSA-N 2 0 240.307 -0.700 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852798447 588703623 /nfs/dbraw/zinc/70/36/23/588703623.db2.gz KNYJAOOLABLECC-DTWKUNHWSA-N 2 0 240.307 -0.700 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852798448 588703787 /nfs/dbraw/zinc/70/37/87/588703787.db2.gz KNYJAOOLABLECC-IUCAKERBSA-N 2 0 240.307 -0.700 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852798449 588703857 /nfs/dbraw/zinc/70/38/57/588703857.db2.gz KNYJAOOLABLECC-RKDXNWHRSA-N 2 0 240.307 -0.700 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852798814 588703984 /nfs/dbraw/zinc/70/39/84/588703984.db2.gz BPGRHXRMFZGLQF-BDAKNGLRSA-N 2 0 242.323 -0.276 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852798819 588704000 /nfs/dbraw/zinc/70/40/00/588704000.db2.gz BPGRHXRMFZGLQF-DTWKUNHWSA-N 2 0 242.323 -0.276 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852798823 588703898 /nfs/dbraw/zinc/70/38/98/588703898.db2.gz BPGRHXRMFZGLQF-IUCAKERBSA-N 2 0 242.323 -0.276 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852798826 583017626 /nfs/dbraw/zinc/01/76/26/583017626.db2.gz BPGRHXRMFZGLQF-RKDXNWHRSA-N 2 0 242.323 -0.276 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852799028 588703952 /nfs/dbraw/zinc/70/39/52/588703952.db2.gz PWNOWPNDFAAFPN-MRVPVSSYSA-N 2 0 240.307 -0.700 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852799031 588704132 /nfs/dbraw/zinc/70/41/32/588704132.db2.gz PWNOWPNDFAAFPN-QMMMGPOBSA-N 2 0 240.307 -0.700 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852799464 588703930 /nfs/dbraw/zinc/70/39/30/588703930.db2.gz UCKAQFSYYOGMPR-HTQZYQBOSA-N 2 0 228.296 -0.811 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852799465 588703928 /nfs/dbraw/zinc/70/39/28/588703928.db2.gz UCKAQFSYYOGMPR-JGVFFNPUSA-N 2 0 228.296 -0.811 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852799467 588704095 /nfs/dbraw/zinc/70/40/95/588704095.db2.gz UCKAQFSYYOGMPR-SFYZADRCSA-N 2 0 228.296 -0.811 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852799468 588704048 /nfs/dbraw/zinc/70/40/48/588704048.db2.gz UCKAQFSYYOGMPR-YUMQZZPRSA-N 2 0 228.296 -0.811 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852799663 588704033 /nfs/dbraw/zinc/70/40/33/588704033.db2.gz VWCDTYFBLXZZSJ-MRVPVSSYSA-N 2 0 242.323 -0.467 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852799665 588704072 /nfs/dbraw/zinc/70/40/72/588704072.db2.gz VWCDTYFBLXZZSJ-QMMMGPOBSA-N 2 0 242.323 -0.467 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[C@@H]1[NH3+] ZINC000852800427 588704182 /nfs/dbraw/zinc/70/41/82/588704182.db2.gz YORRYXFTFPPKSM-HLTSFMKQSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[C@H]1[NH3+] ZINC000852800428 588704305 /nfs/dbraw/zinc/70/43/05/588704305.db2.gz YORRYXFTFPPKSM-HRDYMLBCSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[C@H]1[NH3+] ZINC000852800429 588704376 /nfs/dbraw/zinc/70/43/76/588704376.db2.gz YORRYXFTFPPKSM-IWSPIJDZSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[C@@H]1[NH3+] ZINC000852800430 588704240 /nfs/dbraw/zinc/70/42/40/588704240.db2.gz YORRYXFTFPPKSM-VGMNWLOBSA-N 2 0 240.307 -0.714 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852800442 588704185 /nfs/dbraw/zinc/70/41/85/588704185.db2.gz YSHNOBHENHXIOQ-GZMMTYOYSA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852800443 588704168 /nfs/dbraw/zinc/70/41/68/588704168.db2.gz YSHNOBHENHXIOQ-KCJUWKMLSA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852800444 588704298 /nfs/dbraw/zinc/70/42/98/588704298.db2.gz YSHNOBHENHXIOQ-KWQFWETISA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852800445 588704211 /nfs/dbraw/zinc/70/42/11/588704211.db2.gz YSHNOBHENHXIOQ-LDYMZIIASA-N 2 0 242.323 -0.420 20 0 BBADRP C[NH2+]CCNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852824667 588705790 /nfs/dbraw/zinc/70/57/90/588705790.db2.gz DPOWWUGQFYHDKN-SECBINFHSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852824668 588705759 /nfs/dbraw/zinc/70/57/59/588705759.db2.gz DPOWWUGQFYHDKN-VIFPVBQESA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1[NH2+]CC12CCCC2 ZINC000852824765 588705679 /nfs/dbraw/zinc/70/56/79/588705679.db2.gz BGLNFMPUTFVBEM-NXEZZACHSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852824766 588705632 /nfs/dbraw/zinc/70/56/32/588705632.db2.gz BGLNFMPUTFVBEM-UWVGGRQHSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1[NH2+]CC12CCCC2 ZINC000852824767 588705914 /nfs/dbraw/zinc/70/59/14/588705914.db2.gz BGLNFMPUTFVBEM-VHSXEESVSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852824768 588705676 /nfs/dbraw/zinc/70/56/76/588705676.db2.gz BGLNFMPUTFVBEM-ZJUUUORDSA-N 2 0 223.320 -0.003 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852825173 588705939 /nfs/dbraw/zinc/70/59/39/588705939.db2.gz LKRBVZAAQQRQHK-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852825183 588705961 /nfs/dbraw/zinc/70/59/61/588705961.db2.gz LKRBVZAAQQRQHK-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CCCNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852825221 588706021 /nfs/dbraw/zinc/70/60/21/588706021.db2.gz HVOBXJXLIQSYQK-SECBINFHSA-N 2 0 211.309 -0.016 20 0 BBADRP [NH3+]CCCNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825222 588706014 /nfs/dbraw/zinc/70/60/14/588706014.db2.gz HVOBXJXLIQSYQK-VIFPVBQESA-N 2 0 211.309 -0.016 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])COC(C)C ZINC000852826183 588706001 /nfs/dbraw/zinc/70/60/01/588706001.db2.gz BJNKFDIBIAIXAE-VIFPVBQESA-N 2 0 217.313 -0.584 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000852831612 588706720 /nfs/dbraw/zinc/70/67/20/588706720.db2.gz UWAOHOKYYLYQSC-YUMQZZPRSA-N 2 0 203.286 -0.798 20 0 BBADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852832727 588706851 /nfs/dbraw/zinc/70/68/51/588706851.db2.gz FNDQBFQELFSJSS-ZJUUUORDSA-N 2 0 211.309 -0.195 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852833102 588706792 /nfs/dbraw/zinc/70/67/92/588706792.db2.gz KJKYDMFTQQJPMN-VWYCJHECSA-N 2 0 241.335 -0.441 20 0 BBADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852833344 588706827 /nfs/dbraw/zinc/70/68/27/588706827.db2.gz OGVBALQDANSXNH-BBBLOLIVSA-N 2 0 211.309 -0.195 20 0 BBADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852833345 588706743 /nfs/dbraw/zinc/70/67/43/588706743.db2.gz OGVBALQDANSXNH-UTLUCORTSA-N 2 0 211.309 -0.195 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@]1(F)CC[NH2+]C1 ZINC000852842153 588707692 /nfs/dbraw/zinc/70/76/92/588707692.db2.gz RHJDDPHMIBDRSZ-JTQLQIEISA-N 2 0 217.288 -0.116 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852842154 588707623 /nfs/dbraw/zinc/70/76/23/588707623.db2.gz RHJDDPHMIBDRSZ-SNVBAGLBSA-N 2 0 217.288 -0.116 20 0 BBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000852847604 588708110 /nfs/dbraw/zinc/70/81/10/588708110.db2.gz VMXOOBSEZIEGFF-MNOVXSKESA-N 2 0 242.367 -0.667 20 0 BBADRP CC[NH+](CC)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852854283 588708641 /nfs/dbraw/zinc/70/86/41/588708641.db2.gz CAJZZXGKEDTETO-SECBINFHSA-N 2 0 242.323 -0.452 20 0 BBADRP CC[NH+](CC)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852854284 588708660 /nfs/dbraw/zinc/70/86/60/588708660.db2.gz CAJZZXGKEDTETO-VIFPVBQESA-N 2 0 242.323 -0.452 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852854642 588708507 /nfs/dbraw/zinc/70/85/07/588708507.db2.gz LTZDJLRMYLZYTO-MRVPVSSYSA-N 2 0 242.323 -0.454 20 0 BBADRP C[NH+](C)C(C)(C)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852854643 588708710 /nfs/dbraw/zinc/70/87/10/588708710.db2.gz LTZDJLRMYLZYTO-QMMMGPOBSA-N 2 0 242.323 -0.454 20 0 BBADRP C[NH+]1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852854785 588708541 /nfs/dbraw/zinc/70/85/41/588708541.db2.gz PSTHCEPZJLOHAP-SECBINFHSA-N 2 0 240.307 -0.700 20 0 BBADRP C[NH+]1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852854786 588708702 /nfs/dbraw/zinc/70/87/02/588708702.db2.gz PSTHCEPZJLOHAP-VIFPVBQESA-N 2 0 240.307 -0.700 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NCC[NH+]2CCCC2)=NO1 ZINC000852856012 588708652 /nfs/dbraw/zinc/70/86/52/588708652.db2.gz SFBKSAHSFSDXLS-SECBINFHSA-N 2 0 240.307 -0.698 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NCC[NH+]2CCCC2)=NO1 ZINC000852856014 588708505 /nfs/dbraw/zinc/70/85/05/588708505.db2.gz SFBKSAHSFSDXLS-VIFPVBQESA-N 2 0 240.307 -0.698 20 0 BBADRP C[NH+](C)CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852856455 583021077 /nfs/dbraw/zinc/02/10/77/583021077.db2.gz QOAFUNXKMVEPDP-MRVPVSSYSA-N 2 0 228.296 -0.842 20 0 BBADRP C[NH+](C)CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852856456 583021171 /nfs/dbraw/zinc/02/11/71/583021171.db2.gz QOAFUNXKMVEPDP-QMMMGPOBSA-N 2 0 228.296 -0.842 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852858787 588708727 /nfs/dbraw/zinc/70/87/27/588708727.db2.gz HFAQHIQHAZBOKB-BOBPJJCASA-N 2 0 227.283 -0.362 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]1(F)CC[NH2+]C1 ZINC000852858788 588708887 /nfs/dbraw/zinc/70/88/87/588708887.db2.gz HFAQHIQHAZBOKB-RFBVYIQQSA-N 2 0 227.283 -0.362 20 0 BBADRP C[NH+](C)CCCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852858805 588708786 /nfs/dbraw/zinc/70/87/86/588708786.db2.gz HZGWBNZIDYCBAV-SECBINFHSA-N 2 0 242.323 -0.452 20 0 BBADRP C[NH+](C)CCCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852858806 588709009 /nfs/dbraw/zinc/70/90/09/588709009.db2.gz HZGWBNZIDYCBAV-VIFPVBQESA-N 2 0 242.323 -0.452 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852859022 588708883 /nfs/dbraw/zinc/70/88/83/588708883.db2.gz MGQDYYADEHKGJG-BDAKNGLRSA-N 2 0 240.307 -0.842 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852859023 588708791 /nfs/dbraw/zinc/70/87/91/588708791.db2.gz MGQDYYADEHKGJG-DTWKUNHWSA-N 2 0 240.307 -0.842 20 0 BBADRP C[N@@H+]1CC[C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852859024 588708937 /nfs/dbraw/zinc/70/89/37/588708937.db2.gz MGQDYYADEHKGJG-IUCAKERBSA-N 2 0 240.307 -0.842 20 0 BBADRP C[N@@H+]1CC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852859025 588708861 /nfs/dbraw/zinc/70/88/61/588708861.db2.gz MGQDYYADEHKGJG-RKDXNWHRSA-N 2 0 240.307 -0.842 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852861851 588709270 /nfs/dbraw/zinc/70/92/70/588709270.db2.gz LEPXIZQLYPABLD-BDAKNGLRSA-N 2 0 240.307 -0.700 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852861852 588709104 /nfs/dbraw/zinc/70/91/04/588709104.db2.gz LEPXIZQLYPABLD-DTWKUNHWSA-N 2 0 240.307 -0.700 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852861853 588709066 /nfs/dbraw/zinc/70/90/66/588709066.db2.gz LEPXIZQLYPABLD-IUCAKERBSA-N 2 0 240.307 -0.700 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852861854 583021308 /nfs/dbraw/zinc/02/13/08/583021308.db2.gz LEPXIZQLYPABLD-RKDXNWHRSA-N 2 0 240.307 -0.700 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852862155 588709062 /nfs/dbraw/zinc/70/90/62/588709062.db2.gz VDJDTWCNQKEZHE-BDAKNGLRSA-N 2 0 240.307 -0.700 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852862156 588709220 /nfs/dbraw/zinc/70/92/20/588709220.db2.gz VDJDTWCNQKEZHE-DTWKUNHWSA-N 2 0 240.307 -0.700 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852862157 588709242 /nfs/dbraw/zinc/70/92/42/588709242.db2.gz VDJDTWCNQKEZHE-IUCAKERBSA-N 2 0 240.307 -0.700 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852862158 583021277 /nfs/dbraw/zinc/02/12/77/583021277.db2.gz VDJDTWCNQKEZHE-RKDXNWHRSA-N 2 0 240.307 -0.700 20 0 BBADRP C[N@H+](CCNC(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852862884 588709047 /nfs/dbraw/zinc/70/90/47/588709047.db2.gz MGWAPOAGAVPKCY-SECBINFHSA-N 2 0 240.307 -0.700 20 0 BBADRP C[N@H+](CCNC(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852862885 588709083 /nfs/dbraw/zinc/70/90/83/588709083.db2.gz MGWAPOAGAVPKCY-VIFPVBQESA-N 2 0 240.307 -0.700 20 0 BBADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852863956 588709281 /nfs/dbraw/zinc/70/92/81/588709281.db2.gz LYVXRCDSFOBLFN-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852863985 588709200 /nfs/dbraw/zinc/70/92/00/588709200.db2.gz LYVXRCDSFOBLFN-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852864602 588709549 /nfs/dbraw/zinc/70/95/49/588709549.db2.gz BHQGFAYWSPDSLR-SECBINFHSA-N 2 0 242.323 -0.454 20 0 BBADRP CC(C)[N@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852864603 588709656 /nfs/dbraw/zinc/70/96/56/588709656.db2.gz BHQGFAYWSPDSLR-VIFPVBQESA-N 2 0 242.323 -0.454 20 0 BBADRP CC[N@H+](CCNC(=O)C1(O)C[NH2+]C1)C(C)C ZINC000852864994 588709569 /nfs/dbraw/zinc/70/95/69/588709569.db2.gz OOKHMPHQQBIMGM-UHFFFAOYSA-N 2 0 229.324 -0.833 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@]1(F)CC[NH2+]C1 ZINC000852865536 588709676 /nfs/dbraw/zinc/70/96/76/588709676.db2.gz GVPOXUHTAFKXKI-BOBPJJCASA-N 2 0 227.283 -0.444 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@]1(F)CC[NH2+]C1 ZINC000852865537 588709395 /nfs/dbraw/zinc/70/93/95/588709395.db2.gz GVPOXUHTAFKXKI-RFBVYIQQSA-N 2 0 227.283 -0.444 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000852865561 588709574 /nfs/dbraw/zinc/70/95/74/588709574.db2.gz HZIIFQQTFQGTGE-QTZUAFFRSA-N 2 0 223.320 -0.005 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000852865562 588709579 /nfs/dbraw/zinc/70/95/79/588709579.db2.gz HZIIFQQTFQGTGE-YDNLMGDJSA-N 2 0 223.320 -0.005 20 0 BBADRP [NH3+][C@@H](CC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000852865861 588709441 /nfs/dbraw/zinc/70/94/41/588709441.db2.gz QEXFJKODYKBREM-BSTRBVHOSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+][C@H](CC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000852865862 588709516 /nfs/dbraw/zinc/70/95/16/588709516.db2.gz QEXFJKODYKBREM-KRBLXSNTSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[C@H]1F ZINC000852870775 588709648 /nfs/dbraw/zinc/70/96/48/588709648.db2.gz XTIOXIYTZUZDFI-MRTMQBJTSA-N 2 0 233.262 -0.414 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[C@H]1F ZINC000852870776 588709518 /nfs/dbraw/zinc/70/95/18/588709518.db2.gz XTIOXIYTZUZDFI-NQMVMOMDSA-N 2 0 233.262 -0.414 20 0 BBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000852871054 588709547 /nfs/dbraw/zinc/70/95/47/588709547.db2.gz JTGFUJKHMYOXIM-NXEZZACHSA-N 2 0 241.335 -0.690 20 0 BBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000852871056 588709368 /nfs/dbraw/zinc/70/93/68/588709368.db2.gz JTGFUJKHMYOXIM-UWVGGRQHSA-N 2 0 241.335 -0.690 20 0 BBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000852871058 588709397 /nfs/dbraw/zinc/70/93/97/588709397.db2.gz JTGFUJKHMYOXIM-VHSXEESVSA-N 2 0 241.335 -0.690 20 0 BBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2(O)C[NH2+]C2)C1 ZINC000852871060 583021876 /nfs/dbraw/zinc/02/18/76/583021876.db2.gz JTGFUJKHMYOXIM-ZJUUUORDSA-N 2 0 241.335 -0.690 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H](C)C[NH2+]1 ZINC000852874139 588709805 /nfs/dbraw/zinc/70/98/05/588709805.db2.gz IAIMTEISOFDVKM-HLTSFMKQSA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000852874140 588709948 /nfs/dbraw/zinc/70/99/48/588709948.db2.gz IAIMTEISOFDVKM-HRDYMLBCSA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C)C[NH2+]1 ZINC000852874141 588709813 /nfs/dbraw/zinc/70/98/13/588709813.db2.gz IAIMTEISOFDVKM-IWSPIJDZSA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000852874142 588709750 /nfs/dbraw/zinc/70/97/50/588709750.db2.gz IAIMTEISOFDVKM-VGMNWLOBSA-N 2 0 240.307 -0.701 20 0 BBADRP COCC[NH2+]CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852874359 588709816 /nfs/dbraw/zinc/70/98/16/588709816.db2.gz OPHOTIGPAXVGNY-UHFFFAOYSA-N 2 0 241.335 -0.352 20 0 BBADRP CCC[NH2+]CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852874414 588709781 /nfs/dbraw/zinc/70/97/81/588709781.db2.gz OYMRSKZAZFWQOK-MRVPVSSYSA-N 2 0 228.296 -0.794 20 0 BBADRP CCC[NH2+]CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852874415 588709961 /nfs/dbraw/zinc/70/99/61/588709961.db2.gz OYMRSKZAZFWQOK-QMMMGPOBSA-N 2 0 228.296 -0.794 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852874535 588709905 /nfs/dbraw/zinc/70/99/05/588709905.db2.gz RDRWTYGFKIBWHN-BDAKNGLRSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852874536 588709739 /nfs/dbraw/zinc/70/97/39/588709739.db2.gz RDRWTYGFKIBWHN-DTWKUNHWSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000852874538 588709683 /nfs/dbraw/zinc/70/96/83/588709683.db2.gz RDRWTYGFKIBWHN-IUCAKERBSA-N 2 0 215.297 -0.972 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852874539 588709715 /nfs/dbraw/zinc/70/97/15/588709715.db2.gz RDRWTYGFKIBWHN-RKDXNWHRSA-N 2 0 215.297 -0.972 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852874606 588709779 /nfs/dbraw/zinc/70/97/79/588709779.db2.gz SJLODLORLRNTFY-HLTSFMKQSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852874608 588709748 /nfs/dbraw/zinc/70/97/48/588709748.db2.gz SJLODLORLRNTFY-HRDYMLBCSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852874610 588709710 /nfs/dbraw/zinc/70/97/10/588709710.db2.gz SJLODLORLRNTFY-IWSPIJDZSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852874611 588709923 /nfs/dbraw/zinc/70/99/23/588709923.db2.gz SJLODLORLRNTFY-VGMNWLOBSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852875005 588710146 /nfs/dbraw/zinc/71/01/46/588710146.db2.gz PTMLFKHGRIOIKP-CIUDSAMLSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852875006 588710011 /nfs/dbraw/zinc/71/00/11/588710011.db2.gz PTMLFKHGRIOIKP-DJLDLDEBSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852875008 588709986 /nfs/dbraw/zinc/70/99/86/588709986.db2.gz PTMLFKHGRIOIKP-XHNCKOQMSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852875010 588710079 /nfs/dbraw/zinc/71/00/79/588710079.db2.gz PTMLFKHGRIOIKP-YIZRAAEISA-N 2 0 240.307 -0.714 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NCC2([NH3+])CCC2)=NO1 ZINC000852875774 588710015 /nfs/dbraw/zinc/71/00/15/588710015.db2.gz PHEKYUMCOZLTRE-SSDOTTSWSA-N 2 0 226.280 -0.912 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NCC2([NH3+])CCC2)=NO1 ZINC000852875775 588710174 /nfs/dbraw/zinc/71/01/74/588710174.db2.gz PHEKYUMCOZLTRE-ZETCQYMHSA-N 2 0 226.280 -0.912 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)CCO1 ZINC000852876209 588710099 /nfs/dbraw/zinc/71/00/99/588710099.db2.gz FDLGXDIKUOSXSV-LLVKDONJSA-N 2 0 239.319 -0.518 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)CCO1 ZINC000852876210 588710271 /nfs/dbraw/zinc/71/02/71/588710271.db2.gz FDLGXDIKUOSXSV-NSHDSACASA-N 2 0 239.319 -0.518 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NCC2=CC[NH2+]CC2)=NO1 ZINC000852876240 588710176 /nfs/dbraw/zinc/71/01/76/588710176.db2.gz GJWSISJMODYUEL-SECBINFHSA-N 2 0 238.291 -0.874 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NCC2=CC[NH2+]CC2)=NO1 ZINC000852876241 588710279 /nfs/dbraw/zinc/71/02/79/588710279.db2.gz GJWSISJMODYUEL-VIFPVBQESA-N 2 0 238.291 -0.874 20 0 BBADRP C[N@@H+]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852876335 588710459 /nfs/dbraw/zinc/71/04/59/588710459.db2.gz YSAOOVPNYBPUAK-SECBINFHSA-N 2 0 240.307 -0.746 20 0 BBADRP C[N@@H+]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852876336 588710576 /nfs/dbraw/zinc/71/05/76/588710576.db2.gz YSAOOVPNYBPUAK-VIFPVBQESA-N 2 0 240.307 -0.746 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852876776 588710500 /nfs/dbraw/zinc/71/05/00/588710500.db2.gz SERZGBCEWKPJKT-KHQFGBGNSA-N 2 0 240.307 -0.796 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852876777 583020909 /nfs/dbraw/zinc/02/09/09/583020909.db2.gz SERZGBCEWKPJKT-MRTMQBJTSA-N 2 0 240.307 -0.796 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852876778 583021185 /nfs/dbraw/zinc/02/11/85/583021185.db2.gz SERZGBCEWKPJKT-NQMVMOMDSA-N 2 0 240.307 -0.796 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852876779 583021143 /nfs/dbraw/zinc/02/11/43/583021143.db2.gz SERZGBCEWKPJKT-WEDXCCLWSA-N 2 0 240.307 -0.796 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H]1C ZINC000852877602 588710566 /nfs/dbraw/zinc/71/05/66/588710566.db2.gz BTDHJAVLVKJHGJ-CIUDSAMLSA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852877603 588710427 /nfs/dbraw/zinc/71/04/27/588710427.db2.gz BTDHJAVLVKJHGJ-DJLDLDEBSA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H]1C ZINC000852877604 588710432 /nfs/dbraw/zinc/71/04/32/588710432.db2.gz BTDHJAVLVKJHGJ-XHNCKOQMSA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852877605 588710569 /nfs/dbraw/zinc/71/05/69/588710569.db2.gz BTDHJAVLVKJHGJ-YIZRAAEISA-N 2 0 240.307 -0.701 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852877694 588710482 /nfs/dbraw/zinc/71/04/82/588710482.db2.gz JJEFSBHOSVPOOF-GZMMTYOYSA-N 2 0 240.307 -0.713 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852877695 588710355 /nfs/dbraw/zinc/71/03/55/588710355.db2.gz JJEFSBHOSVPOOF-KCJUWKMLSA-N 2 0 240.307 -0.713 20 0 BBADRP C[C@@]1(C[NH3+])CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852877696 588710489 /nfs/dbraw/zinc/71/04/89/588710489.db2.gz JJEFSBHOSVPOOF-KWQFWETISA-N 2 0 240.307 -0.713 20 0 BBADRP C[C@]1(C[NH3+])CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852877697 588710348 /nfs/dbraw/zinc/71/03/48/588710348.db2.gz JJEFSBHOSVPOOF-LDYMZIIASA-N 2 0 240.307 -0.713 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852878112 588710518 /nfs/dbraw/zinc/71/05/18/588710518.db2.gz IKSDTPROYRQMBL-HLTSFMKQSA-N 2 0 240.307 -0.796 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852878113 588710363 /nfs/dbraw/zinc/71/03/63/588710363.db2.gz IKSDTPROYRQMBL-HRDYMLBCSA-N 2 0 240.307 -0.796 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852878114 588710324 /nfs/dbraw/zinc/71/03/24/588710324.db2.gz IKSDTPROYRQMBL-IWSPIJDZSA-N 2 0 240.307 -0.796 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852878115 588710502 /nfs/dbraw/zinc/71/05/02/588710502.db2.gz IKSDTPROYRQMBL-VGMNWLOBSA-N 2 0 240.307 -0.796 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)=NO1 ZINC000852878433 588710801 /nfs/dbraw/zinc/71/08/01/588710801.db2.gz KSZNIBOQVQEFTQ-CIUDSAMLSA-N 2 0 240.307 -0.524 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)=NO1 ZINC000852878434 588710696 /nfs/dbraw/zinc/71/06/96/588710696.db2.gz KSZNIBOQVQEFTQ-HLTSFMKQSA-N 2 0 240.307 -0.524 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)=NO1 ZINC000852878435 588710627 /nfs/dbraw/zinc/71/06/27/588710627.db2.gz KSZNIBOQVQEFTQ-VGMNWLOBSA-N 2 0 240.307 -0.524 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)=NO1 ZINC000852878436 588710749 /nfs/dbraw/zinc/71/07/49/588710749.db2.gz KSZNIBOQVQEFTQ-YIZRAAEISA-N 2 0 240.307 -0.524 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000852878740 588710623 /nfs/dbraw/zinc/71/06/23/588710623.db2.gz NRGXLGZIGOJVBB-HLTSFMKQSA-N 2 0 240.307 -0.653 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000852878741 588710764 /nfs/dbraw/zinc/71/07/64/588710764.db2.gz NRGXLGZIGOJVBB-HRDYMLBCSA-N 2 0 240.307 -0.653 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000852878742 588710647 /nfs/dbraw/zinc/71/06/47/588710647.db2.gz NRGXLGZIGOJVBB-IWSPIJDZSA-N 2 0 240.307 -0.653 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000852878743 588710759 /nfs/dbraw/zinc/71/07/59/588710759.db2.gz NRGXLGZIGOJVBB-VGMNWLOBSA-N 2 0 240.307 -0.653 20 0 BBADRP CC1(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC000852878824 588710741 /nfs/dbraw/zinc/71/07/41/588710741.db2.gz PVSSNQOSWSBXBW-MRVPVSSYSA-N 2 0 240.307 -0.652 20 0 BBADRP CC1(NC(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC000852878825 588710649 /nfs/dbraw/zinc/71/06/49/588710649.db2.gz PVSSNQOSWSBXBW-QMMMGPOBSA-N 2 0 240.307 -0.652 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCC[NH2+]CC2)=NO1 ZINC000852878828 588710815 /nfs/dbraw/zinc/71/08/15/588710815.db2.gz PZXZCMALNBXVPQ-BDAKNGLRSA-N 2 0 240.307 -0.652 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CCC[NH2+]CC2)=NO1 ZINC000852878829 588710825 /nfs/dbraw/zinc/71/08/25/588710825.db2.gz PZXZCMALNBXVPQ-DTWKUNHWSA-N 2 0 240.307 -0.652 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCC[NH2+]CC2)=NO1 ZINC000852878830 588710703 /nfs/dbraw/zinc/71/07/03/588710703.db2.gz PZXZCMALNBXVPQ-IUCAKERBSA-N 2 0 240.307 -0.652 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCC[NH2+]CC2)=NO1 ZINC000852878831 583021831 /nfs/dbraw/zinc/02/18/31/583021831.db2.gz PZXZCMALNBXVPQ-RKDXNWHRSA-N 2 0 240.307 -0.652 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852878885 588710677 /nfs/dbraw/zinc/71/06/77/588710677.db2.gz RZAAJVIIGAVEMT-HTQZYQBOSA-N 2 0 228.296 -0.796 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852878886 588710655 /nfs/dbraw/zinc/71/06/55/588710655.db2.gz RZAAJVIIGAVEMT-SFYZADRCSA-N 2 0 228.296 -0.796 20 0 BBADRP CC1([NH3+])CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852879235 588710689 /nfs/dbraw/zinc/71/06/89/588710689.db2.gz SWJRMESLAKYUGY-MRVPVSSYSA-N 2 0 240.307 -0.570 20 0 BBADRP CC1([NH3+])CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852879236 588710616 /nfs/dbraw/zinc/71/06/16/588710616.db2.gz SWJRMESLAKYUGY-QMMMGPOBSA-N 2 0 240.307 -0.570 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852879519 588710709 /nfs/dbraw/zinc/71/07/09/588710709.db2.gz WRMLLBCCUCDTEA-CIUDSAMLSA-N 2 0 240.307 -0.653 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852879522 583021991 /nfs/dbraw/zinc/02/19/91/583021991.db2.gz WRMLLBCCUCDTEA-YIZRAAEISA-N 2 0 240.307 -0.653 20 0 BBADRP C[NH+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852879753 588710780 /nfs/dbraw/zinc/71/07/80/588710780.db2.gz HDJDNNRKVIALBU-UHFFFAOYSA-N 2 0 211.309 -0.026 20 0 BBADRP O=C(C=C1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000852879845 588710753 /nfs/dbraw/zinc/71/07/53/588710753.db2.gz ZUCHJAVOTFGFBD-TXEJJXNPSA-N 2 0 235.331 -0.026 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852879904 588710654 /nfs/dbraw/zinc/71/06/54/588710654.db2.gz YDEYWJNOBAHSMX-POYBYMJQSA-N 2 0 239.241 -0.008 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852879906 588709951 /nfs/dbraw/zinc/70/99/51/588709951.db2.gz YDEYWJNOBAHSMX-XPUUQOCRSA-N 2 0 239.241 -0.008 20 0 BBADRP O=C(C=C1CC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000852880698 588710878 /nfs/dbraw/zinc/71/08/78/588710878.db2.gz DJXDYMULSUBGAZ-IAZYJMLFSA-N 2 0 221.304 -0.370 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852881058 588710839 /nfs/dbraw/zinc/71/08/39/588710839.db2.gz GTILHUZPTOPDLG-MRVPVSSYSA-N 2 0 242.323 -0.276 20 0 BBADRP CC(C)(CCC[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852881059 588710969 /nfs/dbraw/zinc/71/09/69/588710969.db2.gz GTILHUZPTOPDLG-QMMMGPOBSA-N 2 0 242.323 -0.276 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852881280 588710993 /nfs/dbraw/zinc/71/09/93/588710993.db2.gz JFFLVRJIJWRVAM-HTQZYQBOSA-N 2 0 228.296 -0.666 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852881281 588711049 /nfs/dbraw/zinc/71/10/49/588711049.db2.gz JFFLVRJIJWRVAM-JGVFFNPUSA-N 2 0 228.296 -0.666 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852881282 588711010 /nfs/dbraw/zinc/71/10/10/588711010.db2.gz JFFLVRJIJWRVAM-SFYZADRCSA-N 2 0 228.296 -0.666 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852881283 588710448 /nfs/dbraw/zinc/71/04/48/588710448.db2.gz JFFLVRJIJWRVAM-YUMQZZPRSA-N 2 0 228.296 -0.666 20 0 BBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C1CC([NH3+])C1 ZINC000852881611 588711054 /nfs/dbraw/zinc/71/10/54/588711054.db2.gz NVIBHCCRIXPQTD-KAVNDROISA-N 2 0 226.280 -0.962 20 0 BBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)C1CC([NH3+])C1 ZINC000852881613 588710798 /nfs/dbraw/zinc/71/07/98/588710798.db2.gz NVIBHCCRIXPQTD-RRQHEKLDSA-N 2 0 226.280 -0.962 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000852881875 588710827 /nfs/dbraw/zinc/71/08/27/588710827.db2.gz RMOBCQGIANIYFC-BWZBUEFSSA-N 2 0 233.262 -0.163 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000852881876 588710875 /nfs/dbraw/zinc/71/08/75/588710875.db2.gz RMOBCQGIANIYFC-FXQIFTODSA-N 2 0 233.262 -0.163 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852882066 588710972 /nfs/dbraw/zinc/71/09/72/588710972.db2.gz XCCMDAQAAFSPLJ-BDAKNGLRSA-N 2 0 242.323 -0.276 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852882067 588711098 /nfs/dbraw/zinc/71/10/98/588711098.db2.gz XCCMDAQAAFSPLJ-DTWKUNHWSA-N 2 0 242.323 -0.276 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852882068 588710879 /nfs/dbraw/zinc/71/08/79/588710879.db2.gz XCCMDAQAAFSPLJ-IUCAKERBSA-N 2 0 242.323 -0.276 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852882069 588711074 /nfs/dbraw/zinc/71/10/74/588711074.db2.gz XCCMDAQAAFSPLJ-RKDXNWHRSA-N 2 0 242.323 -0.276 20 0 BBADRP [NH3+]C1(CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000852882122 588711102 /nfs/dbraw/zinc/71/11/02/588711102.db2.gz YIYJQHQRJUUFBT-SSDOTTSWSA-N 2 0 233.262 -0.019 20 0 BBADRP [NH3+]C1(CC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000852882123 588711100 /nfs/dbraw/zinc/71/11/00/588711100.db2.gz YIYJQHQRJUUFBT-ZETCQYMHSA-N 2 0 233.262 -0.019 20 0 BBADRP CC1(C)CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000852882344 588711279 /nfs/dbraw/zinc/71/12/79/588711279.db2.gz DPMNUZRAFIHPNC-MRVPVSSYSA-N 2 0 240.307 -0.700 20 0 BBADRP CC1(C)CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000852882345 588711199 /nfs/dbraw/zinc/71/11/99/588711199.db2.gz DPMNUZRAFIHPNC-QMMMGPOBSA-N 2 0 240.307 -0.700 20 0 BBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C1(C[NH3+])CCC1 ZINC000852882385 588711315 /nfs/dbraw/zinc/71/13/15/588711315.db2.gz FUWHGJXIQJAUJD-MRVPVSSYSA-N 2 0 240.307 -0.570 20 0 BBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)C1(C[NH3+])CCC1 ZINC000852882386 588711322 /nfs/dbraw/zinc/71/13/22/588711322.db2.gz FUWHGJXIQJAUJD-QMMMGPOBSA-N 2 0 240.307 -0.570 20 0 BBADRP [NH3+]C1(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000852882747 588711329 /nfs/dbraw/zinc/71/13/29/588711329.db2.gz PKJRBMXMRVAPGG-BDAKNGLRSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852882785 588711127 /nfs/dbraw/zinc/71/11/27/588711127.db2.gz QGPQAGOTXHJOQK-HLTSFMKQSA-N 2 0 240.307 -0.666 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852882786 588711245 /nfs/dbraw/zinc/71/12/45/588711245.db2.gz QGPQAGOTXHJOQK-HRDYMLBCSA-N 2 0 240.307 -0.666 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852882788 588711326 /nfs/dbraw/zinc/71/13/26/588711326.db2.gz QGPQAGOTXHJOQK-IWSPIJDZSA-N 2 0 240.307 -0.666 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852882790 588711228 /nfs/dbraw/zinc/71/12/28/588711228.db2.gz QGPQAGOTXHJOQK-VGMNWLOBSA-N 2 0 240.307 -0.666 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852882926 588711352 /nfs/dbraw/zinc/71/13/52/588711352.db2.gz SNNCFCYRRZUMSG-APPZFPTMSA-N 2 0 240.307 -0.653 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852882927 588711255 /nfs/dbraw/zinc/71/12/55/588711255.db2.gz SNNCFCYRRZUMSG-CBAPKCEASA-N 2 0 240.307 -0.653 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852882928 588711274 /nfs/dbraw/zinc/71/12/74/588711274.db2.gz SNNCFCYRRZUMSG-IONNQARKSA-N 2 0 240.307 -0.653 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852882929 588711239 /nfs/dbraw/zinc/71/12/39/588711239.db2.gz SNNCFCYRRZUMSG-VXNVDRBHSA-N 2 0 240.307 -0.653 20 0 BBADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000852883558 588711276 /nfs/dbraw/zinc/71/12/76/588711276.db2.gz ZFMGGODPNHKLRT-KYXWUPHJSA-N 2 0 209.293 -0.456 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852891311 588711435 /nfs/dbraw/zinc/71/14/35/588711435.db2.gz PSQQWEFGUNCGIQ-FXQIFTODSA-N 2 0 226.280 -0.962 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852891312 588711426 /nfs/dbraw/zinc/71/14/26/588711426.db2.gz PSQQWEFGUNCGIQ-RNJXMRFFSA-N 2 0 226.280 -0.962 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852891313 588711458 /nfs/dbraw/zinc/71/14/58/588711458.db2.gz PTHOMGUGNSZYGG-APPZFPTMSA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852891314 588711523 /nfs/dbraw/zinc/71/15/23/588711523.db2.gz PTHOMGUGNSZYGG-CBAPKCEASA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852891315 588711538 /nfs/dbraw/zinc/71/15/38/588711538.db2.gz PTHOMGUGNSZYGG-IONNQARKSA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852891316 588711636 /nfs/dbraw/zinc/71/16/36/588711636.db2.gz PTHOMGUGNSZYGG-VXNVDRBHSA-N 2 0 242.323 -0.420 20 0 BBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H](C[NH3+])C1CC1 ZINC000852891349 588711615 /nfs/dbraw/zinc/71/16/15/588711615.db2.gz QLPMEGLLNNTTBE-PSASIEDQSA-N 2 0 240.307 -0.714 20 0 BBADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H](C[NH3+])C1CC1 ZINC000852891350 588711573 /nfs/dbraw/zinc/71/15/73/588711573.db2.gz QLPMEGLLNNTTBE-SCZZXKLOSA-N 2 0 240.307 -0.714 20 0 BBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H](C[NH3+])C1CC1 ZINC000852891351 588711639 /nfs/dbraw/zinc/71/16/39/588711639.db2.gz QLPMEGLLNNTTBE-WCBMZHEXSA-N 2 0 240.307 -0.714 20 0 BBADRP CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H](C[NH3+])C1CC1 ZINC000852891352 588711440 /nfs/dbraw/zinc/71/14/40/588711440.db2.gz QLPMEGLLNNTTBE-WPRPVWTQSA-N 2 0 240.307 -0.714 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852892456 588711679 /nfs/dbraw/zinc/71/16/79/588711679.db2.gz GSVYCDDXMJDJOG-BIIVOSGPSA-N 2 0 228.296 -0.668 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852892459 588711718 /nfs/dbraw/zinc/71/17/18/588711718.db2.gz GSVYCDDXMJDJOG-FXQIFTODSA-N 2 0 228.296 -0.668 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852892460 588711841 /nfs/dbraw/zinc/71/18/41/588711841.db2.gz GSVYCDDXMJDJOG-RNJXMRFFSA-N 2 0 228.296 -0.668 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852892461 588711761 /nfs/dbraw/zinc/71/17/61/588711761.db2.gz GSVYCDDXMJDJOG-XLPZGREQSA-N 2 0 228.296 -0.668 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852892739 588711736 /nfs/dbraw/zinc/71/17/36/588711736.db2.gz JUNXNAIYSGTZKY-SSDOTTSWSA-N 2 0 228.296 -0.666 20 0 BBADRP CC(C)(CC[NH3+])NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852892740 588711483 /nfs/dbraw/zinc/71/14/83/588711483.db2.gz JUNXNAIYSGTZKY-ZETCQYMHSA-N 2 0 228.296 -0.666 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])=NO1 ZINC000852893583 588711758 /nfs/dbraw/zinc/71/17/58/588711758.db2.gz OQQKROIBUPETBE-DJLDLDEBSA-N 2 0 240.307 -0.524 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])=NO1 ZINC000852893584 588711673 /nfs/dbraw/zinc/71/16/73/588711673.db2.gz OQQKROIBUPETBE-IWSPIJDZSA-N 2 0 240.307 -0.524 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852893600 588711675 /nfs/dbraw/zinc/71/16/75/588711675.db2.gz YLAMDHGJAWEBRT-MRVPVSSYSA-N 2 0 228.296 -0.842 20 0 BBADRP C[NH2+]CCCN(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852893601 588711677 /nfs/dbraw/zinc/71/16/77/588711677.db2.gz YLAMDHGJAWEBRT-QMMMGPOBSA-N 2 0 228.296 -0.842 20 0 BBADRP [NH3+]CCCCCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852894815 588711907 /nfs/dbraw/zinc/71/19/07/588711907.db2.gz OSHWQOPAJDYGDI-SECBINFHSA-N 2 0 242.323 -0.275 20 0 BBADRP [NH3+]CCCCCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852894816 588711993 /nfs/dbraw/zinc/71/19/93/588711993.db2.gz OSHWQOPAJDYGDI-VIFPVBQESA-N 2 0 242.323 -0.275 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NCCC[NH2+]C2CC2)=NO1 ZINC000852894996 588711916 /nfs/dbraw/zinc/71/19/16/588711916.db2.gz QBZYAOIFZCTTPZ-SECBINFHSA-N 2 0 240.307 -0.652 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NCCC[NH2+]C2CC2)=NO1 ZINC000852894997 588712095 /nfs/dbraw/zinc/71/20/95/588712095.db2.gz QBZYAOIFZCTTPZ-VIFPVBQESA-N 2 0 240.307 -0.652 20 0 BBADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852895499 588712044 /nfs/dbraw/zinc/71/20/44/588712044.db2.gz ZIRNCWUGWHAOJO-GHMZBOCLSA-N 2 0 243.351 -0.015 20 0 BBADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852895500 588711999 /nfs/dbraw/zinc/71/19/99/588711999.db2.gz ZIRNCWUGWHAOJO-MNOVXSKESA-N 2 0 243.351 -0.015 20 0 BBADRP [NH3+]CCCCCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000852895501 588712106 /nfs/dbraw/zinc/71/21/06/588712106.db2.gz ZIRNCWUGWHAOJO-QWRGUYRKSA-N 2 0 243.351 -0.015 20 0 BBADRP [NH3+]CCCCCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852895502 588711964 /nfs/dbraw/zinc/71/19/64/588711964.db2.gz ZIRNCWUGWHAOJO-WDEREUQCSA-N 2 0 243.351 -0.015 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NCCC2(C[NH3+])CC2)=NO1 ZINC000852895887 588712139 /nfs/dbraw/zinc/71/21/39/588712139.db2.gz LUTGAEITHIBQRS-MRVPVSSYSA-N 2 0 240.307 -0.665 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NCCC2(C[NH3+])CC2)=NO1 ZINC000852895888 588712062 /nfs/dbraw/zinc/71/20/62/588712062.db2.gz LUTGAEITHIBQRS-QMMMGPOBSA-N 2 0 240.307 -0.665 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852896538 588711930 /nfs/dbraw/zinc/71/19/30/588711930.db2.gz DDCWJPZDFCLDIJ-HLTSFMKQSA-N 2 0 240.307 -0.572 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852896539 588711981 /nfs/dbraw/zinc/71/19/81/588711981.db2.gz DDCWJPZDFCLDIJ-HRDYMLBCSA-N 2 0 240.307 -0.572 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852896540 588711956 /nfs/dbraw/zinc/71/19/56/588711956.db2.gz DDCWJPZDFCLDIJ-IWSPIJDZSA-N 2 0 240.307 -0.572 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852896541 588711991 /nfs/dbraw/zinc/71/19/91/588711991.db2.gz DDCWJPZDFCLDIJ-VGMNWLOBSA-N 2 0 240.307 -0.572 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852898296 588712216 /nfs/dbraw/zinc/71/22/16/588712216.db2.gz KBYUZFGEWHQCFO-SSDOTTSWSA-N 2 0 228.296 -0.714 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852898298 588712317 /nfs/dbraw/zinc/71/23/17/588712317.db2.gz KBYUZFGEWHQCFO-ZETCQYMHSA-N 2 0 228.296 -0.714 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000852898631 588712201 /nfs/dbraw/zinc/71/22/01/588712201.db2.gz MXWJLCOJNTYAHT-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000852898632 588712367 /nfs/dbraw/zinc/71/23/67/588712367.db2.gz MXWJLCOJNTYAHT-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[NH2+]CC(=O)NCCN(C)CCC[NH+](C)C ZINC000852902388 588712632 /nfs/dbraw/zinc/71/26/32/588712632.db2.gz FABMGHHOZIXOGO-UHFFFAOYSA-N 2 0 244.383 -0.404 20 0 BBADRP C[C@H](CCNC(=O)C1=NO[C@H](C[NH3+])C1)[NH+](C)C ZINC000852902614 588712526 /nfs/dbraw/zinc/71/25/26/588712526.db2.gz KCJRZVSPVBLATM-BDAKNGLRSA-N 2 0 242.323 -0.454 20 0 BBADRP C[C@@H](CCNC(=O)C1=NO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000852902615 588712707 /nfs/dbraw/zinc/71/27/07/588712707.db2.gz KCJRZVSPVBLATM-DTWKUNHWSA-N 2 0 242.323 -0.454 20 0 BBADRP C[C@@H](CCNC(=O)C1=NO[C@H](C[NH3+])C1)[NH+](C)C ZINC000852902616 588712518 /nfs/dbraw/zinc/71/25/18/588712518.db2.gz KCJRZVSPVBLATM-IUCAKERBSA-N 2 0 242.323 -0.454 20 0 BBADRP C[C@H](CCNC(=O)C1=NO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000852902617 588712595 /nfs/dbraw/zinc/71/25/95/588712595.db2.gz KCJRZVSPVBLATM-RKDXNWHRSA-N 2 0 242.323 -0.454 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)NCC2([NH3+])CCCC2)=NO1 ZINC000852905738 588712669 /nfs/dbraw/zinc/71/26/69/588712669.db2.gz BFCUUXHVCRPLDQ-MRVPVSSYSA-N 2 0 240.307 -0.522 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)NCC2([NH3+])CCCC2)=NO1 ZINC000852905739 588712701 /nfs/dbraw/zinc/71/27/01/588712701.db2.gz BFCUUXHVCRPLDQ-QMMMGPOBSA-N 2 0 240.307 -0.522 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)N2CC3CC2(C[NH3+])C3)=NO1 ZINC000852908473 588712850 /nfs/dbraw/zinc/71/28/50/588712850.db2.gz HBIVEWHMDSAVGA-JKDSDDBFSA-N 2 0 238.291 -0.960 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N2CC3CC2(C[NH3+])C3)=NO1 ZINC000852908474 588712749 /nfs/dbraw/zinc/71/27/49/588712749.db2.gz HBIVEWHMDSAVGA-KAIZJQOQSA-N 2 0 238.291 -0.960 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852916884 588713227 /nfs/dbraw/zinc/71/32/27/588713227.db2.gz SHWXMDWZORMLJK-DTWKUNHWSA-N 2 0 242.323 -0.420 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852916885 588713164 /nfs/dbraw/zinc/71/31/64/588713164.db2.gz SHWXMDWZORMLJK-RKDXNWHRSA-N 2 0 242.323 -0.420 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000852919790 588713332 /nfs/dbraw/zinc/71/33/32/588713332.db2.gz CCQODFRMBCGNRV-NXEZZACHSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000852919791 588713036 /nfs/dbraw/zinc/71/30/36/588713036.db2.gz CCQODFRMBCGNRV-UWVGGRQHSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000852919792 588713109 /nfs/dbraw/zinc/71/31/09/588713109.db2.gz CCQODFRMBCGNRV-VHSXEESVSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000852919793 588713212 /nfs/dbraw/zinc/71/32/12/588713212.db2.gz CCQODFRMBCGNRV-ZJUUUORDSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000852920086 588712929 /nfs/dbraw/zinc/71/29/29/588712929.db2.gz KLIDYPOEYBQLPK-APPZFPTMSA-N 2 0 203.261 -0.588 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000852920087 588712774 /nfs/dbraw/zinc/71/27/74/588712774.db2.gz KLIDYPOEYBQLPK-CBAPKCEASA-N 2 0 203.261 -0.588 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852920088 588712905 /nfs/dbraw/zinc/71/29/05/588712905.db2.gz KLIDYPOEYBQLPK-IONNQARKSA-N 2 0 203.261 -0.588 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852920089 588712805 /nfs/dbraw/zinc/71/28/05/588712805.db2.gz KLIDYPOEYBQLPK-VXNVDRBHSA-N 2 0 203.261 -0.588 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000852920892 588713474 /nfs/dbraw/zinc/71/34/74/588713474.db2.gz HHESOEXIOFTNSR-SSDOTTSWSA-N 2 0 237.307 -0.607 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000852920894 588713296 /nfs/dbraw/zinc/71/32/96/588713296.db2.gz HHESOEXIOFTNSR-ZETCQYMHSA-N 2 0 237.307 -0.607 20 0 BBADRP C[C@@]1(NC(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000852927848 588713843 /nfs/dbraw/zinc/71/38/43/588713843.db2.gz LJJZEYFJQVCMMA-GXSJLCMTSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@]1(NC(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000852927850 588713809 /nfs/dbraw/zinc/71/38/09/588713809.db2.gz LJJZEYFJQVCMMA-KOLCDFICSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@]1(NC(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000852927853 588713913 /nfs/dbraw/zinc/71/39/13/588713913.db2.gz LJJZEYFJQVCMMA-MWLCHTKSSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@]1(NC(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000852927855 588713813 /nfs/dbraw/zinc/71/38/13/588713813.db2.gz LJJZEYFJQVCMMA-ONGXEEELSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@]1(NC(=O)CO[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000852927977 588713855 /nfs/dbraw/zinc/71/38/55/588713855.db2.gz MHDHAMRTIWFUTQ-CMPLNLGQSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@]1(NC(=O)CO[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000852927978 588713839 /nfs/dbraw/zinc/71/38/39/588713839.db2.gz MHDHAMRTIWFUTQ-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@]1(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000852927979 588713854 /nfs/dbraw/zinc/71/38/54/588713854.db2.gz MHDHAMRTIWFUTQ-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@]1(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000852927980 588713895 /nfs/dbraw/zinc/71/38/95/588713895.db2.gz MHDHAMRTIWFUTQ-ZYHUDNBSSA-N 2 0 241.335 -0.377 20 0 BBADRP C[C@@]1(NC(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]C1 ZINC000852928308 588713827 /nfs/dbraw/zinc/71/38/27/588713827.db2.gz ORIXBRLNZVMFPF-NXEZZACHSA-N 2 0 215.272 -0.444 20 0 BBADRP C[C@]1(NC(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]C1 ZINC000852928309 588713829 /nfs/dbraw/zinc/71/38/29/588713829.db2.gz ORIXBRLNZVMFPF-UWVGGRQHSA-N 2 0 215.272 -0.444 20 0 BBADRP C[C@]1(NC(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]C1 ZINC000852928310 588713762 /nfs/dbraw/zinc/71/37/62/588713762.db2.gz ORIXBRLNZVMFPF-VHSXEESVSA-N 2 0 215.272 -0.444 20 0 BBADRP C[C@@]1(NC(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]C1 ZINC000852928311 588713796 /nfs/dbraw/zinc/71/37/96/588713796.db2.gz ORIXBRLNZVMFPF-ZJUUUORDSA-N 2 0 215.272 -0.444 20 0 BBADRP C[C@@]1(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]C1 ZINC000852928996 588714055 /nfs/dbraw/zinc/71/40/55/588714055.db2.gz WCRQZYUFHAUHKS-GFCCVEGCSA-N 2 0 249.318 -0.463 20 0 BBADRP C[C@]1(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]C1 ZINC000852928997 588714015 /nfs/dbraw/zinc/71/40/15/588714015.db2.gz WCRQZYUFHAUHKS-LBPRGKRZSA-N 2 0 249.318 -0.463 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000852929879 588713944 /nfs/dbraw/zinc/71/39/44/588713944.db2.gz CRDLVCPVPYFXCJ-GZMMTYOYSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000852929880 588714053 /nfs/dbraw/zinc/71/40/53/588714053.db2.gz CRDLVCPVPYFXCJ-KCJUWKMLSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000852929881 588713962 /nfs/dbraw/zinc/71/39/62/588713962.db2.gz CRDLVCPVPYFXCJ-KWQFWETISA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000852929882 588713935 /nfs/dbraw/zinc/71/39/35/588713935.db2.gz CRDLVCPVPYFXCJ-LDYMZIIASA-N 2 0 211.309 -0.005 20 0 BBADRP C(N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@]12C[C@H]1C[NH2+]C2 ZINC000853246579 588728638 /nfs/dbraw/zinc/72/86/38/588728638.db2.gz MYWFMZAJSPZBTA-NOOOWODRSA-N 2 0 207.321 -0.110 20 0 BBADRP C(N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246582 588728428 /nfs/dbraw/zinc/72/84/28/588728428.db2.gz MYWFMZAJSPZBTA-WYUUTHIRSA-N 2 0 207.321 -0.110 20 0 BBADRP CN1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000854118479 588775103 /nfs/dbraw/zinc/77/51/03/588775103.db2.gz WKBDQYHUTMEJFW-UHFFFAOYSA-N 2 0 208.265 -0.274 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000854465964 588788562 /nfs/dbraw/zinc/78/85/62/588788562.db2.gz VIZFWOPWFYXJEC-JTQLQIEISA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000854465965 588788424 /nfs/dbraw/zinc/78/84/24/588788424.db2.gz VIZFWOPWFYXJEC-SNVBAGLBSA-N 2 0 243.351 -0.491 20 0 BBADRP CCn1cc(CCN(CC[NH3+])CCO)cn1 ZINC000857084412 588886684 /nfs/dbraw/zinc/88/66/84/588886684.db2.gz SADSGAZOQFSTBT-UHFFFAOYSA-N 2 0 226.324 -0.302 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000857102554 588887948 /nfs/dbraw/zinc/88/79/48/588887948.db2.gz HFNRWCSQMVPDIH-IUCAKERBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCCOCC[NH+](C)C ZINC000857102722 588887748 /nfs/dbraw/zinc/88/77/48/588887748.db2.gz MOUJGBFCGSYNAA-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000857103120 588887898 /nfs/dbraw/zinc/88/78/98/588887898.db2.gz BXKWSWLGSKGFEF-DTWKUNHWSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000857103121 588887768 /nfs/dbraw/zinc/88/77/68/588887768.db2.gz BXKWSWLGSKGFEF-IUCAKERBSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC/C=C\C[NH3+] ZINC000857103269 588887973 /nfs/dbraw/zinc/88/79/73/588887973.db2.gz FTJXJPBXTPUMLY-KZUAUGPASA-N 2 0 200.286 -0.462 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC/C=C/C[NH3+] ZINC000857103270 588887743 /nfs/dbraw/zinc/88/77/43/588887743.db2.gz FTJXJPBXTPUMLY-SGJFDWMWSA-N 2 0 200.286 -0.462 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCC(C)(C)[NH3+] ZINC000857103299 588887931 /nfs/dbraw/zinc/88/79/31/588887931.db2.gz GCBWDMKMDGUPLX-ZETCQYMHSA-N 2 0 202.302 -0.240 20 0 BBADRP CC[NH2+]CCNC(=O)NCC[C@H](C)[NH3+] ZINC000857103427 588887738 /nfs/dbraw/zinc/88/77/38/588887738.db2.gz IHWQXOMYTNINBD-QMMMGPOBSA-N 2 0 202.302 -0.368 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000857103541 588887681 /nfs/dbraw/zinc/88/76/81/588887681.db2.gz LDAFVLQKYUQWSI-CBAPKCEASA-N 2 0 214.313 -0.240 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000857103542 588887987 /nfs/dbraw/zinc/88/79/87/588887987.db2.gz LDAFVLQKYUQWSI-IONNQARKSA-N 2 0 214.313 -0.240 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NCC[C@H](C)[NH3+] ZINC000857103547 588887861 /nfs/dbraw/zinc/88/78/61/588887861.db2.gz LEEKCMFNGCBKKO-JGVFFNPUSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000857103548 588887813 /nfs/dbraw/zinc/88/78/13/588887813.db2.gz LEEKCMFNGCBKKO-YUMQZZPRSA-N 2 0 202.302 -0.240 20 0 BBADRP C[NH2+]CCCNC(=O)NCC[C@H](C)[NH3+] ZINC000857103663 588887924 /nfs/dbraw/zinc/88/79/24/588887924.db2.gz AXCZGXQFUXZOPE-QMMMGPOBSA-N 2 0 202.302 -0.368 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCC1([NH3+])CCC1 ZINC000857103740 588887871 /nfs/dbraw/zinc/88/78/71/588887871.db2.gz MUXGVQFCMIVWKB-QMMMGPOBSA-N 2 0 214.313 -0.096 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000857103933 588886813 /nfs/dbraw/zinc/88/68/13/588886813.db2.gz OZXKXDVBSGHTJM-DTWKUNHWSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000857103935 588887173 /nfs/dbraw/zinc/88/71/73/588887173.db2.gz OZXKXDVBSGHTJM-IUCAKERBSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCC[NH2+]C1CC1 ZINC000857104389 588888333 /nfs/dbraw/zinc/88/83/33/588888333.db2.gz SDAWVMXGNUQGGC-QMMMGPOBSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000857104390 588888356 /nfs/dbraw/zinc/88/83/56/588888356.db2.gz SGUGTBFCHDLZTF-IUCAKERBSA-N 2 0 216.329 -0.027 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)NCC[C@H](C)[NH3+] ZINC000857104457 588888115 /nfs/dbraw/zinc/88/81/15/588888115.db2.gz SUEDFKGSPHYHRH-SFYZADRCSA-N 2 0 202.302 -0.382 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000857104458 588888200 /nfs/dbraw/zinc/88/82/00/588888200.db2.gz SUEDFKGSPHYHRH-YUMQZZPRSA-N 2 0 202.302 -0.382 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NCC[C@H](C)[NH3+] ZINC000857104673 588888108 /nfs/dbraw/zinc/88/81/08/588888108.db2.gz VXOYYOJSEKYSST-JGVFFNPUSA-N 2 0 202.302 -0.240 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NCC[C@H](C)[NH3+] ZINC000857104674 588888057 /nfs/dbraw/zinc/88/80/57/588888057.db2.gz VXOYYOJSEKYSST-YUMQZZPRSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000857104815 588888068 /nfs/dbraw/zinc/88/80/68/588888068.db2.gz XYALQJMGTVIBLU-CBAPKCEASA-N 2 0 214.313 -0.240 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000857104816 588888154 /nfs/dbraw/zinc/88/81/54/588888154.db2.gz XYALQJMGTVIBLU-IONNQARKSA-N 2 0 214.313 -0.240 20 0 BBADRP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000857104817 588888309 /nfs/dbraw/zinc/88/83/09/588888309.db2.gz XZCIQFNQFXMDCF-BIIVOSGPSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000857104818 588888219 /nfs/dbraw/zinc/88/82/19/588888219.db2.gz XZCIQFNQFXMDCF-FXQIFTODSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000857104819 588888346 /nfs/dbraw/zinc/88/83/46/588888346.db2.gz XZCIQFNQFXMDCF-RNJXMRFFSA-N 2 0 202.302 -0.241 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000857104820 588888063 /nfs/dbraw/zinc/88/80/63/588888063.db2.gz XZCIQFNQFXMDCF-XLPZGREQSA-N 2 0 202.302 -0.241 20 0 BBADRP COCC[NH2+]CCNC(=O)NCC[C@H](C)[NH3+] ZINC000857104902 588888227 /nfs/dbraw/zinc/88/82/27/588888227.db2.gz ZQTLOCPNLOWDJV-VIFPVBQESA-N 2 0 232.328 -0.741 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000857106161 588888107 /nfs/dbraw/zinc/88/81/07/588888107.db2.gz BYYZVMQDLBWEQK-UWVGGRQHSA-N 2 0 244.339 -0.599 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000857106162 588888191 /nfs/dbraw/zinc/88/81/91/588888191.db2.gz BYYZVMQDLBWEQK-VHSXEESVSA-N 2 0 244.339 -0.599 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000857106299 588888183 /nfs/dbraw/zinc/88/81/83/588888183.db2.gz IIJQJSIMIJPBHH-DTWKUNHWSA-N 2 0 230.312 -0.989 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000857106300 588888194 /nfs/dbraw/zinc/88/81/94/588888194.db2.gz IIJQJSIMIJPBHH-IUCAKERBSA-N 2 0 230.312 -0.989 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000857106800 588888112 /nfs/dbraw/zinc/88/81/12/588888112.db2.gz AHEIWGMXPHMXSY-UEJVZZJDSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000857106827 588888092 /nfs/dbraw/zinc/88/80/92/588888092.db2.gz BEPUDXPCUMEMNI-JGVFFNPUSA-N 2 0 200.286 -0.534 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000857106828 588888244 /nfs/dbraw/zinc/88/82/44/588888244.db2.gz BEPUDXPCUMEMNI-YUMQZZPRSA-N 2 0 200.286 -0.534 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC(C)(C)C[NH3+] ZINC000857106914 588888288 /nfs/dbraw/zinc/88/82/88/588888288.db2.gz FDBRYFSDKIFBGE-ZETCQYMHSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCC[C@H](C)[NH3+] ZINC000857106931 588888078 /nfs/dbraw/zinc/88/80/78/588888078.db2.gz FSUDJGYKKXMRQS-YUMQZZPRSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000857106947 588888150 /nfs/dbraw/zinc/88/81/50/588888150.db2.gz GHHOHLJKHPVGKG-UWVGGRQHSA-N 2 0 244.339 -0.517 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000857106948 588888321 /nfs/dbraw/zinc/88/83/21/588888321.db2.gz GHHOHLJKHPVGKG-VHSXEESVSA-N 2 0 244.339 -0.517 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N(C)CCC[NH3+] ZINC000857106962 588888252 /nfs/dbraw/zinc/88/82/52/588888252.db2.gz GRGQEJDPTYQKJU-QMMMGPOBSA-N 2 0 202.302 -0.286 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)NCC[C@H](C)[NH3+] ZINC000857106966 588888318 /nfs/dbraw/zinc/88/83/18/588888318.db2.gz GWBLSEBGHPNPRB-JGVFFNPUSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000857106967 588888284 /nfs/dbraw/zinc/88/82/84/588888284.db2.gz GWBLSEBGHPNPRB-YUMQZZPRSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000857106981 588888223 /nfs/dbraw/zinc/88/82/23/588888223.db2.gz HGXZBHSHCCYAKV-DJLDLDEBSA-N 2 0 232.303 -0.196 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000857107057 588888347 /nfs/dbraw/zinc/88/83/47/588888347.db2.gz JQZYRZFTHKOEIR-LPEHRKFASA-N 2 0 226.324 -0.416 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000857107143 588888176 /nfs/dbraw/zinc/88/81/76/588888176.db2.gz MBLFEEADPQWAIY-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000857107144 588888254 /nfs/dbraw/zinc/88/82/54/588888254.db2.gz MBLFEEADPQWAIY-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]CCN(C)C(=O)NCC[C@H](C)[NH3+] ZINC000857107221 588888056 /nfs/dbraw/zinc/88/80/56/588888056.db2.gz OTKDVOJNRRRYLT-QMMMGPOBSA-N 2 0 202.302 -0.416 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000857107242 634374899 /nfs/dbraw/zinc/37/48/99/634374899.db2.gz PJHFATBWAHVYHH-CIUDSAMLSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000857107322 588888071 /nfs/dbraw/zinc/88/80/71/588888071.db2.gz RFHXIYYJSJXPKJ-DTWKUNHWSA-N 2 0 230.312 -0.907 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000857107323 588888075 /nfs/dbraw/zinc/88/80/75/588888075.db2.gz RFHXIYYJSJXPKJ-IUCAKERBSA-N 2 0 230.312 -0.907 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000857107361 588888472 /nfs/dbraw/zinc/88/84/72/588888472.db2.gz STOADKIWCHKZDS-SILCLGDVSA-N 2 0 226.324 -0.144 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107390 588888468 /nfs/dbraw/zinc/88/84/68/588888468.db2.gz UFFGMROPKYWVJH-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107391 588888542 /nfs/dbraw/zinc/88/85/42/588888542.db2.gz UFFGMROPKYWVJH-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CC[NH2+]CC1 ZINC000857107414 588888654 /nfs/dbraw/zinc/88/86/54/588888654.db2.gz UVUPYKCHGUPEPL-QMMMGPOBSA-N 2 0 200.286 -0.662 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000857107422 588888702 /nfs/dbraw/zinc/88/87/02/588888702.db2.gz VHEDDEMXXHPCQU-DTWKUNHWSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000857107423 588888719 /nfs/dbraw/zinc/88/87/19/588888719.db2.gz VHEDDEMXXHPCQU-IUCAKERBSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000857107432 588888597 /nfs/dbraw/zinc/88/85/97/588888597.db2.gz VKAGIPNZEKJQBC-AEJSXWLSSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000857107496 588888550 /nfs/dbraw/zinc/88/85/50/588888550.db2.gz WWYAEGRPRXXZHG-WCBMZHEXSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000857107497 588888524 /nfs/dbraw/zinc/88/85/24/588888524.db2.gz WWYAEGRPRXXZHG-WPRPVWTQSA-N 2 0 214.313 -0.225 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N1CCC[NH2+]CC1 ZINC000857107558 588888528 /nfs/dbraw/zinc/88/85/28/588888528.db2.gz YXYIIXJGKKLYTL-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000857110212 588889024 /nfs/dbraw/zinc/88/90/24/588889024.db2.gz RAOSBCTWSPCORC-GXSJLCMTSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000857110213 588889068 /nfs/dbraw/zinc/88/90/68/588889068.db2.gz RAOSBCTWSPCORC-ONGXEEELSA-N 2 0 244.339 -0.911 20 0 BBADRP CC[N@H+](CCO)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000857110702 588889501 /nfs/dbraw/zinc/88/95/01/588889501.db2.gz URRMZCXXNVBAJZ-JTQLQIEISA-N 2 0 246.355 -0.663 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCC[NH+](C)C ZINC000857111100 588889496 /nfs/dbraw/zinc/88/94/96/588889496.db2.gz CDEVBXGILPHHDT-QMMMGPOBSA-N 2 0 202.302 -0.416 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000857111316 588889437 /nfs/dbraw/zinc/88/94/37/588889437.db2.gz JOHXTBCSUSXIGR-GXSJLCMTSA-N 2 0 246.355 -0.665 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000857111317 588889366 /nfs/dbraw/zinc/88/93/66/588889366.db2.gz JOHXTBCSUSXIGR-ONGXEEELSA-N 2 0 246.355 -0.665 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N(C)CC[NH+](C)C ZINC000857113270 588889688 /nfs/dbraw/zinc/88/96/88/588889688.db2.gz YZJMTCSNASQALI-VIFPVBQESA-N 2 0 216.329 -0.073 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000857253394 588901238 /nfs/dbraw/zinc/90/12/38/588901238.db2.gz LSPJINSSNJRAAE-AEJSXWLSSA-N 2 0 229.324 -0.393 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000857253395 588901287 /nfs/dbraw/zinc/90/12/87/588901287.db2.gz LSPJINSSNJRAAE-GUBZILKMSA-N 2 0 229.324 -0.393 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000857253396 588901422 /nfs/dbraw/zinc/90/14/22/588901422.db2.gz LSPJINSSNJRAAE-IVZWLZJFSA-N 2 0 229.324 -0.393 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC[C@H](C)[NH3+] ZINC000857253397 588901573 /nfs/dbraw/zinc/90/15/73/588901573.db2.gz LSPJINSSNJRAAE-LPEHRKFASA-N 2 0 229.324 -0.393 20 0 BBADRP OCc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000858598016 588970032 /nfs/dbraw/zinc/97/00/32/588970032.db2.gz BHBMQDSVKZMTBU-CYBMUJFWSA-N 2 0 249.314 -0.171 20 0 BBADRP Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc(N)[nH+]1 ZINC000858866644 588980291 /nfs/dbraw/zinc/98/02/91/588980291.db2.gz DGCJHUNCQZDTEY-VIFPVBQESA-N 2 0 237.307 -0.154 20 0 BBADRP NC(=O)[C@@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000859669040 589053587 /nfs/dbraw/zinc/05/35/87/589053587.db2.gz CADMFUFGXFONQS-QWRGUYRKSA-N 2 0 241.335 -0.607 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861572966 589168984 /nfs/dbraw/zinc/16/89/84/589168984.db2.gz ZRHIECLVSCOKSJ-JTQLQIEISA-N 2 0 246.355 -0.447 20 0 BBADRP COCC[N@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861572967 589167593 /nfs/dbraw/zinc/16/75/93/589167593.db2.gz ZRHIECLVSCOKSJ-SNVBAGLBSA-N 2 0 246.355 -0.447 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCCOCC[NH+](C)C ZINC000861624597 589171027 /nfs/dbraw/zinc/17/10/27/589171027.db2.gz UDZJXXVHVXDZBE-JTQLQIEISA-N 2 0 246.355 -0.447 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCCOCC[NH+](C)C ZINC000861624598 589171039 /nfs/dbraw/zinc/17/10/39/589171039.db2.gz UDZJXXVHVXDZBE-SNVBAGLBSA-N 2 0 246.355 -0.447 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000861632198 589171339 /nfs/dbraw/zinc/17/13/39/589171339.db2.gz QCLIYFINDGPYEM-BDAKNGLRSA-N 2 0 216.329 -0.075 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000861632199 589169509 /nfs/dbraw/zinc/16/95/09/589169509.db2.gz QCLIYFINDGPYEM-IUCAKERBSA-N 2 0 216.329 -0.075 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000861636698 589171848 /nfs/dbraw/zinc/17/18/48/589171848.db2.gz UQAPJZQNKWTZHU-BDAKNGLRSA-N 2 0 216.329 -0.075 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000861636699 589171625 /nfs/dbraw/zinc/17/16/25/589171625.db2.gz UQAPJZQNKWTZHU-IUCAKERBSA-N 2 0 216.329 -0.075 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000861637313 589171639 /nfs/dbraw/zinc/17/16/39/589171639.db2.gz BUPMISJFNQSFDP-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000861637314 589171723 /nfs/dbraw/zinc/17/17/23/589171723.db2.gz BUPMISJFNQSFDP-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000861637315 589171862 /nfs/dbraw/zinc/17/18/62/589171862.db2.gz BUPMISJFNQSFDP-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000861637316 589171695 /nfs/dbraw/zinc/17/16/95/589171695.db2.gz BUPMISJFNQSFDP-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC[NH2+]C1CC1 ZINC000861637459 589171799 /nfs/dbraw/zinc/17/17/99/589171799.db2.gz DAETTZIFRFFYIL-MRVPVSSYSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCC[NH2+]C1CC1 ZINC000861637460 589171823 /nfs/dbraw/zinc/17/18/23/589171823.db2.gz DAETTZIFRFFYIL-QMMMGPOBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]CCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861637749 589171678 /nfs/dbraw/zinc/17/16/78/589171678.db2.gz OQDOFGAOIDNESG-MRVPVSSYSA-N 2 0 202.302 -0.416 20 0 BBADRP C[NH2+]CCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861637750 589171888 /nfs/dbraw/zinc/17/18/88/589171888.db2.gz OQDOFGAOIDNESG-QMMMGPOBSA-N 2 0 202.302 -0.416 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000861638640 589172225 /nfs/dbraw/zinc/17/22/25/589172225.db2.gz LUANWQAGUBUVDT-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000861638641 589172238 /nfs/dbraw/zinc/17/22/38/589172238.db2.gz LUANWQAGUBUVDT-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000861638642 589172077 /nfs/dbraw/zinc/17/20/77/589172077.db2.gz LUANWQAGUBUVDT-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000861638643 589172001 /nfs/dbraw/zinc/17/20/01/589172001.db2.gz LUANWQAGUBUVDT-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC1CC[NH2+]CC1 ZINC000861638711 589171949 /nfs/dbraw/zinc/17/19/49/589171949.db2.gz FNOLXHBNMOZOGV-SECBINFHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCC1CC[NH2+]CC1 ZINC000861638713 589172210 /nfs/dbraw/zinc/17/22/10/589172210.db2.gz FNOLXHBNMOZOGV-VIFPVBQESA-N 2 0 228.340 -0.025 20 0 BBADRP CC[NH2+]CCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861639185 589172049 /nfs/dbraw/zinc/17/20/49/589172049.db2.gz IZKSGWSYUKCARG-SECBINFHSA-N 2 0 216.329 -0.025 20 0 BBADRP CC[NH2+]CCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861639186 589172110 /nfs/dbraw/zinc/17/21/10/589172110.db2.gz IZKSGWSYUKCARG-VIFPVBQESA-N 2 0 216.329 -0.025 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC(C)(C)[NH3+] ZINC000861639238 589172021 /nfs/dbraw/zinc/17/20/21/589172021.db2.gz CAGNXEZHBATACJ-SSDOTTSWSA-N 2 0 202.302 -0.288 20 0 BBADRP CC[NH2+]CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861639312 589171972 /nfs/dbraw/zinc/17/19/72/589171972.db2.gz RKBPSVWSEYYLSB-MRVPVSSYSA-N 2 0 202.302 -0.416 20 0 BBADRP CC[NH2+]CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861639313 589169505 /nfs/dbraw/zinc/16/95/05/589169505.db2.gz RKBPSVWSEYYLSB-QMMMGPOBSA-N 2 0 202.302 -0.416 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCC(C)(C)[NH3+] ZINC000861639411 589171965 /nfs/dbraw/zinc/17/19/65/589171965.db2.gz CAGNXEZHBATACJ-ZETCQYMHSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861639651 589172083 /nfs/dbraw/zinc/17/20/83/589172083.db2.gz WAWQBSVWGIDEJC-HTQZYQBOSA-N 2 0 200.286 -0.663 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861639652 589172055 /nfs/dbraw/zinc/17/20/55/589172055.db2.gz WAWQBSVWGIDEJC-JGVFFNPUSA-N 2 0 200.286 -0.663 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000861639653 589171938 /nfs/dbraw/zinc/17/19/38/589171938.db2.gz WAWQBSVWGIDEJC-SFYZADRCSA-N 2 0 200.286 -0.663 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000861639654 589172036 /nfs/dbraw/zinc/17/20/36/589172036.db2.gz WAWQBSVWGIDEJC-YUMQZZPRSA-N 2 0 200.286 -0.663 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000861640007 589172154 /nfs/dbraw/zinc/17/21/54/589172154.db2.gz ZUKHOBMEVLZSBJ-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000861640008 589172252 /nfs/dbraw/zinc/17/22/52/589172252.db2.gz ZUKHOBMEVLZSBJ-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000861640009 589172053 /nfs/dbraw/zinc/17/20/53/589172053.db2.gz ZUKHOBMEVLZSBJ-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000861640010 589172198 /nfs/dbraw/zinc/17/21/98/589172198.db2.gz ZUKHOBMEVLZSBJ-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)C[NH3+] ZINC000861640149 589172152 /nfs/dbraw/zinc/17/21/52/589172152.db2.gz BAZMNCFZNVNINR-HTQZYQBOSA-N 2 0 202.302 -0.430 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)C[NH3+] ZINC000861640152 589172250 /nfs/dbraw/zinc/17/22/50/589172250.db2.gz BAZMNCFZNVNINR-JGVFFNPUSA-N 2 0 202.302 -0.430 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861640155 589172034 /nfs/dbraw/zinc/17/20/34/589172034.db2.gz BAZMNCFZNVNINR-SFYZADRCSA-N 2 0 202.302 -0.430 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H](C)C[NH3+] ZINC000861640157 589171948 /nfs/dbraw/zinc/17/19/48/589171948.db2.gz BAZMNCFZNVNINR-YUMQZZPRSA-N 2 0 202.302 -0.430 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000861640506 589172256 /nfs/dbraw/zinc/17/22/56/589172256.db2.gz VDQWIYPKOOGZMC-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000861640508 589172248 /nfs/dbraw/zinc/17/22/48/589172248.db2.gz VDQWIYPKOOGZMC-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000861640509 589171970 /nfs/dbraw/zinc/17/19/70/589171970.db2.gz VDQWIYPKOOGZMC-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000861640512 589172169 /nfs/dbraw/zinc/17/21/69/589172169.db2.gz VDQWIYPKOOGZMC-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000861640607 589172202 /nfs/dbraw/zinc/17/22/02/589172202.db2.gz MYWRCBFIDWXCAO-APPZFPTMSA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000861640608 589172137 /nfs/dbraw/zinc/17/21/37/589172137.db2.gz MYWRCBFIDWXCAO-CBAPKCEASA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000861640609 589172253 /nfs/dbraw/zinc/17/22/53/589172253.db2.gz MYWRCBFIDWXCAO-IONNQARKSA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000861640610 589172230 /nfs/dbraw/zinc/17/22/30/589172230.db2.gz MYWRCBFIDWXCAO-VXNVDRBHSA-N 2 0 214.313 -0.288 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861641156 589172084 /nfs/dbraw/zinc/17/20/84/589172084.db2.gz QDCHFTGGQHAJRG-BDAKNGLRSA-N 2 0 216.329 -0.042 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861641162 589172258 /nfs/dbraw/zinc/17/22/58/589172258.db2.gz QDCHFTGGQHAJRG-DTWKUNHWSA-N 2 0 216.329 -0.042 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861641164 589172191 /nfs/dbraw/zinc/17/21/91/589172191.db2.gz QDCHFTGGQHAJRG-IUCAKERBSA-N 2 0 216.329 -0.042 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861641165 589172187 /nfs/dbraw/zinc/17/21/87/589172187.db2.gz QDCHFTGGQHAJRG-RKDXNWHRSA-N 2 0 216.329 -0.042 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)CC[NH3+] ZINC000861641347 589172190 /nfs/dbraw/zinc/17/21/90/589172190.db2.gz JNHOPZRNAGOMBJ-HTQZYQBOSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861641348 589171977 /nfs/dbraw/zinc/17/19/77/589171977.db2.gz JNHOPZRNAGOMBJ-JGVFFNPUSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)CC[NH3+] ZINC000861641349 589172086 /nfs/dbraw/zinc/17/20/86/589172086.db2.gz JNHOPZRNAGOMBJ-SFYZADRCSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)CC[NH3+] ZINC000861641350 589172133 /nfs/dbraw/zinc/17/21/33/589172133.db2.gz JNHOPZRNAGOMBJ-YUMQZZPRSA-N 2 0 202.302 -0.288 20 0 BBADRP COCC[NH2+]CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861641352 589172148 /nfs/dbraw/zinc/17/21/48/589172148.db2.gz JPPCTHIHECTNKA-SECBINFHSA-N 2 0 232.328 -0.789 20 0 BBADRP COCC[NH2+]CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861641353 589172243 /nfs/dbraw/zinc/17/22/43/589172243.db2.gz JPPCTHIHECTNKA-VIFPVBQESA-N 2 0 232.328 -0.789 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC1=CC[NH2+]CC1 ZINC000861642006 589172123 /nfs/dbraw/zinc/17/21/23/589172123.db2.gz SNJKBZPBAPHAHO-SECBINFHSA-N 2 0 226.324 -0.105 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCC1=CC[NH2+]CC1 ZINC000861642007 589171980 /nfs/dbraw/zinc/17/19/80/589171980.db2.gz SNJKBZPBAPHAHO-VIFPVBQESA-N 2 0 226.324 -0.105 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000861642328 589172185 /nfs/dbraw/zinc/17/21/85/589172185.db2.gz XIYDSJRRMOKWOS-APPZFPTMSA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000861642329 589172095 /nfs/dbraw/zinc/17/20/95/589172095.db2.gz XIYDSJRRMOKWOS-CBAPKCEASA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000861642330 589171982 /nfs/dbraw/zinc/17/19/82/589171982.db2.gz XIYDSJRRMOKWOS-IONNQARKSA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000861642331 589169955 /nfs/dbraw/zinc/16/99/55/589169955.db2.gz XIYDSJRRMOKWOS-VXNVDRBHSA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC1([NH3+])CCC1 ZINC000861642426 589172063 /nfs/dbraw/zinc/17/20/63/589172063.db2.gz XQEUMQDCTVBWNX-MRVPVSSYSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCC1([NH3+])CCC1 ZINC000861642427 589172134 /nfs/dbraw/zinc/17/21/34/589172134.db2.gz XQEUMQDCTVBWNX-QMMMGPOBSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861642604 589172569 /nfs/dbraw/zinc/17/25/69/589172569.db2.gz CEHVXAJPDINMJM-BIIVOSGPSA-N 2 0 200.286 -0.617 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000861642781 589172327 /nfs/dbraw/zinc/17/23/27/589172327.db2.gz HPNZTVNWNQCDOW-GUBZILKMSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000861642782 589172539 /nfs/dbraw/zinc/17/25/39/589172539.db2.gz HPNZTVNWNQCDOW-KXUCPTDWSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000861642783 589172519 /nfs/dbraw/zinc/17/25/19/589172519.db2.gz HPNZTVNWNQCDOW-LPEHRKFASA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000861642784 589172613 /nfs/dbraw/zinc/17/26/13/589172613.db2.gz HPNZTVNWNQCDOW-UTLUCORTSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861642816 589172630 /nfs/dbraw/zinc/17/26/30/589172630.db2.gz IGUKFECAFPBYTR-DTWKUNHWSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861642817 589172574 /nfs/dbraw/zinc/17/25/74/589172574.db2.gz IGUKFECAFPBYTR-IUCAKERBSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000861642842 589172616 /nfs/dbraw/zinc/17/26/16/589172616.db2.gz JGFZSXWTROJJMF-GUBZILKMSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000861642843 589172505 /nfs/dbraw/zinc/17/25/05/589172505.db2.gz JGFZSXWTROJJMF-KXUCPTDWSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000861642844 589172517 /nfs/dbraw/zinc/17/25/17/589172517.db2.gz JGFZSXWTROJJMF-LPEHRKFASA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000861642845 589172400 /nfs/dbraw/zinc/17/24/00/589172400.db2.gz JGFZSXWTROJJMF-UTLUCORTSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861642853 589172528 /nfs/dbraw/zinc/17/25/28/589172528.db2.gz JKVCEHJILQZLLO-CIUDSAMLSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861642854 589172337 /nfs/dbraw/zinc/17/23/37/589172337.db2.gz JKVCEHJILQZLLO-HRDYMLBCSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861642855 589172601 /nfs/dbraw/zinc/17/26/01/589172601.db2.gz JKVCEHJILQZLLO-VGMNWLOBSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861642856 589172596 /nfs/dbraw/zinc/17/25/96/589172596.db2.gz JKVCEHJILQZLLO-XHNCKOQMSA-N 2 0 214.313 -0.227 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000861642898 636609962 /nfs/dbraw/zinc/60/99/62/636609962.db2.gz KFPIUCSUEUKVOX-ZMLRMANQSA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000861642947 589172497 /nfs/dbraw/zinc/17/24/97/589172497.db2.gz LMBZRHUFOHKKBW-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000861642948 589172435 /nfs/dbraw/zinc/17/24/35/589172435.db2.gz LMBZRHUFOHKKBW-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)C[NH3+] ZINC000861643098 589172527 /nfs/dbraw/zinc/17/25/27/589172527.db2.gz PTYTUANXSYFHHH-VIFPVBQESA-N 2 0 232.328 -0.789 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000861643241 589172575 /nfs/dbraw/zinc/17/25/75/589172575.db2.gz SZMMEBKYWPKAIH-UWVGGRQHSA-N 2 0 228.340 -0.027 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000861643243 589172604 /nfs/dbraw/zinc/17/26/04/589172604.db2.gz SZMMEBKYWPKAIH-VHSXEESVSA-N 2 0 228.340 -0.027 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[NH3+] ZINC000861643245 589172457 /nfs/dbraw/zinc/17/24/57/589172457.db2.gz SZWJBEBQSHBOQK-XHNCKOQMSA-N 2 0 214.313 -0.227 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861644232 589172516 /nfs/dbraw/zinc/17/25/16/589172516.db2.gz ZCYLEYRUNGKRQZ-DTWKUNHWSA-N 2 0 216.329 -0.027 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861644233 589172521 /nfs/dbraw/zinc/17/25/21/589172521.db2.gz ZCYLEYRUNGKRQZ-RKDXNWHRSA-N 2 0 216.329 -0.027 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861644287 589172461 /nfs/dbraw/zinc/17/24/61/589172461.db2.gz AOLOMEWPWZDLPL-HTQZYQBOSA-N 2 0 202.302 -0.288 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861644288 589172416 /nfs/dbraw/zinc/17/24/16/589172416.db2.gz AOLOMEWPWZDLPL-JGVFFNPUSA-N 2 0 202.302 -0.288 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861644289 589172565 /nfs/dbraw/zinc/17/25/65/589172565.db2.gz AOLOMEWPWZDLPL-SFYZADRCSA-N 2 0 202.302 -0.288 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861644290 589172564 /nfs/dbraw/zinc/17/25/64/589172564.db2.gz AOLOMEWPWZDLPL-YUMQZZPRSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000861644921 589172820 /nfs/dbraw/zinc/17/28/20/589172820.db2.gz WKKJOTRRVKWKOQ-BIIVOSGPSA-N 2 0 202.302 -0.289 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000861644923 589172849 /nfs/dbraw/zinc/17/28/49/589172849.db2.gz WKKJOTRRVKWKOQ-FXQIFTODSA-N 2 0 202.302 -0.289 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861644925 589172894 /nfs/dbraw/zinc/17/28/94/589172894.db2.gz WKKJOTRRVKWKOQ-RNJXMRFFSA-N 2 0 202.302 -0.289 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861644926 589172890 /nfs/dbraw/zinc/17/28/90/589172890.db2.gz WKKJOTRRVKWKOQ-XLPZGREQSA-N 2 0 202.302 -0.289 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646016 589173080 /nfs/dbraw/zinc/17/30/80/589173080.db2.gz NWWSYNDGLYHNBH-HTQZYQBOSA-N 2 0 248.277 -0.355 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646018 589172921 /nfs/dbraw/zinc/17/29/21/589172921.db2.gz NWWSYNDGLYHNBH-SFYZADRCSA-N 2 0 248.277 -0.355 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000861646445 589173035 /nfs/dbraw/zinc/17/30/35/589173035.db2.gz UIPBBCCDTGGQLD-NXEZZACHSA-N 2 0 244.339 -0.647 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000861646446 589172957 /nfs/dbraw/zinc/17/29/57/589172957.db2.gz UIPBBCCDTGGQLD-UWVGGRQHSA-N 2 0 244.339 -0.647 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000861646447 589173003 /nfs/dbraw/zinc/17/30/03/589173003.db2.gz UIPBBCCDTGGQLD-VHSXEESVSA-N 2 0 244.339 -0.647 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000861646449 589172925 /nfs/dbraw/zinc/17/29/25/589172925.db2.gz UIPBBCCDTGGQLD-ZJUUUORDSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861652130 589172885 /nfs/dbraw/zinc/17/28/85/589172885.db2.gz QXCQOGNMLKBFHU-HTQZYQBOSA-N 2 0 202.302 -0.417 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861652131 589172858 /nfs/dbraw/zinc/17/28/58/589172858.db2.gz QXCQOGNMLKBFHU-JGVFFNPUSA-N 2 0 202.302 -0.417 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861652132 589172872 /nfs/dbraw/zinc/17/28/72/589172872.db2.gz QXCQOGNMLKBFHU-SFYZADRCSA-N 2 0 202.302 -0.417 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861652133 589172902 /nfs/dbraw/zinc/17/29/02/589172902.db2.gz QXCQOGNMLKBFHU-YUMQZZPRSA-N 2 0 202.302 -0.417 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000861652858 589173260 /nfs/dbraw/zinc/17/32/60/589173260.db2.gz MZLKNFBIJQCICG-FKTRJACZSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000861652859 589173411 /nfs/dbraw/zinc/17/34/11/589173411.db2.gz MZLKNFBIJQCICG-SILCLGDVSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000861653421 589173388 /nfs/dbraw/zinc/17/33/88/589173388.db2.gz CWMUJOXJKIOFOI-UWVGGRQHSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000861653422 589173419 /nfs/dbraw/zinc/17/34/19/589173419.db2.gz CWMUJOXJKIOFOI-VHSXEESVSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCC[C@H](C)[NH3+] ZINC000861653696 589173191 /nfs/dbraw/zinc/17/31/91/589173191.db2.gz JSOBGOCNOZDUDH-JGVFFNPUSA-N 2 0 202.302 -0.288 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861653697 589173435 /nfs/dbraw/zinc/17/34/35/589173435.db2.gz JSOBGOCNOZDUDH-YUMQZZPRSA-N 2 0 202.302 -0.288 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)NCC[C@H](C)[NH3+] ZINC000861655135 589173337 /nfs/dbraw/zinc/17/33/37/589173337.db2.gz FKOJQDOJAPVRDW-JTQLQIEISA-N 2 0 246.355 -0.399 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)N(C)CCOCC[NH3+] ZINC000861655178 589173124 /nfs/dbraw/zinc/17/31/24/589173124.db2.gz GLCIWDINLUWONX-VIFPVBQESA-N 2 0 232.328 -0.660 20 0 BBADRP CCN(CC[NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000861655592 589173157 /nfs/dbraw/zinc/17/31/57/589173157.db2.gz UXYQYRRGQVOBDV-QMMMGPOBSA-N 2 0 202.302 -0.286 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861662707 589173625 /nfs/dbraw/zinc/17/36/25/589173625.db2.gz DTQNPWWOIPNLMU-SNVBAGLBSA-N 2 0 244.339 -0.957 20 0 BBADRP C[NH2+]CCN(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000861662710 589173566 /nfs/dbraw/zinc/17/35/66/589173566.db2.gz DYNJWMNKYLYOII-SNVBAGLBSA-N 2 0 228.340 -0.059 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[NH2+]C ZINC000861672786 589174090 /nfs/dbraw/zinc/17/40/90/589174090.db2.gz UYMITGFBCKIYNG-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000861672810 589174002 /nfs/dbraw/zinc/17/40/02/589174002.db2.gz VLEREPQCGYOBNB-VHSXEESVSA-N 2 0 244.339 -0.911 20 0 BBADRP C[NH2+]CCOCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861676622 589174121 /nfs/dbraw/zinc/17/41/21/589174121.db2.gz LYHIQZNMGQNNFG-SECBINFHSA-N 2 0 232.328 -0.789 20 0 BBADRP C[NH2+]CCOCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861676623 589174153 /nfs/dbraw/zinc/17/41/53/589174153.db2.gz LYHIQZNMGQNNFG-VIFPVBQESA-N 2 0 232.328 -0.789 20 0 BBADRP C[NH2+]CCOCCNC(=O)N(C)CC[NH2+]C ZINC000861677678 589173988 /nfs/dbraw/zinc/17/39/88/589173988.db2.gz XUOXZVDXSGPQKL-UHFFFAOYSA-N 2 0 232.328 -0.917 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861689448 589174361 /nfs/dbraw/zinc/17/43/61/589174361.db2.gz CAEDXOYUHVRAPJ-NXEZZACHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861689449 589174391 /nfs/dbraw/zinc/17/43/91/589174391.db2.gz CAEDXOYUHVRAPJ-UWVGGRQHSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861689450 589174546 /nfs/dbraw/zinc/17/45/46/589174546.db2.gz CAEDXOYUHVRAPJ-VHSXEESVSA-N 2 0 228.340 -0.012 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861689451 589174463 /nfs/dbraw/zinc/17/44/63/589174463.db2.gz CAEDXOYUHVRAPJ-ZJUUUORDSA-N 2 0 228.340 -0.012 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)N(CC[NH3+])CCO)C[NH2+]1 ZINC000861690026 589174648 /nfs/dbraw/zinc/17/46/48/589174648.db2.gz LZMDKWAIWKECKH-NXEZZACHSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)N(CC[NH3+])CCO)C[NH2+]1 ZINC000861690027 589174406 /nfs/dbraw/zinc/17/44/06/589174406.db2.gz LZMDKWAIWKECKH-UWVGGRQHSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)N(CC[NH3+])CCO)C[NH2+]1 ZINC000861690028 589174501 /nfs/dbraw/zinc/17/45/01/589174501.db2.gz LZMDKWAIWKECKH-VHSXEESVSA-N 2 0 244.339 -0.911 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)N(CC[NH3+])CCO)C[NH2+]1 ZINC000861690029 589174298 /nfs/dbraw/zinc/17/42/98/589174298.db2.gz LZMDKWAIWKECKH-ZJUUUORDSA-N 2 0 244.339 -0.911 20 0 BBADRP C[NH2+]CCN(C)C(=O)NCCOCCC[NH3+] ZINC000861692603 589174918 /nfs/dbraw/zinc/17/49/18/589174918.db2.gz HHLUTJZCYNNWCE-UHFFFAOYSA-N 2 0 232.328 -0.787 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)NCCOCCC[NH3+] ZINC000861693949 589174779 /nfs/dbraw/zinc/17/47/79/589174779.db2.gz FADRGTFNLXJPQS-SECBINFHSA-N 2 0 232.328 -0.660 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)NCCOCCC[NH3+] ZINC000861693951 589174765 /nfs/dbraw/zinc/17/47/65/589174765.db2.gz FADRGTFNLXJPQS-VIFPVBQESA-N 2 0 232.328 -0.660 20 0 BBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861694685 589174935 /nfs/dbraw/zinc/17/49/35/589174935.db2.gz DTQNPWWOIPNLMU-JTQLQIEISA-N 2 0 244.339 -0.957 20 0 BBADRP C[NH2+]CCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000861694694 589174990 /nfs/dbraw/zinc/17/49/90/589174990.db2.gz DYNJWMNKYLYOII-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000861703120 589175249 /nfs/dbraw/zinc/17/52/49/589175249.db2.gz GDMXRUMRSNNBEL-ZDCRXTMVSA-N 2 0 238.335 -0.260 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861703672 589175324 /nfs/dbraw/zinc/17/53/24/589175324.db2.gz RVNZWXJJMYQHAX-HRDYMLBCSA-N 2 0 214.313 -0.275 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861703674 589175304 /nfs/dbraw/zinc/17/53/04/589175304.db2.gz RVNZWXJJMYQHAX-XHNCKOQMSA-N 2 0 214.313 -0.275 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861703789 589175238 /nfs/dbraw/zinc/17/52/38/589175238.db2.gz URZDBSJVKGOLEL-DTWKUNHWSA-N 2 0 214.313 -0.402 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000861708583 589175636 /nfs/dbraw/zinc/17/56/36/589175636.db2.gz GYLBJEZCPAQQOU-BBBLOLIVSA-N 2 0 224.308 -0.648 20 0 BBADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861708768 589175476 /nfs/dbraw/zinc/17/54/76/589175476.db2.gz JDLPQAURSKCTQU-MRVPVSSYSA-N 2 0 200.286 -0.791 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000861709915 589175632 /nfs/dbraw/zinc/17/56/32/589175632.db2.gz RUPHHVUBKIMCJL-NXEZZACHSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000861709918 589175665 /nfs/dbraw/zinc/17/56/65/589175665.db2.gz RUPHHVUBKIMCJL-VHSXEESVSA-N 2 0 226.324 -0.271 20 0 BBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000861910748 589183109 /nfs/dbraw/zinc/18/31/09/589183109.db2.gz WJNOBPACXUFXRT-NNYUYHANSA-N 2 0 237.347 -0.044 20 0 BBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000861910749 589183290 /nfs/dbraw/zinc/18/32/90/589183290.db2.gz WJNOBPACXUFXRT-WYUUTHIRSA-N 2 0 237.347 -0.044 20 0 BBADRP [NH3+]CCN(CCO)CCOC1CCOCC1 ZINC000863542480 589297243 /nfs/dbraw/zinc/29/72/43/589297243.db2.gz VEMMOJWHYCBJPV-UHFFFAOYSA-N 2 0 232.324 -0.565 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C(=O)N(C)OC ZINC000863549064 589298321 /nfs/dbraw/zinc/29/83/21/589298321.db2.gz YWYPVWPBTQPFHF-NXEZZACHSA-N 2 0 247.339 -0.262 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C(=O)N(C)OC ZINC000863549065 589298498 /nfs/dbraw/zinc/29/84/98/589298498.db2.gz YWYPVWPBTQPFHF-UWVGGRQHSA-N 2 0 247.339 -0.262 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C(=O)N(C)OC ZINC000863549066 589298561 /nfs/dbraw/zinc/29/85/61/589298561.db2.gz YWYPVWPBTQPFHF-VHSXEESVSA-N 2 0 247.339 -0.262 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C(=O)N(C)OC ZINC000863549067 589298400 /nfs/dbraw/zinc/29/84/00/589298400.db2.gz YWYPVWPBTQPFHF-ZJUUUORDSA-N 2 0 247.339 -0.262 20 0 BBADRP O[C@H](C[NH2+][C@@H]1CC[C@H]1O)C[NH+]1CCCC1 ZINC000863563429 589299370 /nfs/dbraw/zinc/29/93/70/589299370.db2.gz QCXOSHQAVORDKK-GMTAPVOTSA-N 2 0 214.309 -0.444 20 0 BBADRP O[C@@H](C[NH2+][C@@H]1CC[C@H]1O)C[NH+]1CCCC1 ZINC000863563430 589299484 /nfs/dbraw/zinc/29/94/84/589299484.db2.gz QCXOSHQAVORDKK-HBNTYKKESA-N 2 0 214.309 -0.444 20 0 BBADRP C[C@@H]([NH3+])CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000863567139 589299557 /nfs/dbraw/zinc/29/95/57/589299557.db2.gz CAYWBAWAHSDYNQ-NXEZZACHSA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@H]([NH3+])CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000863567141 589299496 /nfs/dbraw/zinc/29/94/96/589299496.db2.gz CAYWBAWAHSDYNQ-UWVGGRQHSA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@H]([NH3+])CN(C)CCC(=O)N1CC[NH2+]CC1 ZINC000863567168 589299575 /nfs/dbraw/zinc/29/95/75/589299575.db2.gz BRTBCBZMBXMNQP-JTQLQIEISA-N 2 0 228.340 -0.913 20 0 BBADRP C[C@@H]([NH3+])CN(C)CCC(=O)N1CC[NH2+]CC1 ZINC000863567169 589299290 /nfs/dbraw/zinc/29/92/90/589299290.db2.gz BRTBCBZMBXMNQP-SNVBAGLBSA-N 2 0 228.340 -0.913 20 0 BBADRP C[C@H]([NH3+])CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000863567313 589299328 /nfs/dbraw/zinc/29/93/28/589299328.db2.gz CAYWBAWAHSDYNQ-VHSXEESVSA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@@H]([NH3+])CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000863567314 589299546 /nfs/dbraw/zinc/29/95/46/589299546.db2.gz CAYWBAWAHSDYNQ-ZJUUUORDSA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@H]([NH3+])CN(C)CCC(=O)N1CCOCC1 ZINC000863567933 589300014 /nfs/dbraw/zinc/30/00/14/589300014.db2.gz HEWFPDLTMJWFDA-JTQLQIEISA-N 2 0 229.324 -0.486 20 0 BBADRP C[C@@H]([NH3+])CN(C)CCC(=O)N1CCOCC1 ZINC000863567950 589299903 /nfs/dbraw/zinc/29/99/03/589299903.db2.gz HEWFPDLTMJWFDA-SNVBAGLBSA-N 2 0 229.324 -0.486 20 0 BBADRP C[C@@H]([NH3+])CN(C)[C@H](C)CN1CCOCC1 ZINC000863568691 589300150 /nfs/dbraw/zinc/30/01/50/589300150.db2.gz NTLIBBNPOHPZGS-GHMZBOCLSA-N 2 0 215.341 -0.014 20 0 BBADRP C[C@@H]([NH3+])CN(C)[C@@H](C)CN1CCOCC1 ZINC000863568692 589300360 /nfs/dbraw/zinc/30/03/60/589300360.db2.gz NTLIBBNPOHPZGS-MNOVXSKESA-N 2 0 215.341 -0.014 20 0 BBADRP C[C@H]([NH3+])CN(C)[C@@H](C)CN1CCOCC1 ZINC000863568693 589299954 /nfs/dbraw/zinc/29/99/54/589299954.db2.gz NTLIBBNPOHPZGS-QWRGUYRKSA-N 2 0 215.341 -0.014 20 0 BBADRP C[C@H](CN1CCOCC1)N(C)C[C@H](C)[NH3+] ZINC000863568694 589299821 /nfs/dbraw/zinc/29/98/21/589299821.db2.gz NTLIBBNPOHPZGS-WDEREUQCSA-N 2 0 215.341 -0.014 20 0 BBADRP [NH3+]CCN(CCO)CC1=CCCOC1 ZINC000863641492 589306224 /nfs/dbraw/zinc/30/62/24/589306224.db2.gz FFZCYXJWADRMFF-UHFFFAOYSA-N 2 0 200.282 -0.414 20 0 BBADRP C[C@@H]([NH3+])CN(C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652387 589307739 /nfs/dbraw/zinc/30/77/39/589307739.db2.gz SKAZVICNBMXAKE-GHMZBOCLSA-N 2 0 242.367 -0.537 20 0 BBADRP C[C@@H]([NH3+])CN(C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652389 589307465 /nfs/dbraw/zinc/30/74/65/589307465.db2.gz SKAZVICNBMXAKE-MNOVXSKESA-N 2 0 242.367 -0.537 20 0 BBADRP C[C@H]([NH3+])CN(C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652390 589307730 /nfs/dbraw/zinc/30/77/30/589307730.db2.gz SKAZVICNBMXAKE-QWRGUYRKSA-N 2 0 242.367 -0.537 20 0 BBADRP C[C@H]([NH3+])CN(C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000863652391 589307328 /nfs/dbraw/zinc/30/73/28/589307328.db2.gz SKAZVICNBMXAKE-WDEREUQCSA-N 2 0 242.367 -0.537 20 0 BBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(N)=[NH2+])C1 ZINC000864357956 589355539 /nfs/dbraw/zinc/35/55/39/589355539.db2.gz BKRBHEHVMDZANK-ZETCQYMHSA-N 2 0 200.286 -0.685 20 0 BBADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000864457684 589367661 /nfs/dbraw/zinc/36/76/61/589367661.db2.gz GKVHSJCDLYOGPA-GMTAPVOTSA-N 2 0 239.367 -0.245 20 0 BBADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000864457693 589367892 /nfs/dbraw/zinc/36/78/92/589367892.db2.gz GKVHSJCDLYOGPA-MXWKQRLJSA-N 2 0 239.367 -0.245 20 0 BBADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000864457695 589367842 /nfs/dbraw/zinc/36/78/42/589367842.db2.gz GKVHSJCDLYOGPA-OUAUKWLOSA-N 2 0 239.367 -0.245 20 0 BBADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000864457696 636766853 /nfs/dbraw/zinc/76/68/53/636766853.db2.gz GKVHSJCDLYOGPA-VWYCJHECSA-N 2 0 239.367 -0.245 20 0 BBADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000864462204 589369346 /nfs/dbraw/zinc/36/93/46/589369346.db2.gz WJONGZOTHMPXNM-GMTAPVOTSA-N 2 0 237.351 -0.491 20 0 BBADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000864462205 589369284 /nfs/dbraw/zinc/36/92/84/589369284.db2.gz WJONGZOTHMPXNM-MXWKQRLJSA-N 2 0 237.351 -0.491 20 0 BBADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000864462207 589369304 /nfs/dbraw/zinc/36/93/04/589369304.db2.gz WJONGZOTHMPXNM-OUAUKWLOSA-N 2 0 237.351 -0.491 20 0 BBADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000864462209 589369368 /nfs/dbraw/zinc/36/93/68/589369368.db2.gz WJONGZOTHMPXNM-VWYCJHECSA-N 2 0 237.351 -0.491 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NCCC2CC2)C1 ZINC000864462995 589369420 /nfs/dbraw/zinc/36/94/20/589369420.db2.gz CEZRGDQDCOZUKN-GFCCVEGCSA-N 2 0 240.351 -0.033 20 0 BBADRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NCCC2CC2)C1 ZINC000864463132 589369458 /nfs/dbraw/zinc/36/94/58/589369458.db2.gz CEZRGDQDCOZUKN-LBPRGKRZSA-N 2 0 240.351 -0.033 20 0 BBADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000864463194 589369710 /nfs/dbraw/zinc/36/97/10/589369710.db2.gz DQXOZXQFMLBGNQ-FXPVBKGRSA-N 2 0 226.324 -0.425 20 0 BBADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000864463203 589369802 /nfs/dbraw/zinc/36/98/02/589369802.db2.gz DQXOZXQFMLBGNQ-KKZNHRDASA-N 2 0 226.324 -0.425 20 0 BBADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000864463204 589369648 /nfs/dbraw/zinc/36/96/48/589369648.db2.gz DQXOZXQFMLBGNQ-WCABBAIRSA-N 2 0 226.324 -0.425 20 0 BBADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000864463205 589369755 /nfs/dbraw/zinc/36/97/55/589369755.db2.gz DQXOZXQFMLBGNQ-YWVKMMECSA-N 2 0 226.324 -0.425 20 0 BBADRP C[NH+](C)CCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000864624021 589384895 /nfs/dbraw/zinc/38/48/95/589384895.db2.gz SKSMQZGKQHCMBC-JTQLQIEISA-N 2 0 223.324 -0.008 20 0 BBADRP C[NH+](C)CCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000864624022 589384714 /nfs/dbraw/zinc/38/47/14/589384714.db2.gz SKSMQZGKQHCMBC-SNVBAGLBSA-N 2 0 223.324 -0.008 20 0 BBADRP COCC[C@H]([NH3+])Cc1cn(CC[NH+](C)C)nn1 ZINC000864624470 589385007 /nfs/dbraw/zinc/38/50/07/589385007.db2.gz ZLGWWDSUCHUPSP-JTQLQIEISA-N 2 0 241.339 -0.254 20 0 BBADRP COCC[C@@H]([NH3+])Cc1cn(CC[NH+](C)C)nn1 ZINC000864624474 589385011 /nfs/dbraw/zinc/38/50/11/589385011.db2.gz ZLGWWDSUCHUPSP-SNVBAGLBSA-N 2 0 241.339 -0.254 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@H]21 ZINC000866209806 589480379 /nfs/dbraw/zinc/48/03/79/589480379.db2.gz VHWIWVOLAAFVEA-HTQZYQBOSA-N 2 0 249.322 -0.434 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@H]21 ZINC000866209807 589480540 /nfs/dbraw/zinc/48/05/40/589480540.db2.gz VHWIWVOLAAFVEA-JGVFFNPUSA-N 2 0 249.322 -0.434 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@@H]21 ZINC000866209808 589480462 /nfs/dbraw/zinc/48/04/62/589480462.db2.gz VHWIWVOLAAFVEA-SFYZADRCSA-N 2 0 249.322 -0.434 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(c3nc(N)[nH+]c(N)n3)CC[C@@H]21 ZINC000866209809 589480731 /nfs/dbraw/zinc/48/07/31/589480731.db2.gz VHWIWVOLAAFVEA-YUMQZZPRSA-N 2 0 249.322 -0.434 20 0 BBADRP CN(CC[NH+](C)C)C(=O)[C@H](O)c1cnc[nH]1 ZINC000866309550 589485710 /nfs/dbraw/zinc/48/57/10/589485710.db2.gz HPAIVVXWPSSPLY-SECBINFHSA-N 2 0 226.280 -0.537 20 0 BBADRP CN(CC[NH+](C)C)C(=O)[C@@H](O)c1cnc[nH]1 ZINC000866309551 589485896 /nfs/dbraw/zinc/48/58/96/589485896.db2.gz HPAIVVXWPSSPLY-VIFPVBQESA-N 2 0 226.280 -0.537 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000866659006 589508211 /nfs/dbraw/zinc/50/82/11/589508211.db2.gz FYUABLAIPPQIAD-SECBINFHSA-N 2 0 224.312 -0.577 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866659007 589507828 /nfs/dbraw/zinc/50/78/28/589507828.db2.gz FYUABLAIPPQIAD-VIFPVBQESA-N 2 0 224.312 -0.577 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2nnnn2C)C1 ZINC000866659856 589508385 /nfs/dbraw/zinc/50/83/85/589508385.db2.gz WBJPNCDOPQIUQM-NXEZZACHSA-N 2 0 238.339 -0.188 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2nnnn2C)C1 ZINC000866659857 589508268 /nfs/dbraw/zinc/50/82/68/589508268.db2.gz WBJPNCDOPQIUQM-UWVGGRQHSA-N 2 0 238.339 -0.188 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2nnnn2C)C1 ZINC000866659858 589508244 /nfs/dbraw/zinc/50/82/44/589508244.db2.gz WBJPNCDOPQIUQM-VHSXEESVSA-N 2 0 238.339 -0.188 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2nnnn2C)C1 ZINC000866659859 589508164 /nfs/dbraw/zinc/50/81/64/589508164.db2.gz WBJPNCDOPQIUQM-ZJUUUORDSA-N 2 0 238.339 -0.188 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+](CCc2nnnn2C)CC1 ZINC000866659920 589508095 /nfs/dbraw/zinc/50/80/95/589508095.db2.gz XWYHHLFIYFIEMH-SECBINFHSA-N 2 0 238.339 -0.188 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+](CCc2nnnn2C)CC1 ZINC000866659921 589508196 /nfs/dbraw/zinc/50/81/96/589508196.db2.gz XWYHHLFIYFIEMH-VIFPVBQESA-N 2 0 238.339 -0.188 20 0 BBADRP C[NH2+]CC1CC[NH+](CCc2nnnn2C)CC1 ZINC000866659955 589508259 /nfs/dbraw/zinc/50/82/59/589508259.db2.gz YPFVYERKRGZVAU-UHFFFAOYSA-N 2 0 238.339 -0.316 20 0 BBADRP Cn1nnnc1CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000866661010 589508939 /nfs/dbraw/zinc/50/89/39/589508939.db2.gz KIFIOPOSUCLATG-UHFFFAOYSA-N 2 0 226.328 -0.331 20 0 BBADRP C[C@H]1OCC[C@@H]1CN(CC[NH3+])CCO ZINC000866661904 589508887 /nfs/dbraw/zinc/50/88/87/589508887.db2.gz WOHCBFGDYWDPKT-NXEZZACHSA-N 2 0 202.298 -0.336 20 0 BBADRP C[C@@H]1OCC[C@H]1CN(CC[NH3+])CCO ZINC000866661905 589508975 /nfs/dbraw/zinc/50/89/75/589508975.db2.gz WOHCBFGDYWDPKT-UWVGGRQHSA-N 2 0 202.298 -0.336 20 0 BBADRP Cn1nnnc1CC[NH+]1CCC(C[NH3+])CC1 ZINC000866661970 589509080 /nfs/dbraw/zinc/50/90/80/589509080.db2.gz MBTGOVCLZYKSRF-UHFFFAOYSA-N 2 0 224.312 -0.577 20 0 BBADRP Cn1nnnc1CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000866662103 589509035 /nfs/dbraw/zinc/50/90/35/589509035.db2.gz XGVOUYMFHJISCB-UHFFFAOYSA-N 2 0 238.339 -0.046 20 0 BBADRP CC[C@@H]1C[N@H+](CCc2nnnn2C)CC[C@H]1[NH3+] ZINC000866663459 584121677 /nfs/dbraw/zinc/12/16/77/584121677.db2.gz GQZLHKNPVDDRFY-NXEZZACHSA-N 2 0 238.339 -0.188 20 0 BBADRP CC[C@H]1C[N@H+](CCc2nnnn2C)CC[C@@H]1[NH3+] ZINC000866663460 584121672 /nfs/dbraw/zinc/12/16/72/584121672.db2.gz GQZLHKNPVDDRFY-UWVGGRQHSA-N 2 0 238.339 -0.188 20 0 BBADRP CC[C@H]1C[N@H+](CCc2nnnn2C)CC[C@H]1[NH3+] ZINC000866663461 584121646 /nfs/dbraw/zinc/12/16/46/584121646.db2.gz GQZLHKNPVDDRFY-VHSXEESVSA-N 2 0 238.339 -0.188 20 0 BBADRP CC[C@@H]1C[N@H+](CCc2nnnn2C)CC[C@@H]1[NH3+] ZINC000866663462 584121638 /nfs/dbraw/zinc/12/16/38/584121638.db2.gz GQZLHKNPVDDRFY-ZJUUUORDSA-N 2 0 238.339 -0.188 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664583 589509557 /nfs/dbraw/zinc/50/95/57/589509557.db2.gz HFCQKCJSHKPDBV-JTQLQIEISA-N 2 0 238.339 -0.187 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664584 589509665 /nfs/dbraw/zinc/50/96/65/589509665.db2.gz HFCQKCJSHKPDBV-SNVBAGLBSA-N 2 0 238.339 -0.187 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000866664687 589509625 /nfs/dbraw/zinc/50/96/25/589509625.db2.gz JXFWORIWCZSYFY-JTQLQIEISA-N 2 0 224.312 -0.577 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000866664688 589509910 /nfs/dbraw/zinc/50/99/10/589509910.db2.gz JXFWORIWCZSYFY-SNVBAGLBSA-N 2 0 224.312 -0.577 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000866665710 589509428 /nfs/dbraw/zinc/50/94/28/589509428.db2.gz ZRCGAKCGIGWIFX-JTQLQIEISA-N 2 0 238.339 -0.044 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000866665712 589509273 /nfs/dbraw/zinc/50/92/73/589509273.db2.gz ZRCGAKCGIGWIFX-SNVBAGLBSA-N 2 0 238.339 -0.044 20 0 BBADRP C[C@@H]1CC[N@H+](CCc2nnnn2C)C[C@H]1C[NH3+] ZINC000866666027 589509422 /nfs/dbraw/zinc/50/94/22/589509422.db2.gz KUVSUOHBZBNNEB-NXEZZACHSA-N 2 0 238.339 -0.331 20 0 BBADRP C[C@H]1CC[N@H+](CCc2nnnn2C)C[C@@H]1C[NH3+] ZINC000866666028 589509484 /nfs/dbraw/zinc/50/94/84/589509484.db2.gz KUVSUOHBZBNNEB-UWVGGRQHSA-N 2 0 238.339 -0.331 20 0 BBADRP C[C@H]1CC[N@H+](CCc2nnnn2C)C[C@H]1C[NH3+] ZINC000866666029 589509474 /nfs/dbraw/zinc/50/94/74/589509474.db2.gz KUVSUOHBZBNNEB-VHSXEESVSA-N 2 0 238.339 -0.331 20 0 BBADRP C[C@@H]1CC[N@H+](CCc2nnnn2C)C[C@@H]1C[NH3+] ZINC000866666030 589509515 /nfs/dbraw/zinc/50/95/15/589509515.db2.gz KUVSUOHBZBNNEB-ZJUUUORDSA-N 2 0 238.339 -0.331 20 0 BBADRP Cn1nnnc1CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000866666856 589509686 /nfs/dbraw/zinc/50/96/86/589509686.db2.gz WQTPBCAIRNMUMR-SECBINFHSA-N 2 0 238.339 -0.270 20 0 BBADRP Cn1nnnc1CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000866666857 589509497 /nfs/dbraw/zinc/50/94/97/589509497.db2.gz WQTPBCAIRNMUMR-VIFPVBQESA-N 2 0 238.339 -0.270 20 0 BBADRP Cn1nnnc1CCN1CCC2(CC[NH2+]2)CC1 ZINC000866667678 589510189 /nfs/dbraw/zinc/51/01/89/589510189.db2.gz UXFIJQFELICDST-UHFFFAOYSA-N 2 0 236.323 -0.420 20 0 BBADRP Cn1nnnc1CC[NH+]1CCC(CC[NH3+])CC1 ZINC000866668657 589510202 /nfs/dbraw/zinc/51/02/02/589510202.db2.gz HEIIDWDEIMYLQB-UHFFFAOYSA-N 2 0 238.339 -0.187 20 0 BBADRP C[C@@H]1C[N@H+](CCc2nnnn2C)C[C@H]1C[NH3+] ZINC000866672568 589510871 /nfs/dbraw/zinc/51/08/71/589510871.db2.gz OBSGXOSLAVLIKG-RKDXNWHRSA-N 2 0 224.312 -0.721 20 0 BBADRP CC1(C)CC[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC000866699082 589513139 /nfs/dbraw/zinc/51/31/39/589513139.db2.gz IEEIGEAYRNJCGR-UHFFFAOYSA-N 2 0 240.395 -0.035 20 0 BBADRP C[NH2+]CCC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866700927 589513133 /nfs/dbraw/zinc/51/31/33/589513133.db2.gz CLPTYHQRDUKGAT-DTORHVGOSA-N 2 0 225.292 -0.858 20 0 BBADRP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701876 589513872 /nfs/dbraw/zinc/51/38/72/589513872.db2.gz PXJBTARKEYHAPZ-BBBLOLIVSA-N 2 0 237.303 -0.858 20 0 BBADRP CN1C(=O)[C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]2C1=O ZINC000866701877 589514044 /nfs/dbraw/zinc/51/40/44/589514044.db2.gz PXJBTARKEYHAPZ-LPEHRKFASA-N 2 0 237.303 -0.858 20 0 BBADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000866702566 589513321 /nfs/dbraw/zinc/51/33/21/589513321.db2.gz CUHCWXBUHMKPJW-MNOVXSKESA-N 2 0 216.325 -0.067 20 0 BBADRP O[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000866702675 589513541 /nfs/dbraw/zinc/51/35/41/589513541.db2.gz FADOREFIUSMOMF-AXFHLTTASA-N 2 0 214.309 -0.587 20 0 BBADRP O[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000866702682 589513376 /nfs/dbraw/zinc/51/33/76/589513376.db2.gz FADOREFIUSMOMF-MXWKQRLJSA-N 2 0 214.309 -0.587 20 0 BBADRP CC1(C)C[C@@H](O)C[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000866703336 589513667 /nfs/dbraw/zinc/51/36/67/589513667.db2.gz LNYYACVSFJZORR-GFCCVEGCSA-N 2 0 241.379 -0.016 20 0 BBADRP CC1(C)C[C@H](O)C[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000866703337 589513316 /nfs/dbraw/zinc/51/33/16/589513316.db2.gz LNYYACVSFJZORR-LBPRGKRZSA-N 2 0 241.379 -0.016 20 0 BBADRP O[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1O ZINC000866703433 589513486 /nfs/dbraw/zinc/51/34/86/589513486.db2.gz MEKRXUXAZZEPRJ-AXFHLTTASA-N 2 0 214.309 -0.587 20 0 BBADRP O[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1O ZINC000866703434 589513957 /nfs/dbraw/zinc/51/39/57/589513957.db2.gz MEKRXUXAZZEPRJ-MXWKQRLJSA-N 2 0 214.309 -0.587 20 0 BBADRP O[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1O ZINC000866704129 589513642 /nfs/dbraw/zinc/51/36/42/589513642.db2.gz RCGHAPRRHKGGNQ-NEPJUHHUSA-N 2 0 228.336 -0.196 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866704286 589514027 /nfs/dbraw/zinc/51/40/27/589514027.db2.gz SQGIWAYAEVDFLS-AGIUHOORSA-N 2 0 241.379 -0.017 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866704289 636931970 /nfs/dbraw/zinc/93/19/70/636931970.db2.gz SQGIWAYAEVDFLS-AVGNSLFASA-N 2 0 241.379 -0.017 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866704293 636932379 /nfs/dbraw/zinc/93/23/79/636932379.db2.gz SQGIWAYAEVDFLS-UPJWGTAASA-N 2 0 241.379 -0.017 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866704299 636932346 /nfs/dbraw/zinc/93/23/46/636932346.db2.gz SQGIWAYAEVDFLS-XQQFMLRXSA-N 2 0 241.379 -0.017 20 0 BBADRP O[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000866704616 589513923 /nfs/dbraw/zinc/51/39/23/589513923.db2.gz WMSBNYOTMDKNEH-MNOVXSKESA-N 2 0 214.309 -0.587 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(CCOCC[NH3+])CC[C@@H]21 ZINC000866704775 589513548 /nfs/dbraw/zinc/51/35/48/589513548.db2.gz XSPNOXBEHSCOHK-NEPJUHHUSA-N 2 0 227.352 -0.012 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(CCOCC[NH3+])CC[C@H]21 ZINC000866704776 589514410 /nfs/dbraw/zinc/51/44/10/589514410.db2.gz XSPNOXBEHSCOHK-NWDGAFQWSA-N 2 0 227.352 -0.012 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(CCOCC[NH3+])CC[C@@H]21 ZINC000866704778 589514379 /nfs/dbraw/zinc/51/43/79/589514379.db2.gz XSPNOXBEHSCOHK-RYUDHWBXSA-N 2 0 227.352 -0.012 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(CCOCC[NH3+])CC[C@H]21 ZINC000866704780 589514441 /nfs/dbraw/zinc/51/44/41/589514441.db2.gz XSPNOXBEHSCOHK-VXGBXAGGSA-N 2 0 227.352 -0.012 20 0 BBADRP O[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000866704794 589513503 /nfs/dbraw/zinc/51/35/03/589513503.db2.gz XXZGYIZOHVDTGG-TUAOUCFPSA-N 2 0 228.336 -0.196 20 0 BBADRP O[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000866704795 589513442 /nfs/dbraw/zinc/51/34/42/589513442.db2.gz XXZGYIZOHVDTGG-UTUOFQBUSA-N 2 0 228.336 -0.196 20 0 BBADRP CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710332 589514683 /nfs/dbraw/zinc/51/46/83/589514683.db2.gz YOIANKFHMPELBG-AEJSXWLSSA-N 2 0 225.292 -0.127 20 0 BBADRP CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710333 589514397 /nfs/dbraw/zinc/51/43/97/589514397.db2.gz YOIANKFHMPELBG-BBBLOLIVSA-N 2 0 225.292 -0.127 20 0 BBADRP C(CN1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724793 589515759 /nfs/dbraw/zinc/51/57/59/589515759.db2.gz MZAUKASFQDBLNT-CHWSQXEVSA-N 2 0 238.379 -0.282 20 0 BBADRP C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724795 589515753 /nfs/dbraw/zinc/51/57/53/589515753.db2.gz MZAUKASFQDBLNT-OLZOCXBDSA-N 2 0 238.379 -0.282 20 0 BBADRP C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724797 589515802 /nfs/dbraw/zinc/51/58/02/589515802.db2.gz MZAUKASFQDBLNT-QWHCGFSZSA-N 2 0 238.379 -0.282 20 0 BBADRP C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724798 589515747 /nfs/dbraw/zinc/51/57/47/589515747.db2.gz MZAUKASFQDBLNT-STQMWFEESA-N 2 0 238.379 -0.282 20 0 BBADRP [NH3+]CCOCCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725742 589516450 /nfs/dbraw/zinc/51/64/50/589516450.db2.gz QLRSHIWDTCWUOK-GHMZBOCLSA-N 2 0 213.325 -0.212 20 0 BBADRP [NH3+]CCOCCN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725752 589516567 /nfs/dbraw/zinc/51/65/67/589516567.db2.gz QLRSHIWDTCWUOK-MNOVXSKESA-N 2 0 213.325 -0.212 20 0 BBADRP [NH3+]CCOCCN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725754 589516431 /nfs/dbraw/zinc/51/64/31/589516431.db2.gz QLRSHIWDTCWUOK-QWRGUYRKSA-N 2 0 213.325 -0.212 20 0 BBADRP [NH3+]CCOCCN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725756 589516290 /nfs/dbraw/zinc/51/62/90/589516290.db2.gz QLRSHIWDTCWUOK-WDEREUQCSA-N 2 0 213.325 -0.212 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866726305 589516535 /nfs/dbraw/zinc/51/65/35/589516535.db2.gz YGFAMGHMKCFEFA-GRYCIOLGSA-N 2 0 225.336 -0.199 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866726306 589516195 /nfs/dbraw/zinc/51/61/95/589516195.db2.gz YGFAMGHMKCFEFA-SDDRHHMPSA-N 2 0 225.336 -0.199 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726307 589516255 /nfs/dbraw/zinc/51/62/55/589516255.db2.gz YGFAMGHMKCFEFA-SRVKXCTJSA-N 2 0 225.336 -0.199 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726308 589516497 /nfs/dbraw/zinc/51/64/97/589516497.db2.gz YGFAMGHMKCFEFA-WOPDTQHZSA-N 2 0 225.336 -0.199 20 0 BBADRP C[C@@H](C[NH3+])NS(=O)(=O)CCC[NH+](C)C ZINC000866756994 589517858 /nfs/dbraw/zinc/51/78/58/589517858.db2.gz GIDUXQHALPZCKF-QMMMGPOBSA-N 2 0 223.342 -0.795 20 0 BBADRP C[C@@H](C[NH3+])NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866757183 589517756 /nfs/dbraw/zinc/51/77/56/589517756.db2.gz LRTRYJMBNVONON-JTQLQIEISA-N 2 0 249.380 -0.261 20 0 BBADRP C[NH2+]CCN(C)S(=O)(=O)CCC[NH+](C)C ZINC000866759880 589517849 /nfs/dbraw/zinc/51/78/49/589517849.db2.gz JDGMRPXLSUBYIR-UHFFFAOYSA-N 2 0 237.369 -0.581 20 0 BBADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)CCC[NH+](C)C ZINC000866781066 589518199 /nfs/dbraw/zinc/51/81/99/589518199.db2.gz LQGQSSAQOZBJMB-SECBINFHSA-N 2 0 237.369 -0.453 20 0 BBADRP C[C@H]([NH3+])CN(C)S(=O)(=O)CCC[NH+](C)C ZINC000866781067 589518544 /nfs/dbraw/zinc/51/85/44/589518544.db2.gz LQGQSSAQOZBJMB-VIFPVBQESA-N 2 0 237.369 -0.453 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000866806018 589519086 /nfs/dbraw/zinc/51/90/86/589519086.db2.gz RTELOVHPZCFRDU-AOOOYVTPSA-N 2 0 249.380 -0.405 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000866807369 589519304 /nfs/dbraw/zinc/51/93/04/589519304.db2.gz RTELOVHPZCFRDU-MGCOHNPYSA-N 2 0 249.380 -0.405 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868005138 589543925 /nfs/dbraw/zinc/54/39/25/589543925.db2.gz JAXOJZBACKVKGK-SNVBAGLBSA-N 2 0 243.351 -0.273 20 0 BBADRP C[C@@H](NC(=O)C1([NH3+])CC1)C1CC[NH2+]CC1 ZINC000868005616 589543995 /nfs/dbraw/zinc/54/39/95/589543995.db2.gz SEKVRSFASDAGGU-MRVPVSSYSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C1CC[NH2+]CC1 ZINC000868006594 589543898 /nfs/dbraw/zinc/54/38/98/589543898.db2.gz UPNXBAAKTPADTB-PSASIEDQSA-N 2 0 211.309 -0.147 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012624 589544159 /nfs/dbraw/zinc/54/41/59/589544159.db2.gz JAXOJZBACKVKGK-JTQLQIEISA-N 2 0 243.351 -0.273 20 0 BBADRP C[C@H](NC(=O)[C@H]1CC[NH2+]1)C1CC[NH2+]CC1 ZINC000868012770 589544166 /nfs/dbraw/zinc/54/41/66/589544166.db2.gz UPNXBAAKTPADTB-WCBMZHEXSA-N 2 0 211.309 -0.147 20 0 BBADRP C[C@H](NC(=O)C1([NH3+])CC1)C1CC[NH2+]CC1 ZINC000868013319 589544304 /nfs/dbraw/zinc/54/43/04/589544304.db2.gz SEKVRSFASDAGGU-QMMMGPOBSA-N 2 0 211.309 -0.018 20 0 BBADRP C[NH2+]CC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000868038969 589545974 /nfs/dbraw/zinc/54/59/74/589545974.db2.gz IAUBCBSMRSULDM-UHFFFAOYSA-N 2 0 229.324 -0.519 20 0 BBADRP COCCC1(NC(=O)C[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000868039294 589545793 /nfs/dbraw/zinc/54/57/93/589545793.db2.gz SWDDYNIENMHLJR-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP COCCC1(NC(=O)C[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000868039295 589545572 /nfs/dbraw/zinc/54/55/72/589545572.db2.gz SWDDYNIENMHLJR-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP CC[NH2+]CC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000868042032 589545706 /nfs/dbraw/zinc/54/57/06/589545706.db2.gz IPUKBKLTBGMTNC-UHFFFAOYSA-N 2 0 243.351 -0.129 20 0 BBADRP C[NH2+][C@@H](C)C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000868043701 589546548 /nfs/dbraw/zinc/54/65/48/589546548.db2.gz QZAAJWPAYFODLU-JTQLQIEISA-N 2 0 243.351 -0.131 20 0 BBADRP COCCC1(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC[NH2+]CC1 ZINC000868043939 589546367 /nfs/dbraw/zinc/54/63/67/589546367.db2.gz WCPUIBJAQYBPGY-ZJUUUORDSA-N 2 0 241.335 -0.392 20 0 BBADRP COCCC1(NC(=O)[C@@H](C)C[NH3+])CC[NH2+]CC1 ZINC000868044155 589546163 /nfs/dbraw/zinc/54/61/63/589546163.db2.gz HNFFXBNDMPEFOG-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP COCCC1(NC(=O)[C@H](C)C[NH3+])CC[NH2+]CC1 ZINC000868044156 589546435 /nfs/dbraw/zinc/54/64/35/589546435.db2.gz HNFFXBNDMPEFOG-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP COCCC1(NC(=O)[C@H]2CC[NH2+]2)CC[NH2+]CC1 ZINC000868044803 589545902 /nfs/dbraw/zinc/54/59/02/589545902.db2.gz ODWIQXHBXSWEKO-SNVBAGLBSA-N 2 0 241.335 -0.377 20 0 BBADRP C[NH+](C)C[C@@H]1CN(C(=O)CO)C[C@H]1C[NH+](C)C ZINC000870022463 589643167 /nfs/dbraw/zinc/64/31/67/589643167.db2.gz SNNABBQGYZOXFZ-GHMZBOCLSA-N 2 0 243.351 -0.824 20 0 BBADRP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH2+]CC1 ZINC000870853341 589691495 /nfs/dbraw/zinc/69/14/95/589691495.db2.gz YIJOHRIXHBUPLW-UHFFFAOYSA-N 2 0 223.320 -0.050 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]1 ZINC000870913366 589696913 /nfs/dbraw/zinc/69/69/13/589696913.db2.gz TUJSZISQXSPCBM-SVDPJWKOSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]1 ZINC000870913369 589696887 /nfs/dbraw/zinc/69/68/87/589696887.db2.gz TUJSZISQXSPCBM-WYFGTUCQSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000870914707 589696783 /nfs/dbraw/zinc/69/67/83/589696783.db2.gz RIAZEUBXJHXNCR-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000870914708 589696702 /nfs/dbraw/zinc/69/67/02/589696702.db2.gz RIAZEUBXJHXNCR-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000870914709 589696890 /nfs/dbraw/zinc/69/68/90/589696890.db2.gz RIAZEUBXJHXNCR-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000870914710 589696703 /nfs/dbraw/zinc/69/67/03/589696703.db2.gz RIAZEUBXJHXNCR-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870932263 589697754 /nfs/dbraw/zinc/69/77/54/589697754.db2.gz BCKDTXKLPATLJM-KLBPJQLPSA-N 2 0 223.320 -0.066 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870932264 589697680 /nfs/dbraw/zinc/69/76/80/589697680.db2.gz BCKDTXKLPATLJM-WDCWCFNPSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000870932340 589697817 /nfs/dbraw/zinc/69/78/17/589697817.db2.gz DWJDCPTVXCFKKD-AEJSXWLSSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000870932341 589698176 /nfs/dbraw/zinc/69/81/76/589698176.db2.gz DWJDCPTVXCFKKD-GUBZILKMSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000870932342 589698192 /nfs/dbraw/zinc/69/81/92/589698192.db2.gz DWJDCPTVXCFKKD-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000870932343 589698227 /nfs/dbraw/zinc/69/82/27/589698227.db2.gz DWJDCPTVXCFKKD-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870932533 589698197 /nfs/dbraw/zinc/69/81/97/589698197.db2.gz HLQRWEIICPZYNQ-UHFFFAOYSA-N 2 0 211.309 -0.016 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870932634 589698179 /nfs/dbraw/zinc/69/81/79/589698179.db2.gz IPEPUOSANXFDQX-YWVKMMECSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000870933018 589698191 /nfs/dbraw/zinc/69/81/91/589698191.db2.gz NSGAIGGOCBRCBO-QCBRBAQYSA-N 2 0 209.293 -0.408 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000870933019 589697962 /nfs/dbraw/zinc/69/79/62/589697962.db2.gz NSGAIGGOCBRCBO-YSSBGUOXSA-N 2 0 209.293 -0.408 20 0 BBADRP O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1CC[NH2+]C1 ZINC000870933182 589698089 /nfs/dbraw/zinc/69/80/89/589698089.db2.gz QPDRMEKUCAGLAO-SQLBVSGCSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1CC[NH2+]C1 ZINC000870933183 589698056 /nfs/dbraw/zinc/69/80/56/589698056.db2.gz QPDRMEKUCAGLAO-YZRBJQDESA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(CC[NH2+]CC1CC1)N[C@H]1CC[NH2+]C1 ZINC000870933214 589698189 /nfs/dbraw/zinc/69/81/89/589698189.db2.gz RFVDMRLGPOLRMQ-JTQLQIEISA-N 2 0 211.309 -0.146 20 0 BBADRP O=C(CC[NH2+]CC1CC1)N[C@@H]1CC[NH2+]C1 ZINC000870933215 589698108 /nfs/dbraw/zinc/69/81/08/589698108.db2.gz RFVDMRLGPOLRMQ-SNVBAGLBSA-N 2 0 211.309 -0.146 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000870933442 589698129 /nfs/dbraw/zinc/69/81/29/589698129.db2.gz YRMOZJKSMYEPNH-BTQIBKBOSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000870933443 589697995 /nfs/dbraw/zinc/69/79/95/589697995.db2.gz YRMOZJKSMYEPNH-MIZYBKAJSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870933580 589698091 /nfs/dbraw/zinc/69/80/91/589698091.db2.gz QJNAAMMCJYAVJB-SNVBAGLBSA-N 2 0 211.309 -0.064 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870934461 589698394 /nfs/dbraw/zinc/69/83/94/589698394.db2.gz OJBGGZFOFRSPGF-SVDPJWKOSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870934462 589698345 /nfs/dbraw/zinc/69/83/45/589698345.db2.gz OJBGGZFOFRSPGF-WYFGTUCQSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870934651 589698366 /nfs/dbraw/zinc/69/83/66/589698366.db2.gz QJNAAMMCJYAVJB-JTQLQIEISA-N 2 0 211.309 -0.064 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870935122 589698589 /nfs/dbraw/zinc/69/85/89/589698589.db2.gz KFPBWDMEOBDGSU-YWVKMMECSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870935591 589698405 /nfs/dbraw/zinc/69/84/05/589698405.db2.gz ZDTXKQMREGBAPD-DKIAZLNASA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000870935814 589698377 /nfs/dbraw/zinc/69/83/77/589698377.db2.gz TZPSKFVNSVYUOB-BTQIBKBOSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000870935890 589698445 /nfs/dbraw/zinc/69/84/45/589698445.db2.gz TZPSKFVNSVYUOB-MIZYBKAJSA-N 2 0 223.320 -0.018 20 0 BBADRP C[NH2+]CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870935981 589698328 /nfs/dbraw/zinc/69/83/28/589698328.db2.gz WGUZHUYAARTAHI-UHFFFAOYSA-N 2 0 211.309 -0.146 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[NH2+]C2CC2)C1 ZINC000870936103 589698389 /nfs/dbraw/zinc/69/83/89/589698389.db2.gz ZLFHINXJZXXEBE-YGOYTEALSA-N 2 0 223.320 -0.018 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870936240 589698376 /nfs/dbraw/zinc/69/83/76/589698376.db2.gz DZMAFCTZDYPQNR-DKIAZLNASA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870936241 589698501 /nfs/dbraw/zinc/69/85/01/589698501.db2.gz DZMAFCTZDYPQNR-REIXXSIJSA-N 2 0 211.309 -0.081 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870936919 589698921 /nfs/dbraw/zinc/69/89/21/589698921.db2.gz GPCOXLGMSWLYQL-YWVKMMECSA-N 2 0 211.309 -0.079 20 0 BBADRP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1CC[NH2+]C1 ZINC000870937242 589698948 /nfs/dbraw/zinc/69/89/48/589698948.db2.gz XKVBLUVUCSCFCS-KLBPJQLPSA-N 2 0 223.320 -0.066 20 0 BBADRP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H]1CC[NH2+]C1 ZINC000870937243 589698655 /nfs/dbraw/zinc/69/86/55/589698655.db2.gz XKVBLUVUCSCFCS-WDCWCFNPSA-N 2 0 223.320 -0.066 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870937592 589698895 /nfs/dbraw/zinc/69/88/95/589698895.db2.gz NLOHOAKBCJWJCA-FYBVGQRMSA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000870937854 589698961 /nfs/dbraw/zinc/69/89/61/589698961.db2.gz BQACOZKQFRHJNK-HLTSFMKQSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000870937859 589698685 /nfs/dbraw/zinc/69/86/85/589698685.db2.gz BQACOZKQFRHJNK-HRDYMLBCSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000870937860 589698964 /nfs/dbraw/zinc/69/89/64/589698964.db2.gz BQACOZKQFRHJNK-IWSPIJDZSA-N 2 0 215.297 -0.702 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000870937862 589698810 /nfs/dbraw/zinc/69/88/10/589698810.db2.gz BQACOZKQFRHJNK-VGMNWLOBSA-N 2 0 215.297 -0.702 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC1 ZINC000870938186 636384949 /nfs/dbraw/zinc/38/49/49/636384949.db2.gz ZJSUKAZUAVJJBV-KLBPJQLPSA-N 2 0 223.320 -0.033 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC1 ZINC000870938187 636384516 /nfs/dbraw/zinc/38/45/16/636384516.db2.gz ZJSUKAZUAVJJBV-WDCWCFNPSA-N 2 0 223.320 -0.033 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870938712 589699274 /nfs/dbraw/zinc/69/92/74/589699274.db2.gz DECGMILIEJARIP-DKIAZLNASA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870938713 589699182 /nfs/dbraw/zinc/69/91/82/589699182.db2.gz DECGMILIEJARIP-REIXXSIJSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC1 ZINC000870938810 589699061 /nfs/dbraw/zinc/69/90/61/589699061.db2.gz FZPIDCSZRWPUGM-KLBPJQLPSA-N 2 0 223.320 -0.033 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC1 ZINC000870938811 589699217 /nfs/dbraw/zinc/69/92/17/589699217.db2.gz FZPIDCSZRWPUGM-WDCWCFNPSA-N 2 0 223.320 -0.033 20 0 BBADRP O=C(CC[NH2+]CC1CC1)NCC1C[NH2+]C1 ZINC000870938853 589699327 /nfs/dbraw/zinc/69/93/27/589699327.db2.gz HFZWSNVCMKOUDT-UHFFFAOYSA-N 2 0 211.309 -0.288 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870938941 589699306 /nfs/dbraw/zinc/69/93/06/589699306.db2.gz WWMURONESJAQLA-DKIAZLNASA-N 2 0 211.309 -0.175 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870938942 589699138 /nfs/dbraw/zinc/69/91/38/589699138.db2.gz WWMURONESJAQLA-REIXXSIJSA-N 2 0 211.309 -0.175 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870939473 589699328 /nfs/dbraw/zinc/69/93/28/589699328.db2.gz UYAYQXSETLKVDW-SCVCMEIPSA-N 2 0 241.335 -0.534 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870939570 589696934 /nfs/dbraw/zinc/69/69/34/589696934.db2.gz YCENQFZCZMKKPA-PHIMTYICSA-N 2 0 243.351 -0.144 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870939571 589696718 /nfs/dbraw/zinc/69/67/18/589696718.db2.gz YCENQFZCZMKKPA-XYPYZODXSA-N 2 0 243.351 -0.144 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870939697 589699262 /nfs/dbraw/zinc/69/92/62/589699262.db2.gz BZGXVLZULCXCRQ-SILCLGDVSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H](C[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870939830 589699141 /nfs/dbraw/zinc/69/91/41/589699141.db2.gz BZGXVLZULCXCRQ-FKTRJACZSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000870941091 589699751 /nfs/dbraw/zinc/69/97/51/589699751.db2.gz QFBBCHCFTOOGOM-MXWKQRLJSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)CCO1 ZINC000870941686 589699668 /nfs/dbraw/zinc/69/96/68/589699668.db2.gz YDXUBYARFFKYRC-LLVKDONJSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)CC[NH2+]CC2CC2)CCO1 ZINC000870941687 589699644 /nfs/dbraw/zinc/69/96/44/589699644.db2.gz YDXUBYARFFKYRC-NSHDSACASA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000870941857 589699740 /nfs/dbraw/zinc/69/97/40/589699740.db2.gz BJTRUEIPDHVBTC-VLLVSFFDSA-N 2 0 235.331 -0.208 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870942626 589700061 /nfs/dbraw/zinc/70/00/61/589700061.db2.gz QYKABYXFCPWMAT-FKTRJACZSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]([NH3+])CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870942627 589699864 /nfs/dbraw/zinc/69/98/64/589699864.db2.gz QYKABYXFCPWMAT-SILCLGDVSA-N 2 0 211.309 -0.018 20 0 BBADRP CN(CC[NH3+])C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870944663 589700067 /nfs/dbraw/zinc/70/00/67/589700067.db2.gz BYGLNPSKJVNIJH-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000870945000 589699879 /nfs/dbraw/zinc/69/98/79/589699879.db2.gz MTMOPZYRYSXKCQ-OOTJXSFTSA-N 2 0 235.331 -0.066 20 0 BBADRP O=C(CC[NH2+]CC1CC1)NC[C@H]1C[NH2+]CCO1 ZINC000870945507 589700481 /nfs/dbraw/zinc/70/04/81/589700481.db2.gz KUOMGBYMNODQMV-LLVKDONJSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC[NH2+]CC1CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000870945508 589700245 /nfs/dbraw/zinc/70/02/45/589700245.db2.gz KUOMGBYMNODQMV-NSHDSACASA-N 2 0 241.335 -0.519 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870946010 589700443 /nfs/dbraw/zinc/70/04/43/589700443.db2.gz CCWXYVIIESYQTO-HJGDQZAQSA-N 2 0 211.309 -0.033 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870946014 589700314 /nfs/dbraw/zinc/70/03/14/589700314.db2.gz CCWXYVIIESYQTO-REIXXSIJSA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870946244 589700288 /nfs/dbraw/zinc/70/02/88/589700288.db2.gz FBZJSSYZMLFGMI-BIIVNPBRSA-N 2 0 211.309 -0.034 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870946245 589700588 /nfs/dbraw/zinc/70/05/88/589700588.db2.gz FBZJSSYZMLFGMI-CDDJKKQXSA-N 2 0 211.309 -0.034 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870946246 589700576 /nfs/dbraw/zinc/70/05/76/589700576.db2.gz FBZJSSYZMLFGMI-UBVHSMIISA-N 2 0 211.309 -0.034 20 0 BBADRP C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H](C)[NH3+] ZINC000870946247 589700345 /nfs/dbraw/zinc/70/03/45/589700345.db2.gz FBZJSSYZMLFGMI-VPWVSVFPSA-N 2 0 211.309 -0.034 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000870946676 589700465 /nfs/dbraw/zinc/70/04/65/589700465.db2.gz KNKSKVQNHDNDQX-GOVZDWNOSA-N 2 0 241.310 -0.070 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H]1[NH3+] ZINC000870946885 589700533 /nfs/dbraw/zinc/70/05/33/589700533.db2.gz VOFKFWIFNZXNFA-GPTQDWHKSA-N 2 0 223.320 -0.081 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000870956933 589701638 /nfs/dbraw/zinc/70/16/38/589701638.db2.gz PJVQPTVOVFOTFE-NJVCWHAMSA-N 2 0 235.331 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000870963101 589701742 /nfs/dbraw/zinc/70/17/42/589701742.db2.gz HRAGQYMCWMTQET-GUDRVLHUSA-N 2 0 239.319 -0.924 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000870963279 589701909 /nfs/dbraw/zinc/70/19/09/589701909.db2.gz IPGJLILWXZJNRM-RGOKHQFPSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000870963377 589701753 /nfs/dbraw/zinc/70/17/53/589701753.db2.gz MDBRQPYIJBYFDM-DTORHVGOSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964424 589701905 /nfs/dbraw/zinc/70/19/05/589701905.db2.gz CMPQEYBADZYCRJ-HRDYMLBCSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964425 589701918 /nfs/dbraw/zinc/70/19/18/589701918.db2.gz CMPQEYBADZYCRJ-YIZRAAEISA-N 2 0 211.309 -0.162 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000870964473 589702438 /nfs/dbraw/zinc/70/24/38/589702438.db2.gz FPUVMVALZGQNSR-AOOOYVTPSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000870964557 589702078 /nfs/dbraw/zinc/70/20/78/589702078.db2.gz GSQVMAPJGBNRST-AEJSXWLSSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000870964559 589702362 /nfs/dbraw/zinc/70/23/62/589702362.db2.gz GSQVMAPJGBNRST-KXUCPTDWSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000870964650 589702481 /nfs/dbraw/zinc/70/24/81/589702481.db2.gz IKJWDPFLFNWAHO-AEJSXWLSSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000870964651 589702199 /nfs/dbraw/zinc/70/21/99/589702199.db2.gz IKJWDPFLFNWAHO-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@H]([NH3+])C1)C1CCC1 ZINC000870964659 589702402 /nfs/dbraw/zinc/70/24/02/589702402.db2.gz IQLCFSHFCLMCQV-FKTZTGRPSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[C@H]([NH3+])C1)C1CCC1 ZINC000870964660 589702225 /nfs/dbraw/zinc/70/22/25/589702225.db2.gz IQLCFSHFCLMCQV-SFGNSQDASA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000870964676 589702136 /nfs/dbraw/zinc/70/21/36/589702136.db2.gz JBBDHQQDTDTCDZ-NGZCFLSTSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000870964884 589702339 /nfs/dbraw/zinc/70/23/39/589702339.db2.gz JBBDHQQDTDTCDZ-WCABBAIRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965453 589702237 /nfs/dbraw/zinc/70/22/37/589702237.db2.gz QTIMOANHHDBWQD-HLTSFMKQSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965454 589702182 /nfs/dbraw/zinc/70/21/82/589702182.db2.gz QTIMOANHHDBWQD-XHNCKOQMSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965681 589702483 /nfs/dbraw/zinc/70/24/83/589702483.db2.gz VSVSOXISPCRCID-AXTSPUMRSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965682 589702149 /nfs/dbraw/zinc/70/21/49/589702149.db2.gz VSVSOXISPCRCID-DOLQZWNJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965683 589702217 /nfs/dbraw/zinc/70/22/17/589702217.db2.gz VSVSOXISPCRCID-IMSYWVGJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965684 589702138 /nfs/dbraw/zinc/70/21/38/589702138.db2.gz VSVSOXISPCRCID-QEYWKRMJSA-N 2 0 211.309 -0.162 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000870965890 589702445 /nfs/dbraw/zinc/70/24/45/589702445.db2.gz WZHUHLYKRZHYAD-BBBLOLIVSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000870966042 589702106 /nfs/dbraw/zinc/70/21/06/589702106.db2.gz ZWZGQFARZLHIDM-KHQFGBGNSA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000870966043 589702324 /nfs/dbraw/zinc/70/23/24/589702324.db2.gz ZWZGQFARZLHIDM-XKSSXDPKSA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000870969142 589702839 /nfs/dbraw/zinc/70/28/39/589702839.db2.gz WLOVSCAQMUZAKB-AXFHLTTASA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000870969143 589702574 /nfs/dbraw/zinc/70/25/74/589702574.db2.gz WLOVSCAQMUZAKB-DCAQKATOSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000870969144 589702640 /nfs/dbraw/zinc/70/26/40/589702640.db2.gz WLOVSCAQMUZAKB-GMTAPVOTSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000870969145 589702894 /nfs/dbraw/zinc/70/28/94/589702894.db2.gz WLOVSCAQMUZAKB-OUAUKWLOSA-N 2 0 241.335 -0.392 20 0 BBADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971516 589703305 /nfs/dbraw/zinc/70/33/05/589703305.db2.gz CMPQEYBADZYCRJ-CIUDSAMLSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971517 589703249 /nfs/dbraw/zinc/70/32/49/589703249.db2.gz CMPQEYBADZYCRJ-IWSPIJDZSA-N 2 0 211.309 -0.162 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000870971605 589703282 /nfs/dbraw/zinc/70/32/82/589703282.db2.gz FPUVMVALZGQNSR-MGCOHNPYSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000870971721 589703303 /nfs/dbraw/zinc/70/33/03/589703303.db2.gz GSQVMAPJGBNRST-GUBZILKMSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000870971722 589703021 /nfs/dbraw/zinc/70/30/21/589703021.db2.gz GSQVMAPJGBNRST-OPRDCNLKSA-N 2 0 243.376 -0.065 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000870971760 589703798 /nfs/dbraw/zinc/70/37/98/589703798.db2.gz IKJWDPFLFNWAHO-GUBZILKMSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000870971761 589703539 /nfs/dbraw/zinc/70/35/39/589703539.db2.gz IKJWDPFLFNWAHO-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](C(=O)NC[C@@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000870971768 589703563 /nfs/dbraw/zinc/70/35/63/589703563.db2.gz IQLCFSHFCLMCQV-HGNGGELXSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000870971769 589703835 /nfs/dbraw/zinc/70/38/35/589703835.db2.gz IQLCFSHFCLMCQV-SZEHBUNVSA-N 2 0 211.309 -0.033 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000870971778 589703784 /nfs/dbraw/zinc/70/37/84/589703784.db2.gz JBBDHQQDTDTCDZ-FXPVBKGRSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000870971779 589703706 /nfs/dbraw/zinc/70/37/06/589703706.db2.gz JBBDHQQDTDTCDZ-QXEWZRGKSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972079 589703733 /nfs/dbraw/zinc/70/37/33/589703733.db2.gz QTIMOANHHDBWQD-CIUDSAMLSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972080 589703485 /nfs/dbraw/zinc/70/34/85/589703485.db2.gz QTIMOANHHDBWQD-IWSPIJDZSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972172 589703535 /nfs/dbraw/zinc/70/35/35/589703535.db2.gz VSVSOXISPCRCID-AATLWQCWSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972173 589703462 /nfs/dbraw/zinc/70/34/62/589703462.db2.gz VSVSOXISPCRCID-KYXWUPHJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972175 589703604 /nfs/dbraw/zinc/70/36/04/589703604.db2.gz VSVSOXISPCRCID-XKNYDFJKSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972177 589703778 /nfs/dbraw/zinc/70/37/78/589703778.db2.gz VSVSOXISPCRCID-ZYUZMQFOSA-N 2 0 211.309 -0.162 20 0 BBADRP CCN1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000870972212 589703723 /nfs/dbraw/zinc/70/37/23/589703723.db2.gz WNBRVHFAYXWHGX-DCAQKATOSA-N 2 0 241.335 -0.439 20 0 BBADRP CCN1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000870972213 589703767 /nfs/dbraw/zinc/70/37/67/589703767.db2.gz WNBRVHFAYXWHGX-GMTAPVOTSA-N 2 0 241.335 -0.439 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000870972239 589703544 /nfs/dbraw/zinc/70/35/44/589703544.db2.gz WZHUHLYKRZHYAD-OPRDCNLKSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000870972388 589703513 /nfs/dbraw/zinc/70/35/13/589703513.db2.gz ZWZGQFARZLHIDM-NQMVMOMDSA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000870972389 589703559 /nfs/dbraw/zinc/70/35/59/589703559.db2.gz ZWZGQFARZLHIDM-NRPADANISA-N 2 0 215.272 -0.459 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000870972479 589703695 /nfs/dbraw/zinc/70/36/95/589703695.db2.gz HRAGQYMCWMTQET-GMOBBJLQSA-N 2 0 239.319 -0.924 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000870972501 589703721 /nfs/dbraw/zinc/70/37/21/589703721.db2.gz IPGJLILWXZJNRM-KYXWUPHJSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000870972581 589703719 /nfs/dbraw/zinc/70/37/19/589703719.db2.gz MDBRQPYIJBYFDM-KYZUINATSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973869 589703969 /nfs/dbraw/zinc/70/39/69/589703969.db2.gz CYKPJBJIIKGVAH-ILWJIGKKSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974233 589704134 /nfs/dbraw/zinc/70/41/34/589704134.db2.gz JXERZKBDMOPATP-HPENLJRUSA-N 2 0 223.320 -0.020 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974663 589704176 /nfs/dbraw/zinc/70/41/76/589704176.db2.gz OBSLIVACIGKKMC-DOLQZWNJSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974664 589704088 /nfs/dbraw/zinc/70/40/88/589704088.db2.gz OBSLIVACIGKKMC-QEYWKRMJSA-N 2 0 211.309 -0.020 20 0 BBADRP COC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975094 589704027 /nfs/dbraw/zinc/70/40/27/589704027.db2.gz QVPRHKVZCACVLO-VLEAKVRGSA-N 2 0 241.335 -0.393 20 0 BBADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]1 ZINC000870975164 589704013 /nfs/dbraw/zinc/70/40/13/589704013.db2.gz RWBVCLSAUINNSS-LMLFDSFASA-N 2 0 223.320 -0.005 20 0 BBADRP C[NH2+]CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975242 589704180 /nfs/dbraw/zinc/70/41/80/589704180.db2.gz SWLMNFRWFGDQMK-ILWJIGKKSA-N 2 0 211.309 -0.147 20 0 BBADRP [NH3+]CCOCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975567 589704260 /nfs/dbraw/zinc/70/42/60/589704260.db2.gz XLLKYEMJUJTMLT-JGPRNRPPSA-N 2 0 241.335 -0.392 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980864 589704799 /nfs/dbraw/zinc/70/47/99/589704799.db2.gz DEEFDGUSNYDNAM-DCAQKATOSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980865 589704578 /nfs/dbraw/zinc/70/45/78/589704578.db2.gz DEEFDGUSNYDNAM-GARJFASQSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980866 589704654 /nfs/dbraw/zinc/70/46/54/589704654.db2.gz DEEFDGUSNYDNAM-OUAUKWLOSA-N 2 0 241.335 -0.487 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980867 589704597 /nfs/dbraw/zinc/70/45/97/589704597.db2.gz DEEFDGUSNYDNAM-VWYCJHECSA-N 2 0 241.335 -0.487 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980893 589704703 /nfs/dbraw/zinc/70/47/03/589704703.db2.gz DRBLVMGZJUCQFZ-AEJSXWLSSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980894 589704845 /nfs/dbraw/zinc/70/48/45/589704845.db2.gz DRBLVMGZJUCQFZ-BBBLOLIVSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980895 589704410 /nfs/dbraw/zinc/70/44/10/589704410.db2.gz DRBLVMGZJUCQFZ-GUBZILKMSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980896 589704455 /nfs/dbraw/zinc/70/44/55/589704455.db2.gz DRBLVMGZJUCQFZ-IVZWLZJFSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980897 589704635 /nfs/dbraw/zinc/70/46/35/589704635.db2.gz DRBLVMGZJUCQFZ-KXUCPTDWSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980898 589702664 /nfs/dbraw/zinc/70/26/64/589702664.db2.gz DRBLVMGZJUCQFZ-LPEHRKFASA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980899 589702938 /nfs/dbraw/zinc/70/29/38/589702938.db2.gz DRBLVMGZJUCQFZ-OPRDCNLKSA-N 2 0 211.309 -0.114 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH3+])CC[C@H]21 ZINC000870981235 583932781 /nfs/dbraw/zinc/93/27/81/583932781.db2.gz GPKSZSLZMKQJMT-GHMZBOCLSA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH3+])CC[C@@H]21 ZINC000870981236 583932761 /nfs/dbraw/zinc/93/27/61/583932761.db2.gz GPKSZSLZMKQJMT-MNOVXSKESA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)COCC[NH3+])CC[C@@H]21 ZINC000870981237 583932759 /nfs/dbraw/zinc/93/27/59/583932759.db2.gz GPKSZSLZMKQJMT-QWRGUYRKSA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)COCC[NH3+])CC[C@H]21 ZINC000870981238 583932757 /nfs/dbraw/zinc/93/27/57/583932757.db2.gz GPKSZSLZMKQJMT-WDEREUQCSA-N 2 0 241.335 -0.486 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH3+])CC[C@H]21 ZINC000870982156 583932900 /nfs/dbraw/zinc/93/29/00/583932900.db2.gz LROCZHSDLQQNHK-NXEZZACHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH3+])CC[C@@H]21 ZINC000870982164 583932918 /nfs/dbraw/zinc/93/29/18/583932918.db2.gz LROCZHSDLQQNHK-UWVGGRQHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH3+])CC[C@H]21 ZINC000870982167 583932954 /nfs/dbraw/zinc/93/29/54/583932954.db2.gz LROCZHSDLQQNHK-VHSXEESVSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH3+])CC[C@@H]21 ZINC000870982170 583932922 /nfs/dbraw/zinc/93/29/22/583932922.db2.gz LROCZHSDLQQNHK-ZJUUUORDSA-N 2 0 211.309 -0.112 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@H]21 ZINC000870982296 589705259 /nfs/dbraw/zinc/70/52/59/589705259.db2.gz MIMVNNRORZVGJZ-CHWFTXMASA-N 2 0 223.320 -0.114 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@@H]21 ZINC000870982298 589705123 /nfs/dbraw/zinc/70/51/23/589705123.db2.gz MIMVNNRORZVGJZ-VLEAKVRGSA-N 2 0 223.320 -0.114 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@@H]21 ZINC000870982299 589705621 /nfs/dbraw/zinc/70/56/21/589705621.db2.gz MIMVNNRORZVGJZ-ZNSHCXBVSA-N 2 0 223.320 -0.114 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@H]21 ZINC000870982301 589705392 /nfs/dbraw/zinc/70/53/92/589705392.db2.gz MIMVNNRORZVGJZ-ZRUFSTJUSA-N 2 0 223.320 -0.114 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983243 589705347 /nfs/dbraw/zinc/70/53/47/589705347.db2.gz TZHIKZRZXNZZEG-NXEZZACHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983244 589705513 /nfs/dbraw/zinc/70/55/13/589705513.db2.gz TZHIKZRZXNZZEG-UWVGGRQHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983245 589704139 /nfs/dbraw/zinc/70/41/39/589704139.db2.gz TZHIKZRZXNZZEG-VHSXEESVSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH2+]CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983246 589704166 /nfs/dbraw/zinc/70/41/66/589704166.db2.gz TZHIKZRZXNZZEG-ZJUUUORDSA-N 2 0 211.309 -0.242 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@@H]21 ZINC000870983598 636398627 /nfs/dbraw/zinc/39/86/27/636398627.db2.gz WWMCJKNJXXJBKK-AXFHLTTASA-N 2 0 223.320 -0.099 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@H]21 ZINC000870983600 636398777 /nfs/dbraw/zinc/39/87/77/636398777.db2.gz WWMCJKNJXXJBKK-GMTAPVOTSA-N 2 0 223.320 -0.099 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@H]21 ZINC000870983601 583933431 /nfs/dbraw/zinc/93/34/31/583933431.db2.gz WWMCJKNJXXJBKK-HBNTYKKESA-N 2 0 223.320 -0.099 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@@H]21 ZINC000870983603 583933419 /nfs/dbraw/zinc/93/34/19/583933419.db2.gz WWMCJKNJXXJBKK-MXWKQRLJSA-N 2 0 223.320 -0.099 20 0 BBADRP C[C@@H](NC(=O)COCC[NH3+])C1CC[NH2+]CC1 ZINC000870983812 589705040 /nfs/dbraw/zinc/70/50/40/589705040.db2.gz AVDNNEPFAQQXAF-SECBINFHSA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870984349 589705067 /nfs/dbraw/zinc/70/50/67/589705067.db2.gz PUJBUJRFLSAYNO-KOLCDFICSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870984350 589705021 /nfs/dbraw/zinc/70/50/21/589705021.db2.gz PUJBUJRFLSAYNO-MWLCHTKSSA-N 2 0 243.351 -0.146 20 0 BBADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000870984391 589705237 /nfs/dbraw/zinc/70/52/37/589705237.db2.gz RAERIYLJNNXBGC-KOLCDFICSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000870984392 589705170 /nfs/dbraw/zinc/70/51/70/589705170.db2.gz RAERIYLJNNXBGC-MWLCHTKSSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H](NC(=O)COCC[NH3+])C1CC[NH2+]CC1 ZINC000870985982 589705930 /nfs/dbraw/zinc/70/59/30/589705930.db2.gz AVDNNEPFAQQXAF-VIFPVBQESA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987638 589706897 /nfs/dbraw/zinc/70/68/97/589706897.db2.gz PUJBUJRFLSAYNO-GXSJLCMTSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987639 589707277 /nfs/dbraw/zinc/70/72/77/589707277.db2.gz PUJBUJRFLSAYNO-ONGXEEELSA-N 2 0 243.351 -0.146 20 0 BBADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000870987773 589706869 /nfs/dbraw/zinc/70/68/69/589706869.db2.gz RAERIYLJNNXBGC-GXSJLCMTSA-N 2 0 241.335 -0.521 20 0 BBADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000870987774 589706890 /nfs/dbraw/zinc/70/68/90/589706890.db2.gz RAERIYLJNNXBGC-ONGXEEELSA-N 2 0 241.335 -0.521 20 0 BBADRP COCCN(C)CCNC(=[NH2+])N(C)CCOC ZINC000871604177 589774256 /nfs/dbraw/zinc/77/42/56/589774256.db2.gz WPYZUUPQDOPSQL-UHFFFAOYSA-N 2 0 246.355 -0.333 20 0 BBADRP COCCN(C)C(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000871606873 589769724 /nfs/dbraw/zinc/76/97/24/589769724.db2.gz YEAXJSJGIBCAKW-LLVKDONJSA-N 2 0 244.339 -0.844 20 0 BBADRP COCCN(C)C(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000871606874 589769367 /nfs/dbraw/zinc/76/93/67/589769367.db2.gz YEAXJSJGIBCAKW-NSHDSACASA-N 2 0 244.339 -0.844 20 0 BBADRP CC(C)(O)C[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000871975634 589850538 /nfs/dbraw/zinc/85/05/38/589850538.db2.gz NMIIIUXVNFGKSA-AXFHLTTASA-N 2 0 228.336 -0.341 20 0 BBADRP CC(C)(O)C[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000871975635 589850500 /nfs/dbraw/zinc/85/05/00/589850500.db2.gz NMIIIUXVNFGKSA-DCAQKATOSA-N 2 0 228.336 -0.341 20 0 BBADRP CC(C)(O)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000871975741 589851144 /nfs/dbraw/zinc/85/11/44/589851144.db2.gz NMIIIUXVNFGKSA-MXWKQRLJSA-N 2 0 228.336 -0.341 20 0 BBADRP CC(C)(O)C[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000871975743 589850843 /nfs/dbraw/zinc/85/08/43/589850843.db2.gz NMIIIUXVNFGKSA-OUAUKWLOSA-N 2 0 228.336 -0.341 20 0 BBADRP CC(C)OC[C@@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000871975844 589850628 /nfs/dbraw/zinc/85/06/28/589850628.db2.gz QQZKTANKOBOSMZ-SRVKXCTJSA-N 2 0 228.336 -0.077 20 0 BBADRP Cn1nnnc1C1CC[NH+](CCC[NH3+])CC1 ZINC000872146323 589885061 /nfs/dbraw/zinc/88/50/61/589885061.db2.gz LJBZRZVETZZUCN-UHFFFAOYSA-N 2 0 224.312 -0.262 20 0 BBADRP C[NH2+]CCC[NH+]1CCC(C(=O)NOC)CC1 ZINC000872146787 589885303 /nfs/dbraw/zinc/88/53/03/589885303.db2.gz XIYPDOCWNWFDLV-UHFFFAOYSA-N 2 0 229.324 -0.015 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(CCOCC[NH3+])C2 ZINC000872153518 589885044 /nfs/dbraw/zinc/88/50/44/589885044.db2.gz BQCNJFLDDBBGDY-WDEREUQCSA-N 2 0 213.325 -0.497 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(CCN1CC[NH2+]CC1)C2 ZINC000872153565 589885030 /nfs/dbraw/zinc/88/50/30/589885030.db2.gz DZAIKWMIZFGTJE-QWHCGFSZSA-N 2 0 238.379 -0.567 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1C[NH2+]CCO1)C2 ZINC000872154551 589885863 /nfs/dbraw/zinc/88/58/63/589885863.db2.gz SLFUFVCOLSSXIC-QJPTWQEYSA-N 2 0 225.336 -0.484 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1C[NH2+]CCO1)C2 ZINC000872154552 589885912 /nfs/dbraw/zinc/88/59/12/589885912.db2.gz SLFUFVCOLSSXIC-SDDRHHMPSA-N 2 0 225.336 -0.484 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154834 589886045 /nfs/dbraw/zinc/88/60/45/589886045.db2.gz ZPZUHUNWPDGFSC-QJPTWQEYSA-N 2 0 227.352 -0.502 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154835 589885803 /nfs/dbraw/zinc/88/58/03/589885803.db2.gz ZPZUHUNWPDGFSC-TUAOUCFPSA-N 2 0 227.352 -0.502 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000872158209 589885958 /nfs/dbraw/zinc/88/59/58/589885958.db2.gz ZWXUWPAXWUOEBH-UHFFFAOYSA-N 2 0 241.335 -0.294 20 0 BBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872205352 589891724 /nfs/dbraw/zinc/89/17/24/589891724.db2.gz CLEYYMOTVFQIJW-LLVKDONJSA-N 2 0 248.367 -0.324 20 0 BBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872205353 589891499 /nfs/dbraw/zinc/89/14/99/589891499.db2.gz CLEYYMOTVFQIJW-NSHDSACASA-N 2 0 248.367 -0.324 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000872219403 589896036 /nfs/dbraw/zinc/89/60/36/589896036.db2.gz ZHCSMTXXUFHJDR-QWRGUYRKSA-N 2 0 246.351 -0.572 20 0 BBADRP COC[C@H](O)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000872219406 589895690 /nfs/dbraw/zinc/89/56/90/589895690.db2.gz ZHCSMTXXUFHJDR-WDEREUQCSA-N 2 0 246.351 -0.572 20 0 BBADRP O[C@@H](C[NH2+][C@@H]1CCOC[C@H]1O)C[NH+]1CCCC1 ZINC000872252415 589900439 /nfs/dbraw/zinc/90/04/39/589900439.db2.gz CJMZULMYVKXBEF-QJPTWQEYSA-N 2 0 244.335 -0.818 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872255786 589901187 /nfs/dbraw/zinc/90/11/87/589901187.db2.gz FGLFFDLLJXFISS-FYBVGQRMSA-N 2 0 211.309 -0.033 20 0 BBADRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000872289947 589906778 /nfs/dbraw/zinc/90/67/78/589906778.db2.gz GJRPITASNVYVGU-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000872289948 589906705 /nfs/dbraw/zinc/90/67/05/589906705.db2.gz GJRPITASNVYVGU-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP CC1(C)CC[NH2+]CCN1C(=O)COCC[NH3+] ZINC000872290024 589906490 /nfs/dbraw/zinc/90/64/90/589906490.db2.gz JDCFAWSIQBHCLD-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP COCC[NH2+]CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872290670 589906459 /nfs/dbraw/zinc/90/64/59/589906459.db2.gz XWEWAOWUEQASIK-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000872297292 589907569 /nfs/dbraw/zinc/90/75/69/589907569.db2.gz LXHISUQPWNCLDE-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298695 589907847 /nfs/dbraw/zinc/90/78/47/589907847.db2.gz QFYZTCZUKULHPE-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872298772 589908296 /nfs/dbraw/zinc/90/82/96/589908296.db2.gz UEIBZCCCZKYHFV-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872298774 589907970 /nfs/dbraw/zinc/90/79/70/589907970.db2.gz UEIBZCCCZKYHFV-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872300773 589908311 /nfs/dbraw/zinc/90/83/11/589908311.db2.gz MYPOJUCSZXDTCR-JTQLQIEISA-N 2 0 242.367 -0.524 20 0 BBADRP C[C@@]1(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]C1 ZINC000872306220 589908350 /nfs/dbraw/zinc/90/83/50/589908350.db2.gz ATXMOOYGTRHQPF-DMWPJOQESA-N 2 0 223.320 -0.018 20 0 BBADRP C[C@]1(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]C1 ZINC000872306221 589907757 /nfs/dbraw/zinc/90/77/57/589907757.db2.gz ATXMOOYGTRHQPF-QCZKYFFMSA-N 2 0 223.320 -0.018 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872306320 589908318 /nfs/dbraw/zinc/90/83/18/589908318.db2.gz FXTKGOVBAMHFHS-DKIAZLNASA-N 2 0 211.309 -0.162 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872306321 589908322 /nfs/dbraw/zinc/90/83/22/589908322.db2.gz FXTKGOVBAMHFHS-REIXXSIJSA-N 2 0 211.309 -0.162 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872307070 589908309 /nfs/dbraw/zinc/90/83/09/589908309.db2.gz INLGZZOADYPEGI-YWVKMMECSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872307844 589909080 /nfs/dbraw/zinc/90/90/80/589909080.db2.gz LQDNWOSYBARONA-DKIAZLNASA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872307845 589908947 /nfs/dbraw/zinc/90/89/47/589908947.db2.gz LQDNWOSYBARONA-REIXXSIJSA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872308321 589908611 /nfs/dbraw/zinc/90/86/11/589908611.db2.gz XIWFSNYOYXTXBZ-IMICNGSGSA-N 2 0 223.320 -0.020 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872308753 589909012 /nfs/dbraw/zinc/90/90/12/589909012.db2.gz LCFIWINNIRDRBO-SCVCMEIPSA-N 2 0 241.335 -0.405 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872308950 589909009 /nfs/dbraw/zinc/90/90/09/589909009.db2.gz NXFASEBFRKJKQZ-SCVCMEIPSA-N 2 0 241.335 -0.534 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872309779 589908601 /nfs/dbraw/zinc/90/86/01/589908601.db2.gz YYGYFKOVZYIZMM-SCVCMEIPSA-N 2 0 241.335 -0.453 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000872309946 589909084 /nfs/dbraw/zinc/90/90/84/589909084.db2.gz XTKXFUVNLSVHKC-YXZBHFDYSA-N 2 0 221.304 -0.314 20 0 BBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1nc(N)[nH+]c(N)n1 ZINC000872778296 589968764 /nfs/dbraw/zinc/96/87/64/589968764.db2.gz FTLHGWJPRHUMGJ-HTQZYQBOSA-N 2 0 249.322 -0.291 20 0 BBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc(N)[nH+]c(N)n1 ZINC000872778297 589968957 /nfs/dbraw/zinc/96/89/57/589968957.db2.gz FTLHGWJPRHUMGJ-JGVFFNPUSA-N 2 0 249.322 -0.291 20 0 BBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1nc(N)[nH+]c(N)n1 ZINC000872778298 589968705 /nfs/dbraw/zinc/96/87/05/589968705.db2.gz FTLHGWJPRHUMGJ-SFYZADRCSA-N 2 0 249.322 -0.291 20 0 BBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1nc(N)[nH+]c(N)n1 ZINC000872778299 589968869 /nfs/dbraw/zinc/96/88/69/589968869.db2.gz FTLHGWJPRHUMGJ-YUMQZZPRSA-N 2 0 249.322 -0.291 20 0 BBADRP Nc1cnc(C[NH2+]CCN2CC[NH2+]CC2)cn1 ZINC000873211407 589996550 /nfs/dbraw/zinc/99/65/50/589996550.db2.gz ZPMYKRZOXWFCPA-UHFFFAOYSA-N 2 0 236.323 -0.946 20 0 BBADRP CC(C)[C@@H](C[NH3+])CN(CC[NH3+])CCO ZINC000873211803 589996309 /nfs/dbraw/zinc/99/63/09/589996309.db2.gz DTDLTCXLTJETFU-JTQLQIEISA-N 2 0 203.330 -0.530 20 0 BBADRP CC(C)[C@H](C[NH3+])CN(CC[NH3+])CCO ZINC000873211822 589996108 /nfs/dbraw/zinc/99/61/08/589996108.db2.gz DTDLTCXLTJETFU-SNVBAGLBSA-N 2 0 203.330 -0.530 20 0 BBADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](O)[C@@H](O)C1 ZINC000873221202 590000107 /nfs/dbraw/zinc/00/01/07/590000107.db2.gz GTMMLSKZGPRCEF-AXFHLTTASA-N 2 0 216.325 -0.213 20 0 BBADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@H](O)[C@@H](O)C1 ZINC000873221203 589999881 /nfs/dbraw/zinc/99/98/81/589999881.db2.gz GTMMLSKZGPRCEF-MXWKQRLJSA-N 2 0 216.325 -0.213 20 0 BBADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]1 ZINC000873221271 589999940 /nfs/dbraw/zinc/99/99/40/589999940.db2.gz IIRIVZZLZHJOFP-KKOKHZNYSA-N 2 0 228.336 -0.198 20 0 BBADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]1 ZINC000873221272 589999895 /nfs/dbraw/zinc/99/98/95/589999895.db2.gz IIRIVZZLZHJOFP-KXNHARMFSA-N 2 0 228.336 -0.198 20 0 BBADRP C[C@H]1C[C@H](C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]1 ZINC000873221273 589999955 /nfs/dbraw/zinc/99/99/55/589999955.db2.gz IIRIVZZLZHJOFP-QCNOEVLYSA-N 2 0 228.336 -0.198 20 0 BBADRP C[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]1 ZINC000873221274 589999836 /nfs/dbraw/zinc/99/98/36/589999836.db2.gz IIRIVZZLZHJOFP-YFKTTZPYSA-N 2 0 228.336 -0.198 20 0 BBADRP C[C@@]1(CN2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]C1 ZINC000873221951 589999378 /nfs/dbraw/zinc/99/93/78/589999378.db2.gz UYDZIHOKLMPXAH-OUAUKWLOSA-N 2 0 214.309 -0.587 20 0 BBADRP C[C@]1(CN2CC[C@@H](O)[C@@H](O)C2)CC[NH2+]C1 ZINC000873221952 589999546 /nfs/dbraw/zinc/99/95/46/589999546.db2.gz UYDZIHOKLMPXAH-VWYCJHECSA-N 2 0 214.309 -0.587 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251175 590008361 /nfs/dbraw/zinc/00/83/61/590008361.db2.gz UPZIEKARXSPNBR-LMLFDSFASA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251176 590008316 /nfs/dbraw/zinc/00/83/16/590008316.db2.gz UPZIEKARXSPNBR-VLEAKVRGSA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251177 590008052 /nfs/dbraw/zinc/00/80/52/590008052.db2.gz UPZIEKARXSPNBR-YTWAJWBKSA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251178 590008241 /nfs/dbraw/zinc/00/82/41/590008241.db2.gz UPZIEKARXSPNBR-ZRUFSTJUSA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257399 590012383 /nfs/dbraw/zinc/01/23/83/590012383.db2.gz UPZIEKARXSPNBR-DBIOUOCHSA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257400 590012412 /nfs/dbraw/zinc/01/24/12/590012412.db2.gz UPZIEKARXSPNBR-GWOFURMSSA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257401 590012170 /nfs/dbraw/zinc/01/21/70/590012170.db2.gz UPZIEKARXSPNBR-NAKRPEOUSA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257402 590012215 /nfs/dbraw/zinc/01/22/15/590012215.db2.gz UPZIEKARXSPNBR-XWLWVQCSSA-N 2 0 241.335 -0.393 20 0 BBADRP COCC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874299502 590102772 /nfs/dbraw/zinc/10/27/72/590102772.db2.gz WSESVDATFPYYDS-UHFFFAOYSA-N 2 0 243.351 -0.223 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876501603 590203387 /nfs/dbraw/zinc/20/33/87/590203387.db2.gz QNIFYTKVQUGAEB-AEJSXWLSSA-N 2 0 229.299 -0.116 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876501613 590203094 /nfs/dbraw/zinc/20/30/94/590203094.db2.gz QNIFYTKVQUGAEB-BBBLOLIVSA-N 2 0 229.299 -0.116 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876501616 590203358 /nfs/dbraw/zinc/20/33/58/590203358.db2.gz QNIFYTKVQUGAEB-IVZWLZJFSA-N 2 0 229.299 -0.116 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876501617 590203302 /nfs/dbraw/zinc/20/33/02/590203302.db2.gz QNIFYTKVQUGAEB-OPRDCNLKSA-N 2 0 229.299 -0.116 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1(F)F ZINC000876502672 590203616 /nfs/dbraw/zinc/20/36/16/590203616.db2.gz JHRJGQJPBDVWIM-BWZBUEFSSA-N 2 0 233.262 -0.224 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH3+])C2)C1(F)F ZINC000876502673 590203638 /nfs/dbraw/zinc/20/36/38/590203638.db2.gz JHRJGQJPBDVWIM-XLPZGREQSA-N 2 0 233.262 -0.224 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876503859 590203921 /nfs/dbraw/zinc/20/39/21/590203921.db2.gz FWCRUXRVZOWCBY-HLTSFMKQSA-N 2 0 211.309 -0.081 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876503860 590204250 /nfs/dbraw/zinc/20/42/50/590204250.db2.gz FWCRUXRVZOWCBY-HRDYMLBCSA-N 2 0 211.309 -0.081 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876503861 590203918 /nfs/dbraw/zinc/20/39/18/590203918.db2.gz FWCRUXRVZOWCBY-IWSPIJDZSA-N 2 0 211.309 -0.081 20 0 BBADRP CC1(C)[C@H](C(=O)N2CC[C@@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000876503862 590204097 /nfs/dbraw/zinc/20/40/97/590204097.db2.gz FWCRUXRVZOWCBY-VGMNWLOBSA-N 2 0 211.309 -0.081 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])C2)C1(F)F ZINC000876504134 590204031 /nfs/dbraw/zinc/20/40/31/590204031.db2.gz KFEKOQGZSHREKX-FSDSQADBSA-N 2 0 219.235 -0.614 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876504229 590204267 /nfs/dbraw/zinc/20/42/67/590204267.db2.gz KKUNTJHVZRKEOL-VYEHJAMSSA-N 2 0 223.320 -0.042 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876504231 590204071 /nfs/dbraw/zinc/20/40/71/590204071.db2.gz KKUNTJHVZRKEOL-YGNOVDJJSA-N 2 0 223.320 -0.042 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000876504902 590204265 /nfs/dbraw/zinc/20/42/65/590204265.db2.gz BHULFJONVLNBNC-NSHDSACASA-N 2 0 236.319 -0.027 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH3+] ZINC000876505007 590204554 /nfs/dbraw/zinc/20/45/54/590204554.db2.gz GQGIECAFRKCIMD-AXBRGNRRSA-N 2 0 211.309 -0.137 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH3+] ZINC000876505008 590204634 /nfs/dbraw/zinc/20/46/34/590204634.db2.gz GQGIECAFRKCIMD-QWZJGYIASA-N 2 0 211.309 -0.137 20 0 BBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000876505133 590204538 /nfs/dbraw/zinc/20/45/38/590204538.db2.gz MTAGPPROEUMTQP-BYCRGOAPSA-N 2 0 223.320 -0.026 20 0 BBADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000876505134 590204655 /nfs/dbraw/zinc/20/46/55/590204655.db2.gz MTAGPPROEUMTQP-DLRQAJBASA-N 2 0 223.320 -0.026 20 0 BBADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000876505135 590204736 /nfs/dbraw/zinc/20/47/36/590204736.db2.gz MTAGPPROEUMTQP-PGLGOXFNSA-N 2 0 223.320 -0.026 20 0 BBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000876505136 590204515 /nfs/dbraw/zinc/20/45/15/590204515.db2.gz MTAGPPROEUMTQP-UFFNRZRYSA-N 2 0 223.320 -0.026 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000876505255 590204665 /nfs/dbraw/zinc/20/46/65/590204665.db2.gz QZTXVNRAJQVNBZ-JTQLQIEISA-N 2 0 242.367 -0.347 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000876505371 590204629 /nfs/dbraw/zinc/20/46/29/590204629.db2.gz TZQNSYKJIGINCI-BDAKNGLRSA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000876505396 590204660 /nfs/dbraw/zinc/20/46/60/590204660.db2.gz TZQNSYKJIGINCI-DTWKUNHWSA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C)[C@H](C(=O)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000876505397 590204523 /nfs/dbraw/zinc/20/45/23/590204523.db2.gz TZQNSYKJIGINCI-IUCAKERBSA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000876505398 590204580 /nfs/dbraw/zinc/20/45/80/590204580.db2.gz TZQNSYKJIGINCI-RKDXNWHRSA-N 2 0 211.309 -0.208 20 0 BBADRP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000876505453 590204496 /nfs/dbraw/zinc/20/44/96/590204496.db2.gz WBFPKKIMWADEPW-BDAKNGLRSA-N 2 0 215.272 -0.634 20 0 BBADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000876505454 590204362 /nfs/dbraw/zinc/20/43/62/590204362.db2.gz WBFPKKIMWADEPW-DTWKUNHWSA-N 2 0 215.272 -0.634 20 0 BBADRP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000876505455 590204689 /nfs/dbraw/zinc/20/46/89/590204689.db2.gz WBFPKKIMWADEPW-IUCAKERBSA-N 2 0 215.272 -0.634 20 0 BBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000876505456 590204647 /nfs/dbraw/zinc/20/46/47/590204647.db2.gz WBFPKKIMWADEPW-RKDXNWHRSA-N 2 0 215.272 -0.634 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876505478 590204486 /nfs/dbraw/zinc/20/44/86/590204486.db2.gz FNKABHKUPIBFND-CSMHCCOUSA-N 2 0 233.262 -0.353 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876505479 590204570 /nfs/dbraw/zinc/20/45/70/590204570.db2.gz FNKABHKUPIBFND-FXQIFTODSA-N 2 0 233.262 -0.353 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000876505632 584885579 /nfs/dbraw/zinc/88/55/79/584885579.db2.gz YQXURVHCANWXAV-LVUHIJSRSA-N 2 0 223.320 -0.170 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000876505633 584885609 /nfs/dbraw/zinc/88/56/09/584885609.db2.gz YQXURVHCANWXAV-WUNPDAOYSA-N 2 0 223.320 -0.170 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876507474 590204633 /nfs/dbraw/zinc/20/46/33/590204633.db2.gz GSZHSGLCORADEN-BQBZGAKWSA-N 2 0 221.251 -0.448 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876507559 590204721 /nfs/dbraw/zinc/20/47/21/590204721.db2.gz KCAZLNDCEOKNTA-BDAKNGLRSA-N 2 0 217.288 -0.340 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876507560 590204627 /nfs/dbraw/zinc/20/46/27/590204627.db2.gz KCAZLNDCEOKNTA-DTWKUNHWSA-N 2 0 217.288 -0.340 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876507561 590204349 /nfs/dbraw/zinc/20/43/49/590204349.db2.gz KCAZLNDCEOKNTA-IUCAKERBSA-N 2 0 217.288 -0.340 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876507562 590204559 /nfs/dbraw/zinc/20/45/59/590204559.db2.gz KCAZLNDCEOKNTA-RKDXNWHRSA-N 2 0 217.288 -0.340 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC2CC[NH2+]CC2)C1(F)F ZINC000876508235 590204869 /nfs/dbraw/zinc/20/48/69/590204869.db2.gz XJYXHRDQVCCJFU-RKDXNWHRSA-N 2 0 247.289 -0.058 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1(F)F ZINC000876508286 590205051 /nfs/dbraw/zinc/20/50/51/590205051.db2.gz XZESOLBWYBQRAE-BWZBUEFSSA-N 2 0 233.262 -0.305 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1(F)F ZINC000876508288 590204959 /nfs/dbraw/zinc/20/49/59/590204959.db2.gz XZESOLBWYBQRAE-XLPZGREQSA-N 2 0 233.262 -0.305 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876508637 590205105 /nfs/dbraw/zinc/20/51/05/590205105.db2.gz SQNMDPNLNKOROD-AEJSXWLSSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876508638 590204868 /nfs/dbraw/zinc/20/48/68/590204868.db2.gz SQNMDPNLNKOROD-BBBLOLIVSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876508639 590204967 /nfs/dbraw/zinc/20/49/67/590204967.db2.gz SQNMDPNLNKOROD-IVZWLZJFSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876508640 590202003 /nfs/dbraw/zinc/20/20/03/590202003.db2.gz SQNMDPNLNKOROD-OPRDCNLKSA-N 2 0 229.299 -0.198 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876510365 590205272 /nfs/dbraw/zinc/20/52/72/590205272.db2.gz UITPKKZGESBUCC-YUMQZZPRSA-N 2 0 235.278 -0.058 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876510456 590205535 /nfs/dbraw/zinc/20/55/35/590205535.db2.gz SYQNUYXHVREMAN-DCAQKATOSA-N 2 0 242.367 -0.396 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876510457 590205234 /nfs/dbraw/zinc/20/52/34/590205234.db2.gz SYQNUYXHVREMAN-GARJFASQSA-N 2 0 242.367 -0.396 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876510458 590205614 /nfs/dbraw/zinc/20/56/14/590205614.db2.gz SYQNUYXHVREMAN-OUAUKWLOSA-N 2 0 242.367 -0.396 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876510459 590205519 /nfs/dbraw/zinc/20/55/19/590205519.db2.gz SYQNUYXHVREMAN-VWYCJHECSA-N 2 0 242.367 -0.396 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C2)C1(F)F ZINC000876510608 590205196 /nfs/dbraw/zinc/20/51/96/590205196.db2.gz ORRQUQYQCOWIEB-FSDSQADBSA-N 2 0 219.235 -0.696 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C2)C1(F)F ZINC000876510609 590205485 /nfs/dbraw/zinc/20/54/85/590205485.db2.gz ORRQUQYQCOWIEB-RRKCRQDMSA-N 2 0 219.235 -0.696 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000876510905 590205425 /nfs/dbraw/zinc/20/54/25/590205425.db2.gz RKBLLUUHOIAENQ-DJLDLDEBSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000876510906 590205566 /nfs/dbraw/zinc/20/55/66/590205566.db2.gz RKBLLUUHOIAENQ-HRDYMLBCSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000876510907 590205743 /nfs/dbraw/zinc/20/57/43/590205743.db2.gz RKBLLUUHOIAENQ-IWSPIJDZSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000876510908 590205249 /nfs/dbraw/zinc/20/52/49/590205249.db2.gz RKBLLUUHOIAENQ-XHNCKOQMSA-N 2 0 211.309 -0.162 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000876511643 590205205 /nfs/dbraw/zinc/20/52/05/590205205.db2.gz QLJAIMMDTWAWEW-KGZFKXPASA-N 2 0 223.320 -0.124 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000876511644 590206090 /nfs/dbraw/zinc/20/60/90/590206090.db2.gz QLJAIMMDTWAWEW-KZIHWKMUSA-N 2 0 223.320 -0.124 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000876511645 590206054 /nfs/dbraw/zinc/20/60/54/590206054.db2.gz QLJAIMMDTWAWEW-VYEHJAMSSA-N 2 0 223.320 -0.124 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000876511646 590206203 /nfs/dbraw/zinc/20/62/03/590206203.db2.gz QLJAIMMDTWAWEW-YGNOVDJJSA-N 2 0 223.320 -0.124 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876511760 590206063 /nfs/dbraw/zinc/20/60/63/590206063.db2.gz VCTIPKZOQUOWEK-FOGDFJRCSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876511762 590205820 /nfs/dbraw/zinc/20/58/20/590205820.db2.gz VCTIPKZOQUOWEK-UMNHJUIQSA-N 2 0 223.320 -0.003 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000876513291 590206165 /nfs/dbraw/zinc/20/61/65/590206165.db2.gz BQBILNQEMHXLCB-LLVKDONJSA-N 2 0 240.351 -0.911 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000876513300 590205849 /nfs/dbraw/zinc/20/58/49/590205849.db2.gz BQBILNQEMHXLCB-NSHDSACASA-N 2 0 240.351 -0.911 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1(F)F ZINC000876513356 590205935 /nfs/dbraw/zinc/20/59/35/590205935.db2.gz LEVMUUIQSZGFBU-DJLDLDEBSA-N 2 0 247.289 -0.058 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1(F)F ZINC000876513357 590205945 /nfs/dbraw/zinc/20/59/45/590205945.db2.gz LEVMUUIQSZGFBU-IWSPIJDZSA-N 2 0 247.289 -0.058 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876513962 590206186 /nfs/dbraw/zinc/20/61/86/590206186.db2.gz KZSCWWQUHMTEFA-UWVGGRQHSA-N 2 0 228.340 -0.866 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876513963 590205787 /nfs/dbraw/zinc/20/57/87/590205787.db2.gz KZSCWWQUHMTEFA-ZJUUUORDSA-N 2 0 228.340 -0.866 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876514681 590205826 /nfs/dbraw/zinc/20/58/26/590205826.db2.gz YCCSOWLUMOOBOP-CMPLNLGQSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876514694 590206071 /nfs/dbraw/zinc/20/60/71/590206071.db2.gz YCCSOWLUMOOBOP-JQWIXIFHSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@]1(C(=O)N2CCC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876514695 590205963 /nfs/dbraw/zinc/20/59/63/590205963.db2.gz YCCSOWLUMOOBOP-PWSUYJOCSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876514696 590205864 /nfs/dbraw/zinc/20/58/64/590205864.db2.gz YCCSOWLUMOOBOP-ZYHUDNBSSA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876514824 590206368 /nfs/dbraw/zinc/20/63/68/590206368.db2.gz IIUSSTXTILOPSA-CSMHCCOUSA-N 2 0 233.262 -0.353 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876514826 590205983 /nfs/dbraw/zinc/20/59/83/590205983.db2.gz IIUSSTXTILOPSA-FXQIFTODSA-N 2 0 233.262 -0.353 20 0 BBADRP C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000876515417 590206410 /nfs/dbraw/zinc/20/64/10/590206410.db2.gz AUGMVKURBPSXDZ-AXFHLTTASA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000876515418 590206631 /nfs/dbraw/zinc/20/66/31/590206631.db2.gz AUGMVKURBPSXDZ-DCAQKATOSA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000876515419 584885547 /nfs/dbraw/zinc/88/55/47/584885547.db2.gz AUGMVKURBPSXDZ-MXWKQRLJSA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000876515420 584885683 /nfs/dbraw/zinc/88/56/83/584885683.db2.gz AUGMVKURBPSXDZ-VWYCJHECSA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876515681 590206354 /nfs/dbraw/zinc/20/63/54/590206354.db2.gz VYFRKJZZLLDJSL-BBBLOLIVSA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876515682 590206560 /nfs/dbraw/zinc/20/65/60/590206560.db2.gz VYFRKJZZLLDJSL-KXUCPTDWSA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876515683 590206593 /nfs/dbraw/zinc/20/65/93/590206593.db2.gz VYFRKJZZLLDJSL-OPRDCNLKSA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876515685 590206440 /nfs/dbraw/zinc/20/64/40/590206440.db2.gz VYFRKJZZLLDJSL-UTLUCORTSA-N 2 0 229.299 -0.246 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000876515781 590206645 /nfs/dbraw/zinc/20/66/45/590206645.db2.gz XLJGWGNEFPSECC-UWVGGRQHSA-N 2 0 228.340 -0.785 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000876515782 590206535 /nfs/dbraw/zinc/20/65/35/590206535.db2.gz XLJGWGNEFPSECC-ZJUUUORDSA-N 2 0 228.340 -0.785 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000876516870 590206653 /nfs/dbraw/zinc/20/66/53/590206653.db2.gz FWCRUXRVZOWCBY-DJLDLDEBSA-N 2 0 211.309 -0.081 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000876516871 590206750 /nfs/dbraw/zinc/20/67/50/590206750.db2.gz FWCRUXRVZOWCBY-XHNCKOQMSA-N 2 0 211.309 -0.081 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])C2)C1(F)F ZINC000876517169 590206731 /nfs/dbraw/zinc/20/67/31/590206731.db2.gz KFEKOQGZSHREKX-RRKCRQDMSA-N 2 0 219.235 -0.614 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000876517216 590206444 /nfs/dbraw/zinc/20/64/44/590206444.db2.gz KKUNTJHVZRKEOL-KGZFKXPASA-N 2 0 223.320 -0.042 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000876517217 590206898 /nfs/dbraw/zinc/20/68/98/590206898.db2.gz KKUNTJHVZRKEOL-KZIHWKMUSA-N 2 0 223.320 -0.042 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876518598 590207008 /nfs/dbraw/zinc/20/70/08/590207008.db2.gz HJMQKEDYYCFRCQ-CIUDSAMLSA-N 2 0 217.288 -0.213 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876518602 590207153 /nfs/dbraw/zinc/20/71/53/590207153.db2.gz HJMQKEDYYCFRCQ-DJLDLDEBSA-N 2 0 217.288 -0.213 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876518604 590206773 /nfs/dbraw/zinc/20/67/73/590206773.db2.gz HJMQKEDYYCFRCQ-XHNCKOQMSA-N 2 0 217.288 -0.213 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876518605 590207050 /nfs/dbraw/zinc/20/70/50/590207050.db2.gz HJMQKEDYYCFRCQ-YIZRAAEISA-N 2 0 217.288 -0.213 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876519999 590207129 /nfs/dbraw/zinc/20/71/29/590207129.db2.gz QQCPYOMZCNIGOJ-UWVGGRQHSA-N 2 0 228.340 -0.914 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876520000 590206968 /nfs/dbraw/zinc/20/69/68/590206968.db2.gz QQCPYOMZCNIGOJ-ZJUUUORDSA-N 2 0 228.340 -0.914 20 0 BBADRP C[NH2+]CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876520083 590206931 /nfs/dbraw/zinc/20/69/31/590206931.db2.gz FKRVSWBTZQTTTL-LWTINBJPSA-N 2 0 211.309 -0.122 20 0 BBADRP C[NH2+]CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876520084 590207127 /nfs/dbraw/zinc/20/71/27/590207127.db2.gz FKRVSWBTZQTTTL-ORAHPGNNSA-N 2 0 211.309 -0.122 20 0 BBADRP C[NH2+]CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876520085 590207517 /nfs/dbraw/zinc/20/75/17/590207517.db2.gz FKRVSWBTZQTTTL-UMCURTJPSA-N 2 0 211.309 -0.122 20 0 BBADRP C[NH2+]CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876520086 590207395 /nfs/dbraw/zinc/20/73/95/590207395.db2.gz FKRVSWBTZQTTTL-YEZKRMTDSA-N 2 0 211.309 -0.122 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876521006 590207239 /nfs/dbraw/zinc/20/72/39/590207239.db2.gz PXTYOHGKJYKKJO-ACZMJKKPSA-N 2 0 221.251 -0.320 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH2+]C ZINC000876521366 590207497 /nfs/dbraw/zinc/20/74/97/590207497.db2.gz MSEHHKFVQKWFLC-HIHHVFROSA-N 2 0 211.309 -0.266 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH2+]C ZINC000876521367 590207546 /nfs/dbraw/zinc/20/75/46/590207546.db2.gz MSEHHKFVQKWFLC-HWKXXFMVSA-N 2 0 211.309 -0.266 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876521511 590207305 /nfs/dbraw/zinc/20/73/05/590207305.db2.gz PUBDOPBYYWRQCN-BDAKNGLRSA-N 2 0 217.288 -0.340 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876521512 590207514 /nfs/dbraw/zinc/20/75/14/590207514.db2.gz PUBDOPBYYWRQCN-DTWKUNHWSA-N 2 0 217.288 -0.340 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876521514 590207449 /nfs/dbraw/zinc/20/74/49/590207449.db2.gz PUBDOPBYYWRQCN-IUCAKERBSA-N 2 0 217.288 -0.340 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876521516 590207426 /nfs/dbraw/zinc/20/74/26/590207426.db2.gz PUBDOPBYYWRQCN-RKDXNWHRSA-N 2 0 217.288 -0.340 20 0 BBADRP C[NH2+]CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876521635 590207312 /nfs/dbraw/zinc/20/73/12/590207312.db2.gz RZMRRYAJTWNXCQ-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876521674 590207559 /nfs/dbraw/zinc/20/75/59/590207559.db2.gz TZCOPWMHNJMHLO-WDSKDSINSA-N 2 0 207.224 -0.838 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876521836 590207572 /nfs/dbraw/zinc/20/75/72/590207572.db2.gz YIIZMOFCTKEPGU-BQBZGAKWSA-N 2 0 221.251 -0.448 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876521959 590207432 /nfs/dbraw/zinc/20/74/32/590207432.db2.gz CNKBMJMGMMKBMY-GUBZILKMSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876521960 590207411 /nfs/dbraw/zinc/20/74/11/590207411.db2.gz CNKBMJMGMMKBMY-KXUCPTDWSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876521961 590207255 /nfs/dbraw/zinc/20/72/55/590207255.db2.gz CNKBMJMGMMKBMY-LPEHRKFASA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876521962 590207424 /nfs/dbraw/zinc/20/74/24/590207424.db2.gz CNKBMJMGMMKBMY-UTLUCORTSA-N 2 0 229.299 -0.198 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC[NH2+]C2CC2)C1(F)F ZINC000876522112 590207336 /nfs/dbraw/zinc/20/73/36/590207336.db2.gz IFKQYSFLKSKFGB-HTQZYQBOSA-N 2 0 233.262 -0.305 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1(F)F ZINC000876522162 590207775 /nfs/dbraw/zinc/20/77/75/590207775.db2.gz JMBGGAWONAVRDO-BWZBUEFSSA-N 2 0 233.262 -0.305 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1(F)F ZINC000876522163 590208070 /nfs/dbraw/zinc/20/80/70/590208070.db2.gz JMBGGAWONAVRDO-XLPZGREQSA-N 2 0 233.262 -0.305 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876522311 590207692 /nfs/dbraw/zinc/20/76/92/590207692.db2.gz NMFBCKOMBHHLOE-PSASIEDQSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876522312 590207845 /nfs/dbraw/zinc/20/78/45/590207845.db2.gz NMFBCKOMBHHLOE-SCZZXKLOSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876522313 590207945 /nfs/dbraw/zinc/20/79/45/590207945.db2.gz NMFBCKOMBHHLOE-WCBMZHEXSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876522314 590207954 /nfs/dbraw/zinc/20/79/54/590207954.db2.gz NMFBCKOMBHHLOE-WPRPVWTQSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876522837 590207687 /nfs/dbraw/zinc/20/76/87/590207687.db2.gz DMYZHAHOEQXOPP-KOLCDFICSA-N 2 0 242.367 -0.539 20 0 BBADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876522838 590207837 /nfs/dbraw/zinc/20/78/37/590207837.db2.gz DMYZHAHOEQXOPP-ONGXEEELSA-N 2 0 242.367 -0.539 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876524073 590207764 /nfs/dbraw/zinc/20/77/64/590207764.db2.gz IYTPVTJJXKTDJM-JTQLQIEISA-N 2 0 230.356 -0.620 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876524195 584885588 /nfs/dbraw/zinc/88/55/88/584885588.db2.gz LTXPHCDNQBLIRL-HTQZYQBOSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876524196 584885662 /nfs/dbraw/zinc/88/56/62/584885662.db2.gz LTXPHCDNQBLIRL-JGVFFNPUSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876524197 584885621 /nfs/dbraw/zinc/88/56/21/584885621.db2.gz LTXPHCDNQBLIRL-SFYZADRCSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876524198 584885653 /nfs/dbraw/zinc/88/56/53/584885653.db2.gz LTXPHCDNQBLIRL-YUMQZZPRSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876524755 590208530 /nfs/dbraw/zinc/20/85/30/590208530.db2.gz YEBOXIAQHHKCFW-WDSKDSINSA-N 2 0 221.251 -0.320 20 0 BBADRP CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000876525851 590208777 /nfs/dbraw/zinc/20/87/77/590208777.db2.gz OZAILDVLGVNYAL-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000876525852 590208518 /nfs/dbraw/zinc/20/85/18/590208518.db2.gz OZAILDVLGVNYAL-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1(F)F ZINC000876526460 584885852 /nfs/dbraw/zinc/88/58/52/584885852.db2.gz URQZUSMUDZXSMJ-DJLDLDEBSA-N 2 0 247.289 -0.058 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1(F)F ZINC000876526461 584885958 /nfs/dbraw/zinc/88/59/58/584885958.db2.gz URQZUSMUDZXSMJ-IWSPIJDZSA-N 2 0 247.289 -0.058 20 0 BBADRP CN(C(=O)[C@H](F)[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000876527600 590208912 /nfs/dbraw/zinc/20/89/12/590208912.db2.gz BTRTZADJQYLNOX-IVZWLZJFSA-N 2 0 229.299 -0.246 20 0 BBADRP CN(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000876527601 590209161 /nfs/dbraw/zinc/20/91/61/590209161.db2.gz BTRTZADJQYLNOX-KXUCPTDWSA-N 2 0 229.299 -0.246 20 0 BBADRP CN(C(=O)[C@H](F)[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000876527602 590209380 /nfs/dbraw/zinc/20/93/80/590209380.db2.gz BTRTZADJQYLNOX-LPEHRKFASA-N 2 0 229.299 -0.246 20 0 BBADRP CN(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000876527603 590209117 /nfs/dbraw/zinc/20/91/17/590209117.db2.gz BTRTZADJQYLNOX-OPRDCNLKSA-N 2 0 229.299 -0.246 20 0 BBADRP CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@@H]1CC[NH2+]C1 ZINC000876527829 590209259 /nfs/dbraw/zinc/20/92/59/590209259.db2.gz FXOCHVATQZAPSS-CSMHCCOUSA-N 2 0 233.262 -0.353 20 0 BBADRP CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@H]1CC[NH2+]C1 ZINC000876527830 590209389 /nfs/dbraw/zinc/20/93/89/590209389.db2.gz FXOCHVATQZAPSS-FXQIFTODSA-N 2 0 233.262 -0.353 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876528912 590209754 /nfs/dbraw/zinc/20/97/54/590209754.db2.gz BLKJBOJHJGACNR-BBBLOLIVSA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876528914 590209861 /nfs/dbraw/zinc/20/98/61/590209861.db2.gz BLKJBOJHJGACNR-KXUCPTDWSA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876528916 590209912 /nfs/dbraw/zinc/20/99/12/590209912.db2.gz BLKJBOJHJGACNR-OPRDCNLKSA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876528917 584885982 /nfs/dbraw/zinc/88/59/82/584885982.db2.gz BLKJBOJHJGACNR-UTLUCORTSA-N 2 0 229.299 -0.246 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876529030 590209999 /nfs/dbraw/zinc/20/99/99/590209999.db2.gz CVKYYVSIXUTAAT-VIFPVBQESA-N 2 0 230.356 -0.491 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000876529507 590209840 /nfs/dbraw/zinc/20/98/40/590209840.db2.gz FLEPLUHLLGHIEJ-VIFPVBQESA-N 2 0 228.340 -0.737 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]1 ZINC000876529702 590209982 /nfs/dbraw/zinc/20/99/82/590209982.db2.gz KTUQPWVZGVYVOV-CSMHCCOUSA-N 2 0 233.262 -0.353 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]1 ZINC000876529703 590209662 /nfs/dbraw/zinc/20/96/62/590209662.db2.gz KTUQPWVZGVYVOV-FXQIFTODSA-N 2 0 233.262 -0.353 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000876530677 590209721 /nfs/dbraw/zinc/20/97/21/590209721.db2.gz PLVSIYMDYOSTQD-AEJSXWLSSA-N 2 0 228.340 -0.916 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000876530678 590209667 /nfs/dbraw/zinc/20/96/67/590209667.db2.gz PLVSIYMDYOSTQD-BBBLOLIVSA-N 2 0 228.340 -0.916 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000876530679 590209541 /nfs/dbraw/zinc/20/95/41/590209541.db2.gz PLVSIYMDYOSTQD-GUBZILKMSA-N 2 0 228.340 -0.916 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000876530797 590210289 /nfs/dbraw/zinc/21/02/89/590210289.db2.gz VEZNKYDKOAYZPM-GXSJLCMTSA-N 2 0 228.340 -0.881 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000876530798 590210526 /nfs/dbraw/zinc/21/05/26/590210526.db2.gz VEZNKYDKOAYZPM-ONGXEEELSA-N 2 0 228.340 -0.881 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876531740 584885984 /nfs/dbraw/zinc/88/59/84/584885984.db2.gz NRNQMWYLDOYCLO-HLTSFMKQSA-N 2 0 217.288 -0.260 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876531741 584885867 /nfs/dbraw/zinc/88/58/67/584885867.db2.gz NRNQMWYLDOYCLO-HRDYMLBCSA-N 2 0 217.288 -0.260 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876531742 584885925 /nfs/dbraw/zinc/88/59/25/584885925.db2.gz NRNQMWYLDOYCLO-IWSPIJDZSA-N 2 0 217.288 -0.260 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876531743 584885973 /nfs/dbraw/zinc/88/59/73/584885973.db2.gz NRNQMWYLDOYCLO-VGMNWLOBSA-N 2 0 217.288 -0.260 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876531806 590210447 /nfs/dbraw/zinc/21/04/47/590210447.db2.gz POYUDSIRRKKDNO-ACZMJKKPSA-N 2 0 221.251 -0.368 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876531807 590210532 /nfs/dbraw/zinc/21/05/32/590210532.db2.gz POYUDSIRRKKDNO-VQVTYTSYSA-N 2 0 221.251 -0.368 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876532810 590210318 /nfs/dbraw/zinc/21/03/18/590210318.db2.gz BOZFJQSDAFJHPF-AXFHLTTASA-N 2 0 242.367 -0.539 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876532811 590210343 /nfs/dbraw/zinc/21/03/43/590210343.db2.gz BOZFJQSDAFJHPF-DCAQKATOSA-N 2 0 242.367 -0.539 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876532812 590210436 /nfs/dbraw/zinc/21/04/36/590210436.db2.gz BOZFJQSDAFJHPF-MXWKQRLJSA-N 2 0 242.367 -0.539 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876532813 590210408 /nfs/dbraw/zinc/21/04/08/590210408.db2.gz BOZFJQSDAFJHPF-VWYCJHECSA-N 2 0 242.367 -0.539 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876533409 590210733 /nfs/dbraw/zinc/21/07/33/590210733.db2.gz RZBKLLVEPSXJRG-UWVGGRQHSA-N 2 0 230.356 -0.635 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876533410 590210787 /nfs/dbraw/zinc/21/07/87/590210787.db2.gz RZBKLLVEPSXJRG-ZJUUUORDSA-N 2 0 230.356 -0.635 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876534344 590210912 /nfs/dbraw/zinc/21/09/12/590210912.db2.gz BOBIZRNWSVPOKF-BDAKNGLRSA-N 2 0 217.288 -0.259 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876534346 590210754 /nfs/dbraw/zinc/21/07/54/590210754.db2.gz BOBIZRNWSVPOKF-DTWKUNHWSA-N 2 0 217.288 -0.259 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876534349 590210725 /nfs/dbraw/zinc/21/07/25/590210725.db2.gz BOBIZRNWSVPOKF-IUCAKERBSA-N 2 0 217.288 -0.259 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876534352 590207009 /nfs/dbraw/zinc/20/70/09/590207009.db2.gz BOBIZRNWSVPOKF-RKDXNWHRSA-N 2 0 217.288 -0.259 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876534651 590210896 /nfs/dbraw/zinc/21/08/96/590210896.db2.gz FIJDMTAGELRXBM-GXSJLCMTSA-N 2 0 230.356 -0.635 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876534654 590210743 /nfs/dbraw/zinc/21/07/43/590210743.db2.gz FIJDMTAGELRXBM-ONGXEEELSA-N 2 0 230.356 -0.635 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1C[NH3+] ZINC000876535018 590211181 /nfs/dbraw/zinc/21/11/81/590211181.db2.gz VEYCXPBGJABCRR-DCAQKATOSA-N 2 0 242.367 -0.539 20 0 BBADRP C[C@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1C[NH3+] ZINC000876535098 590211263 /nfs/dbraw/zinc/21/12/63/590211263.db2.gz VEYCXPBGJABCRR-GARJFASQSA-N 2 0 242.367 -0.539 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1C[NH3+] ZINC000876535100 590211208 /nfs/dbraw/zinc/21/12/08/590211208.db2.gz VEYCXPBGJABCRR-OUAUKWLOSA-N 2 0 242.367 -0.539 20 0 BBADRP C[C@@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1C[NH3+] ZINC000876535102 590211366 /nfs/dbraw/zinc/21/13/66/590211366.db2.gz VEYCXPBGJABCRR-VWYCJHECSA-N 2 0 242.367 -0.539 20 0 BBADRP CN(CCC[NH3+])C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876536794 590211243 /nfs/dbraw/zinc/21/12/43/590211243.db2.gz GYINEKROBKZPEQ-BQBZGAKWSA-N 2 0 221.251 -0.366 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876536953 590211413 /nfs/dbraw/zinc/21/14/13/590211413.db2.gz IINDXSVXLRRNMY-GUBZILKMSA-N 2 0 229.299 -0.213 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876536955 590211388 /nfs/dbraw/zinc/21/13/88/590211388.db2.gz IINDXSVXLRRNMY-KXUCPTDWSA-N 2 0 229.299 -0.213 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876536957 590211212 /nfs/dbraw/zinc/21/12/12/590211212.db2.gz IINDXSVXLRRNMY-LPEHRKFASA-N 2 0 229.299 -0.213 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876536958 590211226 /nfs/dbraw/zinc/21/12/26/590211226.db2.gz IINDXSVXLRRNMY-UTLUCORTSA-N 2 0 229.299 -0.213 20 0 BBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876537069 590211763 /nfs/dbraw/zinc/21/17/63/590211763.db2.gz WESALWKSSOLDFK-CMPLNLGQSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876537070 590211877 /nfs/dbraw/zinc/21/18/77/590211877.db2.gz WESALWKSSOLDFK-JQWIXIFHSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876537087 590211777 /nfs/dbraw/zinc/21/17/77/590211777.db2.gz WKQPOWQULSOEIB-FXQIFTODSA-N 2 0 235.278 -0.074 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876537088 590211668 /nfs/dbraw/zinc/21/16/68/590211668.db2.gz WKQPOWQULSOEIB-RNJXMRFFSA-N 2 0 235.278 -0.074 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC1 ZINC000876537230 590211458 /nfs/dbraw/zinc/21/14/58/590211458.db2.gz NFTTVNXHFQGRPW-FXQIFTODSA-N 2 0 233.262 -0.320 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC1 ZINC000876537231 590211593 /nfs/dbraw/zinc/21/15/93/590211593.db2.gz NFTTVNXHFQGRPW-RNJXMRFFSA-N 2 0 233.262 -0.320 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]CC1(C)C ZINC000876538430 590211713 /nfs/dbraw/zinc/21/17/13/590211713.db2.gz QDOMJZIAFYXKMP-VIFPVBQESA-N 2 0 228.340 -0.914 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876538510 590211627 /nfs/dbraw/zinc/21/16/27/590211627.db2.gz KIIZJYGUTQATRF-HTQZYQBOSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876538511 590211649 /nfs/dbraw/zinc/21/16/49/590211649.db2.gz KIIZJYGUTQATRF-JGVFFNPUSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876538513 590211539 /nfs/dbraw/zinc/21/15/39/590211539.db2.gz KIIZJYGUTQATRF-SFYZADRCSA-N 2 0 217.288 -0.213 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876538538 590211834 /nfs/dbraw/zinc/21/18/34/590211834.db2.gz KIIZJYGUTQATRF-YUMQZZPRSA-N 2 0 217.288 -0.213 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH3+])C1(F)F ZINC000876539109 590212130 /nfs/dbraw/zinc/21/21/30/590212130.db2.gz VGUBVONTLOWIOP-BWZBUEFSSA-N 2 0 233.262 -0.224 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876539122 590212033 /nfs/dbraw/zinc/21/20/33/590212033.db2.gz VONIWUOBYXCXDK-VWYCJHECSA-N 2 0 240.351 -0.772 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876539195 590212259 /nfs/dbraw/zinc/21/22/59/590212259.db2.gz YCNIHDOGAOOKNX-WDSKDSINSA-N 2 0 221.251 -0.320 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876539391 590212344 /nfs/dbraw/zinc/21/23/44/590212344.db2.gz FSQUQCZBRLVLLE-VIFPVBQESA-N 2 0 230.356 -0.491 20 0 BBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)C1CCC([NH3+])CC1 ZINC000876539927 590212177 /nfs/dbraw/zinc/21/21/77/590212177.db2.gz BUUMRFAYANBRNV-ILDUYXDCSA-N 2 0 242.367 -0.396 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876540086 590212025 /nfs/dbraw/zinc/21/20/25/590212025.db2.gz FHCPBFITHAHNCQ-UWVGGRQHSA-N 2 0 228.340 -0.914 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876540087 590212205 /nfs/dbraw/zinc/21/22/05/590212205.db2.gz FHCPBFITHAHNCQ-ZJUUUORDSA-N 2 0 228.340 -0.914 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H](N)C[NH+](C)C ZINC000876541451 590212299 /nfs/dbraw/zinc/21/22/99/590212299.db2.gz CDUITMKEDMVKJA-VIFPVBQESA-N 2 0 230.356 -0.681 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876542157 590212727 /nfs/dbraw/zinc/21/27/27/590212727.db2.gz QNSWHHZDADSEDH-MNOVXSKESA-N 2 0 244.383 -0.293 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876542158 590212541 /nfs/dbraw/zinc/21/25/41/590212541.db2.gz QNSWHHZDADSEDH-QWRGUYRKSA-N 2 0 244.383 -0.293 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876543875 590212608 /nfs/dbraw/zinc/21/26/08/590212608.db2.gz OEYFVTSMWDPSMB-UWVGGRQHSA-N 2 0 230.356 -0.491 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876543876 590212642 /nfs/dbraw/zinc/21/26/42/590212642.db2.gz OEYFVTSMWDPSMB-ZJUUUORDSA-N 2 0 230.356 -0.491 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000876730444 590233959 /nfs/dbraw/zinc/23/39/59/590233959.db2.gz GMVFLCVMXSUZQB-QWRGUYRKSA-N 2 0 242.367 -0.668 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000876730445 590234372 /nfs/dbraw/zinc/23/43/72/590234372.db2.gz GMVFLCVMXSUZQB-WDEREUQCSA-N 2 0 242.367 -0.668 20 0 BBADRP CCCC[N@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876747147 590237111 /nfs/dbraw/zinc/23/71/11/590237111.db2.gz XDAAZHKFJPJNMJ-NSHDSACASA-N 2 0 244.383 -0.277 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C(C)C ZINC000876749652 590237508 /nfs/dbraw/zinc/23/75/08/590237508.db2.gz PJTGLMPMVSWSKD-WDEREUQCSA-N 2 0 243.351 -0.051 20 0 BBADRP CC[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C(C)C ZINC000876750843 590237937 /nfs/dbraw/zinc/23/79/37/590237937.db2.gz YLMNZOMBQCJMED-NSHDSACASA-N 2 0 244.383 -0.278 20 0 BBADRP C[C@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1C ZINC000876765147 590239716 /nfs/dbraw/zinc/23/97/16/590239716.db2.gz TZEVTVXZGFEHGX-AXFHLTTASA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1C ZINC000876765148 590239428 /nfs/dbraw/zinc/23/94/28/590239428.db2.gz TZEVTVXZGFEHGX-DCAQKATOSA-N 2 0 242.367 -0.526 20 0 BBADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876773730 590239380 /nfs/dbraw/zinc/23/93/80/590239380.db2.gz WKUPPQRSJRTPJN-MNOVXSKESA-N 2 0 242.367 -0.667 20 0 BBADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876773731 590239597 /nfs/dbraw/zinc/23/95/97/590239597.db2.gz WKUPPQRSJRTPJN-QWRGUYRKSA-N 2 0 242.367 -0.667 20 0 BBADRP CC1(C)[C@H](C(=O)N2CC[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000876784501 590240610 /nfs/dbraw/zinc/24/06/10/590240610.db2.gz FWCRUXRVZOWCBY-CIUDSAMLSA-N 2 0 211.309 -0.081 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000876784502 590240529 /nfs/dbraw/zinc/24/05/29/590240529.db2.gz FWCRUXRVZOWCBY-YIZRAAEISA-N 2 0 211.309 -0.081 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876785610 590240479 /nfs/dbraw/zinc/24/04/79/590240479.db2.gz BVSYFDCTMMVCOG-ACZMJKKPSA-N 2 0 221.251 -0.463 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876785611 590240165 /nfs/dbraw/zinc/24/01/65/590240165.db2.gz BVSYFDCTMMVCOG-VQVTYTSYSA-N 2 0 221.251 -0.463 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876786325 590240837 /nfs/dbraw/zinc/24/08/37/590240837.db2.gz GNOCBIOKXRSYLE-HLTSFMKQSA-N 2 0 217.288 -0.355 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876786331 590240882 /nfs/dbraw/zinc/24/08/82/590240882.db2.gz GNOCBIOKXRSYLE-HRDYMLBCSA-N 2 0 217.288 -0.355 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876786333 590240858 /nfs/dbraw/zinc/24/08/58/590240858.db2.gz GNOCBIOKXRSYLE-IWSPIJDZSA-N 2 0 217.288 -0.355 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876786335 590240796 /nfs/dbraw/zinc/24/07/96/590240796.db2.gz GNOCBIOKXRSYLE-VGMNWLOBSA-N 2 0 217.288 -0.355 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)/C=C/CN1CCOCC1 ZINC000876786358 590240996 /nfs/dbraw/zinc/24/09/96/590240996.db2.gz GTXPJVJBRKFBFQ-KXMPLOMGSA-N 2 0 241.335 -0.414 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)/C=C\CN1CCOCC1 ZINC000876786359 590240968 /nfs/dbraw/zinc/24/09/68/590240968.db2.gz GTXPJVJBRKFBFQ-OTDNITJGSA-N 2 0 241.335 -0.414 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)/C=C\CN1CCOCC1 ZINC000876786361 590240749 /nfs/dbraw/zinc/24/07/49/590240749.db2.gz GTXPJVJBRKFBFQ-QUCGXOGASA-N 2 0 241.335 -0.414 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)/C=C/CN1CCOCC1 ZINC000876786362 590241040 /nfs/dbraw/zinc/24/10/40/590241040.db2.gz GTXPJVJBRKFBFQ-VUDBWIFFSA-N 2 0 241.335 -0.414 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876789138 590241606 /nfs/dbraw/zinc/24/16/06/590241606.db2.gz SQNMDPNLNKOROD-GUBZILKMSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876789139 590241264 /nfs/dbraw/zinc/24/12/64/590241264.db2.gz SQNMDPNLNKOROD-KXUCPTDWSA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876789140 590241199 /nfs/dbraw/zinc/24/11/99/590241199.db2.gz SQNMDPNLNKOROD-LPEHRKFASA-N 2 0 229.299 -0.198 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876789141 590241204 /nfs/dbraw/zinc/24/12/04/590241204.db2.gz SQNMDPNLNKOROD-UTLUCORTSA-N 2 0 229.299 -0.198 20 0 BBADRP CN1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876789666 590241538 /nfs/dbraw/zinc/24/15/38/590241538.db2.gz FVEHNWOKJSFAME-NXEZZACHSA-N 2 0 229.299 -0.292 20 0 BBADRP CN1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876789667 590241604 /nfs/dbraw/zinc/24/16/04/590241604.db2.gz FVEHNWOKJSFAME-UWVGGRQHSA-N 2 0 229.299 -0.292 20 0 BBADRP CN1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876789668 590241334 /nfs/dbraw/zinc/24/13/34/590241334.db2.gz FVEHNWOKJSFAME-VHSXEESVSA-N 2 0 229.299 -0.292 20 0 BBADRP CN1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876789669 590241658 /nfs/dbraw/zinc/24/16/58/590241658.db2.gz FVEHNWOKJSFAME-ZJUUUORDSA-N 2 0 229.299 -0.292 20 0 BBADRP C[NH2+]CCN(C)C(=O)Cn1ccnc1C ZINC000876790997 590241296 /nfs/dbraw/zinc/24/12/96/590241296.db2.gz BOWSUAZFKFWZOV-UHFFFAOYSA-N 2 0 210.281 -0.131 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000876791088 590241321 /nfs/dbraw/zinc/24/13/21/590241321.db2.gz IJMZQIKSSRIQRK-LVUHIJSRSA-N 2 0 223.320 -0.266 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000876791089 590241242 /nfs/dbraw/zinc/24/12/42/590241242.db2.gz IJMZQIKSSRIQRK-WUNPDAOYSA-N 2 0 223.320 -0.266 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876791090 590241406 /nfs/dbraw/zinc/24/14/06/590241406.db2.gz IKOCRYPSDCVYLW-AEJSXWLSSA-N 2 0 229.299 -0.213 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876791091 590241373 /nfs/dbraw/zinc/24/13/73/590241373.db2.gz IKOCRYPSDCVYLW-BBBLOLIVSA-N 2 0 229.299 -0.213 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876791092 590241377 /nfs/dbraw/zinc/24/13/77/590241377.db2.gz IKOCRYPSDCVYLW-IVZWLZJFSA-N 2 0 229.299 -0.213 20 0 BBADRP [NH3+][C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876791093 590241254 /nfs/dbraw/zinc/24/12/54/590241254.db2.gz IKOCRYPSDCVYLW-OPRDCNLKSA-N 2 0 229.299 -0.213 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000876791188 590241225 /nfs/dbraw/zinc/24/12/25/590241225.db2.gz KDZOAHICZYUHQJ-BDAKNGLRSA-N 2 0 211.309 -0.305 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000876791192 590241632 /nfs/dbraw/zinc/24/16/32/590241632.db2.gz KDZOAHICZYUHQJ-DTWKUNHWSA-N 2 0 211.309 -0.305 20 0 BBADRP CC1(C)[C@H](C(=O)NCC2C[NH2+]C2)C[C@@H]1[NH3+] ZINC000876791196 590241625 /nfs/dbraw/zinc/24/16/25/590241625.db2.gz KDZOAHICZYUHQJ-IUCAKERBSA-N 2 0 211.309 -0.305 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000876791224 590241196 /nfs/dbraw/zinc/24/11/96/590241196.db2.gz KDZOAHICZYUHQJ-RKDXNWHRSA-N 2 0 211.309 -0.305 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876791807 590241916 /nfs/dbraw/zinc/24/19/16/590241916.db2.gz ORFQJGMVGSOUQH-BDAKNGLRSA-N 2 0 217.288 -0.388 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876791808 590241938 /nfs/dbraw/zinc/24/19/38/590241938.db2.gz ORFQJGMVGSOUQH-DTWKUNHWSA-N 2 0 217.288 -0.388 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876791809 590242266 /nfs/dbraw/zinc/24/22/66/590242266.db2.gz ORFQJGMVGSOUQH-IUCAKERBSA-N 2 0 217.288 -0.388 20 0 BBADRP C[NH2+]CCN(C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876791810 590242079 /nfs/dbraw/zinc/24/20/79/590242079.db2.gz ORFQJGMVGSOUQH-RKDXNWHRSA-N 2 0 217.288 -0.388 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876792304 590241803 /nfs/dbraw/zinc/24/18/03/590241803.db2.gz OFGGGXSJXCXKBS-NXEZZACHSA-N 2 0 243.351 -0.288 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876792305 590242122 /nfs/dbraw/zinc/24/21/22/590242122.db2.gz OFGGGXSJXCXKBS-UWVGGRQHSA-N 2 0 243.351 -0.288 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876792306 590242179 /nfs/dbraw/zinc/24/21/79/590242179.db2.gz OFGGGXSJXCXKBS-VHSXEESVSA-N 2 0 243.351 -0.288 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876792307 590241939 /nfs/dbraw/zinc/24/19/39/590241939.db2.gz OFGGGXSJXCXKBS-ZJUUUORDSA-N 2 0 243.351 -0.288 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1(F)F ZINC000876792540 590241927 /nfs/dbraw/zinc/24/19/27/590241927.db2.gz XLDMXCYWKXZJEN-BWZBUEFSSA-N 2 0 233.262 -0.320 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]([NH3+])C2CC2)C1(F)F ZINC000876792541 590242245 /nfs/dbraw/zinc/24/22/45/590242245.db2.gz XLDMXCYWKXZJEN-GJMOJQLCSA-N 2 0 233.262 -0.320 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876796212 712629712 /nfs/dbraw/zinc/62/97/12/712629712.db2.gz JBHSCDXMFPHGOT-ACZMJKKPSA-N 2 0 221.251 -0.320 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876796213 712629567 /nfs/dbraw/zinc/62/95/67/712629567.db2.gz JBHSCDXMFPHGOT-VQVTYTSYSA-N 2 0 221.251 -0.320 20 0 BBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876797768 590242589 /nfs/dbraw/zinc/24/25/89/590242589.db2.gz UYYMSGXFIUCOJC-MNOVXSKESA-N 2 0 242.367 -0.524 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876797770 590242844 /nfs/dbraw/zinc/24/28/44/590242844.db2.gz UYYMSGXFIUCOJC-QWRGUYRKSA-N 2 0 242.367 -0.524 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000876797860 590240530 /nfs/dbraw/zinc/24/05/30/590240530.db2.gz CHKMUNHINRILSB-JTQLQIEISA-N 2 0 242.367 -0.619 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876798063 590242411 /nfs/dbraw/zinc/24/24/11/590242411.db2.gz WTFFKWWJAZOPTO-AEJSXWLSSA-N 2 0 228.340 -0.916 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000876798065 590240198 /nfs/dbraw/zinc/24/01/98/590240198.db2.gz WTFFKWWJAZOPTO-BBBLOLIVSA-N 2 0 228.340 -0.916 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000876798066 590240337 /nfs/dbraw/zinc/24/03/37/590240337.db2.gz WTFFKWWJAZOPTO-GUBZILKMSA-N 2 0 228.340 -0.916 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000876798068 590240565 /nfs/dbraw/zinc/24/05/65/590240565.db2.gz WTFFKWWJAZOPTO-UTLUCORTSA-N 2 0 228.340 -0.916 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCC2)C1(F)F ZINC000876798296 590240580 /nfs/dbraw/zinc/24/05/80/590240580.db2.gz FYTKCLHZOWFFMJ-RNFRBKRXSA-N 2 0 233.262 -0.176 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000876801074 584887177 /nfs/dbraw/zinc/88/71/77/584887177.db2.gz ZLXISFVDQWKMRJ-CMPLNLGQSA-N 2 0 242.367 -0.619 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000876801075 584887331 /nfs/dbraw/zinc/88/73/31/584887331.db2.gz ZLXISFVDQWKMRJ-JQWIXIFHSA-N 2 0 242.367 -0.619 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000876805941 584887149 /nfs/dbraw/zinc/88/71/49/584887149.db2.gz IOWCVRRSFURYTE-CMPLNLGQSA-N 2 0 240.351 -0.913 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000876805942 584887355 /nfs/dbraw/zinc/88/73/55/584887355.db2.gz IOWCVRRSFURYTE-JQWIXIFHSA-N 2 0 240.351 -0.913 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876807543 590244863 /nfs/dbraw/zinc/24/48/63/590244863.db2.gz GHYAKOGSALUIPS-KKZNHRDASA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H](C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876807575 590244721 /nfs/dbraw/zinc/24/47/21/590244721.db2.gz GXNPRMSWJIYYCI-SRQIZXRXSA-N 2 0 207.224 -0.710 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)C1(F)F ZINC000876808387 590244994 /nfs/dbraw/zinc/24/49/94/590244994.db2.gz QLTBJOYUMOBKJZ-BWZBUEFSSA-N 2 0 249.261 -0.988 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1(F)F ZINC000876808388 590244764 /nfs/dbraw/zinc/24/47/64/590244764.db2.gz QLTBJOYUMOBKJZ-XLPZGREQSA-N 2 0 249.261 -0.988 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000876808501 590244794 /nfs/dbraw/zinc/24/47/94/590244794.db2.gz JNKBGOXDMUDMHO-NSHDSACASA-N 2 0 236.319 -0.027 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876808903 590244870 /nfs/dbraw/zinc/24/48/70/590244870.db2.gz VWDJNGIUJXCNQN-IVZWLZJFSA-N 2 0 241.335 -0.454 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000876808904 590244862 /nfs/dbraw/zinc/24/48/62/590244862.db2.gz VWDJNGIUJXCNQN-KXUCPTDWSA-N 2 0 241.335 -0.454 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876808905 590244910 /nfs/dbraw/zinc/24/49/10/590244910.db2.gz VWDJNGIUJXCNQN-LPEHRKFASA-N 2 0 241.335 -0.454 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000876808906 590245097 /nfs/dbraw/zinc/24/50/97/590245097.db2.gz VWDJNGIUJXCNQN-OPRDCNLKSA-N 2 0 241.335 -0.454 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000876809569 590245339 /nfs/dbraw/zinc/24/53/39/590245339.db2.gz ZZKWYIAWTINTGG-BPZJVPEQSA-N 2 0 211.309 -0.139 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000876809570 590245294 /nfs/dbraw/zinc/24/52/94/590245294.db2.gz ZZKWYIAWTINTGG-XIHHUCLVSA-N 2 0 211.309 -0.139 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC2=CC[NH2+]CC2)C1(F)F ZINC000876809738 590245359 /nfs/dbraw/zinc/24/53/59/590245359.db2.gz IORWYTMLFNCPFD-RKDXNWHRSA-N 2 0 245.273 -0.138 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876812944 590245219 /nfs/dbraw/zinc/24/52/19/590245219.db2.gz PCXQKFAJOUSNBT-JBDRJPRFSA-N 2 0 247.289 -0.059 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876812945 590245437 /nfs/dbraw/zinc/24/54/37/590245437.db2.gz PCXQKFAJOUSNBT-MAUMQABQSA-N 2 0 247.289 -0.059 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876812946 590245214 /nfs/dbraw/zinc/24/52/14/590245214.db2.gz PCXQKFAJOUSNBT-XAVMHZPKSA-N 2 0 247.289 -0.059 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876812947 584887085 /nfs/dbraw/zinc/88/70/85/584887085.db2.gz PCXQKFAJOUSNBT-XGEHTFHBSA-N 2 0 247.289 -0.059 20 0 BBADRP CC(C)[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[NH2+]1 ZINC000876827026 590246543 /nfs/dbraw/zinc/24/65/43/590246543.db2.gz HGBCGVIHYICHFD-WDEREUQCSA-N 2 0 242.367 -0.668 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000876827149 590246890 /nfs/dbraw/zinc/24/68/90/590246890.db2.gz LAEBSLNLJRQYFG-AXFHLTTASA-N 2 0 240.351 -0.772 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876828576 590246921 /nfs/dbraw/zinc/24/69/21/590246921.db2.gz BLKJBOJHJGACNR-AEJSXWLSSA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876828577 590246991 /nfs/dbraw/zinc/24/69/91/590246991.db2.gz BLKJBOJHJGACNR-GUBZILKMSA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876828578 590245848 /nfs/dbraw/zinc/24/58/48/590245848.db2.gz BLKJBOJHJGACNR-IVZWLZJFSA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876828579 590246002 /nfs/dbraw/zinc/24/60/02/590246002.db2.gz BLKJBOJHJGACNR-LPEHRKFASA-N 2 0 229.299 -0.246 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000876829052 590246830 /nfs/dbraw/zinc/24/68/30/590246830.db2.gz AWVFHTOEPQCUNW-VIFPVBQESA-N 2 0 239.323 -0.478 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000876829067 590246816 /nfs/dbraw/zinc/24/68/16/590246816.db2.gz BJVLRFOMJWXBHW-NRPADANISA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000876829068 590246887 /nfs/dbraw/zinc/24/68/87/590246887.db2.gz BJVLRFOMJWXBHW-OYNCUSHFSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000876829069 590246763 /nfs/dbraw/zinc/24/67/63/590246763.db2.gz BJVLRFOMJWXBHW-QXFUBDJGSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000876829070 590246901 /nfs/dbraw/zinc/24/69/01/590246901.db2.gz BJVLRFOMJWXBHW-XKSSXDPKSA-N 2 0 215.297 -0.783 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000876829379 590246883 /nfs/dbraw/zinc/24/68/83/590246883.db2.gz SALIVZVJAMZOTK-AEJSXWLSSA-N 2 0 228.340 -0.739 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876829380 590247003 /nfs/dbraw/zinc/24/70/03/590247003.db2.gz SALIVZVJAMZOTK-BBBLOLIVSA-N 2 0 228.340 -0.739 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000876829381 590246874 /nfs/dbraw/zinc/24/68/74/590246874.db2.gz SALIVZVJAMZOTK-GUBZILKMSA-N 2 0 228.340 -0.739 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000876829382 590245729 /nfs/dbraw/zinc/24/57/29/590245729.db2.gz SALIVZVJAMZOTK-UTLUCORTSA-N 2 0 228.340 -0.739 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000876829945 590247374 /nfs/dbraw/zinc/24/73/74/590247374.db2.gz VOHYFNMQXCHQOH-WCBMZHEXSA-N 2 0 215.297 -0.795 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000876829946 590247278 /nfs/dbraw/zinc/24/72/78/590247278.db2.gz VOHYFNMQXCHQOH-WPRPVWTQSA-N 2 0 215.297 -0.795 20 0 BBADRP COC[C@@]1(C(=O)N[C@@H](C)C[NH3+])CCCC[NH2+]1 ZINC000876829997 590247306 /nfs/dbraw/zinc/24/73/06/590247306.db2.gz XSYQWISKFMCINO-GXSJLCMTSA-N 2 0 229.324 -0.392 20 0 BBADRP COC[C@]1(C(=O)N[C@@H](C)C[NH3+])CCCC[NH2+]1 ZINC000876829998 590247271 /nfs/dbraw/zinc/24/72/71/590247271.db2.gz XSYQWISKFMCINO-ONGXEEELSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876830321 590247304 /nfs/dbraw/zinc/24/73/04/590247304.db2.gz GHYAKOGSALUIPS-NGZCFLSTSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876830347 590247364 /nfs/dbraw/zinc/24/73/64/590247364.db2.gz GXNPRMSWJIYYCI-ZLUOBGJFSA-N 2 0 207.224 -0.710 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000876830554 590247334 /nfs/dbraw/zinc/24/73/34/590247334.db2.gz MOWUHQHVQAOTAY-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876830716 590247176 /nfs/dbraw/zinc/24/71/76/590247176.db2.gz QHZAQKBBMSFXLC-JBDRJPRFSA-N 2 0 247.289 -0.059 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876830717 590247370 /nfs/dbraw/zinc/24/73/70/590247370.db2.gz QHZAQKBBMSFXLC-MAUMQABQSA-N 2 0 247.289 -0.059 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876830718 590247123 /nfs/dbraw/zinc/24/71/23/590247123.db2.gz QHZAQKBBMSFXLC-XAVMHZPKSA-N 2 0 247.289 -0.059 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876830719 590247106 /nfs/dbraw/zinc/24/71/06/590247106.db2.gz QHZAQKBBMSFXLC-XGEHTFHBSA-N 2 0 247.289 -0.059 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000876831442 584887621 /nfs/dbraw/zinc/88/76/21/584887621.db2.gz ZZKWYIAWTINTGG-QMQZJIAKSA-N 2 0 211.309 -0.139 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000876831444 584887513 /nfs/dbraw/zinc/88/75/13/584887513.db2.gz ZZKWYIAWTINTGG-RPYIUOHFSA-N 2 0 211.309 -0.139 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876831755 590247666 /nfs/dbraw/zinc/24/76/66/590247666.db2.gz JOFRNRVBMJSUQC-AEJSXWLSSA-N 2 0 228.340 -0.916 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1C ZINC000876831757 590247652 /nfs/dbraw/zinc/24/76/52/590247652.db2.gz JOFRNRVBMJSUQC-BBBLOLIVSA-N 2 0 228.340 -0.916 20 0 BBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1C ZINC000876831758 590247682 /nfs/dbraw/zinc/24/76/82/590247682.db2.gz JOFRNRVBMJSUQC-GUBZILKMSA-N 2 0 228.340 -0.916 20 0 BBADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1C ZINC000876831759 590247575 /nfs/dbraw/zinc/24/75/75/590247575.db2.gz JOFRNRVBMJSUQC-UTLUCORTSA-N 2 0 228.340 -0.916 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876831850 590247752 /nfs/dbraw/zinc/24/77/52/590247752.db2.gz KYYWXMIGZQQTLP-GUBZILKMSA-N 2 0 228.340 -0.868 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876833589 590247900 /nfs/dbraw/zinc/24/79/00/590247900.db2.gz IPUDVTSNXUFVSY-SRQIZXRXSA-N 2 0 207.224 -0.710 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876833590 590247896 /nfs/dbraw/zinc/24/78/96/590247896.db2.gz IPUDVTSNXUFVSY-ZLUOBGJFSA-N 2 0 207.224 -0.710 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876834529 590247847 /nfs/dbraw/zinc/24/78/47/590247847.db2.gz QGPVRHIIYSSBHA-KKZNHRDASA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]([NH3+])CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876834530 590247854 /nfs/dbraw/zinc/24/78/54/590247854.db2.gz QGPVRHIIYSSBHA-NGZCFLSTSA-N 2 0 211.309 -0.018 20 0 BBADRP CC[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[C@H]1[NH3+] ZINC000876834627 590247981 /nfs/dbraw/zinc/24/79/81/590247981.db2.gz TUXUPDRZGAKTRG-AXFHLTTASA-N 2 0 242.367 -0.539 20 0 BBADRP CC[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000876834628 590247979 /nfs/dbraw/zinc/24/79/79/590247979.db2.gz TUXUPDRZGAKTRG-DCAQKATOSA-N 2 0 242.367 -0.539 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[C@H]1[NH3+] ZINC000876834630 590245605 /nfs/dbraw/zinc/24/56/05/590245605.db2.gz TUXUPDRZGAKTRG-MXWKQRLJSA-N 2 0 242.367 -0.539 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000876834634 590245610 /nfs/dbraw/zinc/24/56/10/590245610.db2.gz TUXUPDRZGAKTRG-VWYCJHECSA-N 2 0 242.367 -0.539 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000876834869 590247886 /nfs/dbraw/zinc/24/78/86/590247886.db2.gz VCIHXIOUVHYWDF-BPZJVPEQSA-N 2 0 211.309 -0.139 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)[NH3+] ZINC000876834871 590247844 /nfs/dbraw/zinc/24/78/44/590247844.db2.gz VCIHXIOUVHYWDF-QMQZJIAKSA-N 2 0 211.309 -0.139 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)[NH3+] ZINC000876834873 590246450 /nfs/dbraw/zinc/24/64/50/590246450.db2.gz VCIHXIOUVHYWDF-RPYIUOHFSA-N 2 0 211.309 -0.139 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000876834874 590246377 /nfs/dbraw/zinc/24/63/77/590246377.db2.gz VCIHXIOUVHYWDF-XIHHUCLVSA-N 2 0 211.309 -0.139 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876837235 590248287 /nfs/dbraw/zinc/24/82/87/590248287.db2.gz OLAOSRJLWROASS-CSMHCCOUSA-N 2 0 235.278 -0.059 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000876838588 590248278 /nfs/dbraw/zinc/24/82/78/590248278.db2.gz RJKTYWDCXWZIKO-MNOVXSKESA-N 2 0 242.367 -0.537 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000876838592 590248454 /nfs/dbraw/zinc/24/84/54/590248454.db2.gz RJKTYWDCXWZIKO-QWRGUYRKSA-N 2 0 242.367 -0.537 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1(F)F ZINC000876838957 590248473 /nfs/dbraw/zinc/24/84/73/590248473.db2.gz WWNTXZWRHIOULQ-BZNPZCIMSA-N 2 0 245.273 -0.496 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876843191 590249061 /nfs/dbraw/zinc/24/90/61/590249061.db2.gz QCKDLROQCGCZGR-GUBZILKMSA-N 2 0 246.330 -0.966 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876846510 590248991 /nfs/dbraw/zinc/24/89/91/590248991.db2.gz CKMGOZNBVKQEMJ-BDAKNGLRSA-N 2 0 217.288 -0.388 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876846511 590248805 /nfs/dbraw/zinc/24/88/05/590248805.db2.gz CKMGOZNBVKQEMJ-DTWKUNHWSA-N 2 0 217.288 -0.388 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876846512 590249057 /nfs/dbraw/zinc/24/90/57/590249057.db2.gz CKMGOZNBVKQEMJ-IUCAKERBSA-N 2 0 217.288 -0.388 20 0 BBADRP C[NH+](C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876846513 590248845 /nfs/dbraw/zinc/24/88/45/590248845.db2.gz CKMGOZNBVKQEMJ-RKDXNWHRSA-N 2 0 217.288 -0.388 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000876848151 590247688 /nfs/dbraw/zinc/24/76/88/590247688.db2.gz PGASLLSLYUHMIT-MNOVXSKESA-N 2 0 242.367 -0.395 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000876848152 590247893 /nfs/dbraw/zinc/24/78/93/590247893.db2.gz PGASLLSLYUHMIT-QWRGUYRKSA-N 2 0 242.367 -0.395 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876849542 590249591 /nfs/dbraw/zinc/24/95/91/590249591.db2.gz UACPURKDRWLMIU-CHWFTXMASA-N 2 0 242.367 -0.622 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876849543 590249532 /nfs/dbraw/zinc/24/95/32/590249532.db2.gz UACPURKDRWLMIU-RCWTZXSCSA-N 2 0 242.367 -0.622 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876849544 590249583 /nfs/dbraw/zinc/24/95/83/590249583.db2.gz UACPURKDRWLMIU-VPOLOUISSA-N 2 0 242.367 -0.622 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876849545 590249393 /nfs/dbraw/zinc/24/93/93/590249393.db2.gz UACPURKDRWLMIU-ZNSHCXBVSA-N 2 0 242.367 -0.622 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876850907 590249602 /nfs/dbraw/zinc/24/96/02/590249602.db2.gz FCNSVQJNBKBXPE-XAMCCFCMSA-N 2 0 233.262 -0.226 20 0 BBADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876854796 590250041 /nfs/dbraw/zinc/25/00/41/590250041.db2.gz KGSBDUIHEFXGNL-UWVGGRQHSA-N 2 0 230.356 -0.491 20 0 BBADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876854797 590250024 /nfs/dbraw/zinc/25/00/24/590250024.db2.gz KGSBDUIHEFXGNL-ZJUUUORDSA-N 2 0 230.356 -0.491 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876855974 590249971 /nfs/dbraw/zinc/24/99/71/590249971.db2.gz HYNUJMHJROPNIM-AATLWQCWSA-N 2 0 247.289 -0.250 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876855975 590250066 /nfs/dbraw/zinc/25/00/66/590250066.db2.gz HYNUJMHJROPNIM-KATARQTJSA-N 2 0 247.289 -0.250 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876855976 590249948 /nfs/dbraw/zinc/24/99/48/590249948.db2.gz HYNUJMHJROPNIM-XFWSIPNHSA-N 2 0 247.289 -0.250 20 0 BBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876855977 590250021 /nfs/dbraw/zinc/25/00/21/590250021.db2.gz HYNUJMHJROPNIM-XKNYDFJKSA-N 2 0 247.289 -0.250 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000876856285 590249826 /nfs/dbraw/zinc/24/98/26/590249826.db2.gz DUAOKWYVYVAXFC-DCAQKATOSA-N 2 0 240.351 -0.914 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000876856286 590249788 /nfs/dbraw/zinc/24/97/88/590249788.db2.gz DUAOKWYVYVAXFC-GARJFASQSA-N 2 0 240.351 -0.914 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000876856287 584887380 /nfs/dbraw/zinc/88/73/80/584887380.db2.gz DUAOKWYVYVAXFC-OUAUKWLOSA-N 2 0 240.351 -0.914 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000876856288 584887613 /nfs/dbraw/zinc/88/76/13/584887613.db2.gz DUAOKWYVYVAXFC-VWYCJHECSA-N 2 0 240.351 -0.914 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876858716 590250485 /nfs/dbraw/zinc/25/04/85/590250485.db2.gz IMOCUKGAVXJUPM-GENCIFFESA-N 2 0 227.283 -0.732 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876858717 590250475 /nfs/dbraw/zinc/25/04/75/590250475.db2.gz IMOCUKGAVXJUPM-SPFKKGSWSA-N 2 0 227.283 -0.732 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876858718 590250521 /nfs/dbraw/zinc/25/05/21/590250521.db2.gz IMOCUKGAVXJUPM-SRQGCSHVSA-N 2 0 227.283 -0.732 20 0 BBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876858719 590250600 /nfs/dbraw/zinc/25/06/00/590250600.db2.gz IMOCUKGAVXJUPM-ZJDVBMNYSA-N 2 0 227.283 -0.732 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC000876860162 590250715 /nfs/dbraw/zinc/25/07/15/590250715.db2.gz UKGKFPYSINVYIZ-VIFPVBQESA-N 2 0 230.356 -0.491 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876860432 590250560 /nfs/dbraw/zinc/25/05/60/590250560.db2.gz ASIAGTRHHRTSCQ-JBDRJPRFSA-N 2 0 217.288 -0.214 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876860433 590250690 /nfs/dbraw/zinc/25/06/90/590250690.db2.gz ASIAGTRHHRTSCQ-MAUMQABQSA-N 2 0 217.288 -0.214 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876860434 590250671 /nfs/dbraw/zinc/25/06/71/590250671.db2.gz ASIAGTRHHRTSCQ-RBXMUDONSA-N 2 0 217.288 -0.214 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876860435 590250554 /nfs/dbraw/zinc/25/05/54/590250554.db2.gz ASIAGTRHHRTSCQ-XSPKLOCKSA-N 2 0 217.288 -0.214 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876861292 590250719 /nfs/dbraw/zinc/25/07/19/590250719.db2.gz VUMHRAMVSCMHDU-AXMZGBSTSA-N 2 0 221.251 -0.322 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876861293 590250969 /nfs/dbraw/zinc/25/09/69/590250969.db2.gz VUMHRAMVSCMHDU-BWBBJGPYSA-N 2 0 221.251 -0.322 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876861294 590251034 /nfs/dbraw/zinc/25/10/34/590251034.db2.gz VUMHRAMVSCMHDU-JWXFUTCRSA-N 2 0 221.251 -0.322 20 0 BBADRP C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@H](C)[NH3+] ZINC000876861295 590251144 /nfs/dbraw/zinc/25/11/44/590251144.db2.gz VUMHRAMVSCMHDU-VZFHVOOUSA-N 2 0 221.251 -0.322 20 0 BBADRP CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC([NH3+])C1 ZINC000876861621 590250947 /nfs/dbraw/zinc/25/09/47/590250947.db2.gz BLUBRFQMLZFFCH-GHNGIAPOSA-N 2 0 233.262 -0.226 20 0 BBADRP CN(C(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000876863036 590251090 /nfs/dbraw/zinc/25/10/90/590251090.db2.gz ZYBAPQYZZRQXOC-AUXWQGHOSA-N 2 0 229.299 -0.118 20 0 BBADRP CN(C(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000876863037 590251017 /nfs/dbraw/zinc/25/10/17/590251017.db2.gz ZYBAPQYZZRQXOC-NFTFJBJSSA-N 2 0 229.299 -0.118 20 0 BBADRP CN(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000876863038 590248732 /nfs/dbraw/zinc/24/87/32/590248732.db2.gz ZYBAPQYZZRQXOC-SEZDTBSWSA-N 2 0 229.299 -0.118 20 0 BBADRP CN(C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000876863039 590248986 /nfs/dbraw/zinc/24/89/86/590248986.db2.gz ZYBAPQYZZRQXOC-WOOKNIGNSA-N 2 0 229.299 -0.118 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876864058 590251063 /nfs/dbraw/zinc/25/10/63/590251063.db2.gz MSJVLBKFMSPVHU-CIUDSAMLSA-N 2 0 217.288 -0.213 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876864059 590250937 /nfs/dbraw/zinc/25/09/37/590250937.db2.gz MSJVLBKFMSPVHU-HRDYMLBCSA-N 2 0 217.288 -0.213 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876864060 590251071 /nfs/dbraw/zinc/25/10/71/590251071.db2.gz MSJVLBKFMSPVHU-VGMNWLOBSA-N 2 0 217.288 -0.213 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876864061 590250875 /nfs/dbraw/zinc/25/08/75/590250875.db2.gz MSJVLBKFMSPVHU-XHNCKOQMSA-N 2 0 217.288 -0.213 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876864747 590250943 /nfs/dbraw/zinc/25/09/43/590250943.db2.gz VLYKOCLFPGSCIH-ACZMJKKPSA-N 2 0 221.251 -0.320 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876864748 590251080 /nfs/dbraw/zinc/25/10/80/590251080.db2.gz VLYKOCLFPGSCIH-VQVTYTSYSA-N 2 0 221.251 -0.320 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866763 590251579 /nfs/dbraw/zinc/25/15/79/590251579.db2.gz XCCQOPKVSDLOLO-CSMHCCOUSA-N 2 0 249.261 -0.784 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866764 590251719 /nfs/dbraw/zinc/25/17/19/590251719.db2.gz XCCQOPKVSDLOLO-PRJMDXOYSA-N 2 0 249.261 -0.784 20 0 BBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)C1(C[NH3+])CCC1 ZINC000876867040 590251545 /nfs/dbraw/zinc/25/15/45/590251545.db2.gz PBSMWMZQZXKZQV-VIFPVBQESA-N 2 0 228.340 -0.785 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000876867634 590251456 /nfs/dbraw/zinc/25/14/56/590251456.db2.gz ICRJMSKNDREKTP-MNOVXSKESA-N 2 0 242.367 -0.476 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000876867635 590251528 /nfs/dbraw/zinc/25/15/28/590251528.db2.gz ICRJMSKNDREKTP-QWRGUYRKSA-N 2 0 242.367 -0.476 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000876869188 590251619 /nfs/dbraw/zinc/25/16/19/590251619.db2.gz CBJDTIDTTNQRFB-UWVGGRQHSA-N 2 0 242.367 -0.620 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000876869190 590251563 /nfs/dbraw/zinc/25/15/63/590251563.db2.gz CBJDTIDTTNQRFB-VHSXEESVSA-N 2 0 242.367 -0.620 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1(F)F ZINC000876869734 590251387 /nfs/dbraw/zinc/25/13/87/590251387.db2.gz CJAWFSLFVIUPGL-LURQLKTLSA-N 2 0 245.273 -0.353 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000876870452 590251363 /nfs/dbraw/zinc/25/13/63/590251363.db2.gz KYAGHVVBAHPWNZ-GARJFASQSA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000876870550 590251356 /nfs/dbraw/zinc/25/13/56/590251356.db2.gz MCWOUGBBLZYUNV-BBBLOLIVSA-N 2 0 211.309 -0.243 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000876870708 590251782 /nfs/dbraw/zinc/25/17/82/590251782.db2.gz CRQQORIYVBCHCC-DTWKUNHWSA-N 2 0 228.340 -0.868 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000876870709 590251969 /nfs/dbraw/zinc/25/19/69/590251969.db2.gz CRQQORIYVBCHCC-IUCAKERBSA-N 2 0 228.340 -0.868 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000876870712 590252109 /nfs/dbraw/zinc/25/21/09/590252109.db2.gz CTFAIZBQZYXXSA-VIFPVBQESA-N 2 0 228.340 -0.914 20 0 BBADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871538 590252068 /nfs/dbraw/zinc/25/20/68/590252068.db2.gz LNAXLRGMKJXOLF-AEJSXWLSSA-N 2 0 211.309 -0.195 20 0 BBADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871540 590251936 /nfs/dbraw/zinc/25/19/36/590251936.db2.gz LNAXLRGMKJXOLF-BBBLOLIVSA-N 2 0 211.309 -0.195 20 0 BBADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000876872001 590251841 /nfs/dbraw/zinc/25/18/41/590251841.db2.gz QHHWUSGFPLHFST-MXWKQRLJSA-N 2 0 221.304 -0.146 20 0 BBADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000876872002 590251979 /nfs/dbraw/zinc/25/19/79/590251979.db2.gz QHHWUSGFPLHFST-VWYCJHECSA-N 2 0 221.304 -0.146 20 0 BBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872100 590251773 /nfs/dbraw/zinc/25/17/73/590251773.db2.gz QSDFHSYSVOUVET-CHWFTXMASA-N 2 0 241.310 -0.246 20 0 BBADRP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872101 590252101 /nfs/dbraw/zinc/25/21/01/590252101.db2.gz QSDFHSYSVOUVET-RCWTZXSCSA-N 2 0 241.310 -0.246 20 0 BBADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872102 590251974 /nfs/dbraw/zinc/25/19/74/590251974.db2.gz QSDFHSYSVOUVET-VPOLOUISSA-N 2 0 241.310 -0.246 20 0 BBADRP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872103 590251833 /nfs/dbraw/zinc/25/18/33/590251833.db2.gz QSDFHSYSVOUVET-ZNSHCXBVSA-N 2 0 241.310 -0.246 20 0 BBADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876899057 590255722 /nfs/dbraw/zinc/25/57/22/590255722.db2.gz ZLDVKJQFUSAJHD-NSHDSACASA-N 2 0 242.367 -0.572 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000876911929 590255937 /nfs/dbraw/zinc/25/59/37/590255937.db2.gz ARASEWQMLVHVCW-QWRGUYRKSA-N 2 0 242.367 -0.491 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000876911930 590255993 /nfs/dbraw/zinc/25/59/93/590255993.db2.gz ARASEWQMLVHVCW-WDEREUQCSA-N 2 0 242.367 -0.491 20 0 BBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C[NH3+])C1CC1 ZINC000876913327 590256389 /nfs/dbraw/zinc/25/63/89/590256389.db2.gz DBNHYERDLCBDBS-UWVGGRQHSA-N 2 0 228.340 -0.929 20 0 BBADRP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C[NH3+])C1CC1 ZINC000876913328 590256405 /nfs/dbraw/zinc/25/64/05/590256405.db2.gz DBNHYERDLCBDBS-VHSXEESVSA-N 2 0 228.340 -0.929 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@H]1[NH3+] ZINC000876915609 590256376 /nfs/dbraw/zinc/25/63/76/590256376.db2.gz WHNIMBPEJQYPMY-CWKFCGSDSA-N 2 0 233.262 -0.368 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000876916129 590256794 /nfs/dbraw/zinc/25/67/94/590256794.db2.gz LYEOMSNQIJVTAE-DTWKUNHWSA-N 2 0 230.356 -0.635 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000876916130 590256834 /nfs/dbraw/zinc/25/68/34/590256834.db2.gz LYEOMSNQIJVTAE-IUCAKERBSA-N 2 0 230.356 -0.635 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000876916877 590256773 /nfs/dbraw/zinc/25/67/73/590256773.db2.gz IOIDXJLHNDDHTC-IVZWLZJFSA-N 2 0 241.335 -0.536 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000876916878 590256712 /nfs/dbraw/zinc/25/67/12/590256712.db2.gz IOIDXJLHNDDHTC-KXUCPTDWSA-N 2 0 241.335 -0.536 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000876916879 584887751 /nfs/dbraw/zinc/88/77/51/584887751.db2.gz IOIDXJLHNDDHTC-LPEHRKFASA-N 2 0 241.335 -0.536 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000876916880 584887802 /nfs/dbraw/zinc/88/78/02/584887802.db2.gz IOIDXJLHNDDHTC-OPRDCNLKSA-N 2 0 241.335 -0.536 20 0 BBADRP CN(CC[NH3+])C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876918007 590256914 /nfs/dbraw/zinc/25/69/14/590256914.db2.gz DVROHXCEVIYATN-KOLCDFICSA-N 2 0 211.309 -0.064 20 0 BBADRP CN(CC[NH3+])C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876918303 590257231 /nfs/dbraw/zinc/25/72/31/590257231.db2.gz GZXRPCGPXAHRJC-LWTINBJPSA-N 2 0 211.309 -0.041 20 0 BBADRP CN(CC[NH3+])C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876918304 590257522 /nfs/dbraw/zinc/25/75/22/590257522.db2.gz GZXRPCGPXAHRJC-ORAHPGNNSA-N 2 0 211.309 -0.041 20 0 BBADRP CN(CC[NH3+])C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876918305 590257617 /nfs/dbraw/zinc/25/76/17/590257617.db2.gz GZXRPCGPXAHRJC-UMCURTJPSA-N 2 0 211.309 -0.041 20 0 BBADRP CN(CC[NH3+])C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876918306 590257464 /nfs/dbraw/zinc/25/74/64/590257464.db2.gz GZXRPCGPXAHRJC-YEZKRMTDSA-N 2 0 211.309 -0.041 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC[NH3+] ZINC000876919753 584888096 /nfs/dbraw/zinc/88/80/96/584888096.db2.gz YUHBCKBWDBBLRM-HIHHVFROSA-N 2 0 211.309 -0.185 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC[NH3+] ZINC000876919754 584888091 /nfs/dbraw/zinc/88/80/91/584888091.db2.gz YUHBCKBWDBBLRM-HWKXXFMVSA-N 2 0 211.309 -0.185 20 0 BBADRP C[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000876919781 590257427 /nfs/dbraw/zinc/25/74/27/590257427.db2.gz YVONTKMJHHDPNO-AXFHLTTASA-N 2 0 242.367 -0.681 20 0 BBADRP C[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000876919782 590257165 /nfs/dbraw/zinc/25/71/65/590257165.db2.gz YVONTKMJHHDPNO-DCAQKATOSA-N 2 0 242.367 -0.681 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000876919783 590257159 /nfs/dbraw/zinc/25/71/59/590257159.db2.gz YVONTKMJHHDPNO-MXWKQRLJSA-N 2 0 242.367 -0.681 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000876919784 590257349 /nfs/dbraw/zinc/25/73/49/590257349.db2.gz YVONTKMJHHDPNO-VWYCJHECSA-N 2 0 242.367 -0.681 20 0 BBADRP CN(CC[NH3+])C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876919883 590257385 /nfs/dbraw/zinc/25/73/85/590257385.db2.gz ZQBKRSWZGQHNOZ-WDSKDSINSA-N 2 0 207.224 -0.757 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876922877 590257448 /nfs/dbraw/zinc/25/74/48/590257448.db2.gz AITCFFSTJZVLHU-CMPLNLGQSA-N 2 0 240.351 -0.770 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876922878 590257239 /nfs/dbraw/zinc/25/72/39/590257239.db2.gz AITCFFSTJZVLHU-JQWIXIFHSA-N 2 0 240.351 -0.770 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876924315 590257897 /nfs/dbraw/zinc/25/78/97/590257897.db2.gz LREFCMOEMAJBHQ-JFGNBEQYSA-N 2 0 239.319 -0.543 20 0 BBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876924316 590257751 /nfs/dbraw/zinc/25/77/51/590257751.db2.gz LREFCMOEMAJBHQ-SCVCMEIPSA-N 2 0 239.319 -0.543 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC(C)(C)CC[NH3+] ZINC000876927254 590257914 /nfs/dbraw/zinc/25/79/14/590257914.db2.gz WYJALXDEXCKZQA-QMMMGPOBSA-N 2 0 216.329 -0.881 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000876933353 590258605 /nfs/dbraw/zinc/25/86/05/590258605.db2.gz MULGYCJDWORNIO-KXUCPTDWSA-N 2 0 228.340 -0.739 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876933865 584888078 /nfs/dbraw/zinc/88/80/78/584888078.db2.gz AADJOHXCXGLPLZ-CIUDSAMLSA-N 2 0 216.329 -0.883 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876933868 584887936 /nfs/dbraw/zinc/88/79/36/584887936.db2.gz AADJOHXCXGLPLZ-HLTSFMKQSA-N 2 0 216.329 -0.883 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876933874 584888007 /nfs/dbraw/zinc/88/80/07/584888007.db2.gz AADJOHXCXGLPLZ-VGMNWLOBSA-N 2 0 216.329 -0.883 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](N)C[NH+](C)C ZINC000876933887 584888072 /nfs/dbraw/zinc/88/80/72/584888072.db2.gz AADJOHXCXGLPLZ-YIZRAAEISA-N 2 0 216.329 -0.883 20 0 BBADRP [NH3+]CCCCCCNC(=O)CN1CC[NH2+]CC1 ZINC000876937855 590258903 /nfs/dbraw/zinc/25/89/03/590258903.db2.gz GILHVUGUYHPVEA-UHFFFAOYSA-N 2 0 242.367 -0.473 20 0 BBADRP [NH3+]CCCCCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000876938193 584888085 /nfs/dbraw/zinc/88/80/85/584888085.db2.gz UVMJRYRGXFTILL-VHSXEESVSA-N 2 0 229.324 -0.262 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000876938303 590259056 /nfs/dbraw/zinc/25/90/56/590259056.db2.gz YPXWKJKEWWSHJP-JTQLQIEISA-N 2 0 230.356 -0.489 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000876939380 590259255 /nfs/dbraw/zinc/25/92/55/590259255.db2.gz XBBXKPCLNSRTBW-JTQLQIEISA-N 2 0 228.340 -0.866 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000876949859 590259470 /nfs/dbraw/zinc/25/94/70/590259470.db2.gz BDGZBZDALVIDEF-NSHDSACASA-N 2 0 242.367 -0.537 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000876951500 590260404 /nfs/dbraw/zinc/26/04/04/590260404.db2.gz NLANNHHAJGLTLK-NSHDSACASA-N 2 0 242.367 -0.619 20 0 BBADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)C[NH+](C)C ZINC000876957806 590260735 /nfs/dbraw/zinc/26/07/35/590260735.db2.gz HIXZSNYZKPKOPV-QMMMGPOBSA-N 2 0 216.329 -0.929 20 0 BBADRP CC1(C)[C@H](C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000876963559 590262094 /nfs/dbraw/zinc/26/20/94/590262094.db2.gz RKBLLUUHOIAENQ-CIUDSAMLSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000876963560 590262054 /nfs/dbraw/zinc/26/20/54/590262054.db2.gz RKBLLUUHOIAENQ-YIZRAAEISA-N 2 0 211.309 -0.162 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000876963976 590262004 /nfs/dbraw/zinc/26/20/04/590262004.db2.gz NTLDHTZGMBNSDV-VIFPVBQESA-N 2 0 228.340 -0.737 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC3CC2(C[NH3+])C3)C1(F)F ZINC000876969403 584888341 /nfs/dbraw/zinc/88/83/41/584888341.db2.gz OUCJSTVKARJOEV-FATLICPNSA-N 2 0 245.273 -0.224 20 0 BBADRP C[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000876971544 590263118 /nfs/dbraw/zinc/26/31/18/590263118.db2.gz JNALUOBOZMWXFI-VWYCJHECSA-N 2 0 242.367 -0.539 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC23CC(C2)C[NH2+]3)C1(F)F ZINC000876974956 590263639 /nfs/dbraw/zinc/26/36/39/590263639.db2.gz YGDZMGVPXYUSTQ-FATLICPNSA-N 2 0 245.273 -0.305 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876976987 590264030 /nfs/dbraw/zinc/26/40/30/590264030.db2.gz QGXLMQPAUVDMLO-MBPTXSFVSA-N 2 0 241.310 -0.198 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876976989 590263803 /nfs/dbraw/zinc/26/38/03/590263803.db2.gz QGXLMQPAUVDMLO-OWNCLDLKSA-N 2 0 241.310 -0.198 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876976990 590264052 /nfs/dbraw/zinc/26/40/52/590264052.db2.gz QGXLMQPAUVDMLO-QLWZBITOSA-N 2 0 241.310 -0.198 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876976991 590263976 /nfs/dbraw/zinc/26/39/76/590263976.db2.gz QGXLMQPAUVDMLO-WDHPUFTPSA-N 2 0 241.310 -0.198 20 0 BBADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876977332 590263999 /nfs/dbraw/zinc/26/39/99/590263999.db2.gz VVECKZBTRMQWJS-ZJUUUORDSA-N 2 0 230.356 -0.635 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000876977874 590264078 /nfs/dbraw/zinc/26/40/78/590264078.db2.gz BKYKYSKZQOEYME-JLIMGVALSA-N 2 0 247.289 -0.168 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000876977875 590263761 /nfs/dbraw/zinc/26/37/61/590263761.db2.gz BKYKYSKZQOEYME-KYXWUPHJSA-N 2 0 247.289 -0.168 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000876977876 590264006 /nfs/dbraw/zinc/26/40/06/590264006.db2.gz BKYKYSKZQOEYME-SGIHWFKDSA-N 2 0 247.289 -0.168 20 0 BBADRP [NH3+][C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000876977877 590264053 /nfs/dbraw/zinc/26/40/53/590264053.db2.gz BKYKYSKZQOEYME-ZYUZMQFOSA-N 2 0 247.289 -0.168 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876978025 590263950 /nfs/dbraw/zinc/26/39/50/590263950.db2.gz JRIGSONTTDPBMS-CIUDSAMLSA-N 2 0 217.288 -0.342 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876978026 590263993 /nfs/dbraw/zinc/26/39/93/590263993.db2.gz JRIGSONTTDPBMS-DJLDLDEBSA-N 2 0 217.288 -0.342 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876978027 590263914 /nfs/dbraw/zinc/26/39/14/590263914.db2.gz JRIGSONTTDPBMS-XHNCKOQMSA-N 2 0 217.288 -0.342 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876978028 590263889 /nfs/dbraw/zinc/26/38/89/590263889.db2.gz JRIGSONTTDPBMS-YIZRAAEISA-N 2 0 217.288 -0.342 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876978159 590264117 /nfs/dbraw/zinc/26/41/17/590264117.db2.gz KHETVWHPTGBXDY-ACZMJKKPSA-N 2 0 221.251 -0.450 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876978160 590263874 /nfs/dbraw/zinc/26/38/74/590263874.db2.gz KHETVWHPTGBXDY-VQVTYTSYSA-N 2 0 221.251 -0.450 20 0 BBADRP C[C@]1(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000876980010 590264343 /nfs/dbraw/zinc/26/43/43/590264343.db2.gz CNCYIDCDOZITDI-KKZNHRDASA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@]1(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000876980011 590264468 /nfs/dbraw/zinc/26/44/68/590264468.db2.gz CNCYIDCDOZITDI-NGZCFLSTSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@]1(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000876980012 590264411 /nfs/dbraw/zinc/26/44/11/590264411.db2.gz CNCYIDCDOZITDI-QXEWZRGKSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@]1(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000876980013 590264340 /nfs/dbraw/zinc/26/43/40/590264340.db2.gz CNCYIDCDOZITDI-YWVKMMECSA-N 2 0 229.299 -0.198 20 0 BBADRP C[C@@]1(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]C1 ZINC000876981871 590264633 /nfs/dbraw/zinc/26/46/33/590264633.db2.gz YVUMXJDTWRTWNE-ACLDMZEESA-N 2 0 233.262 -0.305 20 0 BBADRP C[C@]1(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]C1 ZINC000876981872 590264634 /nfs/dbraw/zinc/26/46/34/590264634.db2.gz YVUMXJDTWRTWNE-ZKWXMUAHSA-N 2 0 233.262 -0.305 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000876985774 590265378 /nfs/dbraw/zinc/26/53/78/590265378.db2.gz UEEFCBWHMFWMRI-JBLDHEPKSA-N 2 0 240.351 -0.785 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000876985775 590265215 /nfs/dbraw/zinc/26/52/15/590265215.db2.gz UEEFCBWHMFWMRI-JFGNBEQYSA-N 2 0 240.351 -0.785 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000876985777 590265369 /nfs/dbraw/zinc/26/53/69/590265369.db2.gz UEEFCBWHMFWMRI-NHCYSSNCSA-N 2 0 240.351 -0.785 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000876985779 590265140 /nfs/dbraw/zinc/26/51/40/590265140.db2.gz UEEFCBWHMFWMRI-SCVCMEIPSA-N 2 0 240.351 -0.785 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876997704 590267054 /nfs/dbraw/zinc/26/70/54/590267054.db2.gz DYBQYSDFYBPYQN-QWRGUYRKSA-N 2 0 242.367 -0.668 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876997705 590267124 /nfs/dbraw/zinc/26/71/24/590267124.db2.gz DYBQYSDFYBPYQN-WDEREUQCSA-N 2 0 242.367 -0.668 20 0 BBADRP CC[NH2+]CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877001573 590267602 /nfs/dbraw/zinc/26/76/02/590267602.db2.gz FXRSTDJOODDCQO-SECBINFHSA-N 2 0 211.309 -0.003 20 0 BBADRP CC[NH2+]CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877001574 590267575 /nfs/dbraw/zinc/26/75/75/590267575.db2.gz FXRSTDJOODDCQO-VIFPVBQESA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877005271 590268004 /nfs/dbraw/zinc/26/80/04/590268004.db2.gz QQMVFJAXGRPWKT-UWVGGRQHSA-N 2 0 240.351 -0.724 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877005272 590268079 /nfs/dbraw/zinc/26/80/79/590268079.db2.gz QQMVFJAXGRPWKT-VHSXEESVSA-N 2 0 240.351 -0.724 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877005414 590267872 /nfs/dbraw/zinc/26/78/72/590267872.db2.gz FLXKYEJGADOVSG-BQBZGAKWSA-N 2 0 221.251 -0.366 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877005887 590265405 /nfs/dbraw/zinc/26/54/05/590265405.db2.gz NFSMMWAXTVOOJH-BDAKNGLRSA-N 2 0 217.288 -0.259 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877005889 590264968 /nfs/dbraw/zinc/26/49/68/590264968.db2.gz NFSMMWAXTVOOJH-DTWKUNHWSA-N 2 0 217.288 -0.259 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877005892 590265360 /nfs/dbraw/zinc/26/53/60/590265360.db2.gz NFSMMWAXTVOOJH-IUCAKERBSA-N 2 0 217.288 -0.259 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877005894 590265345 /nfs/dbraw/zinc/26/53/45/590265345.db2.gz NFSMMWAXTVOOJH-RKDXNWHRSA-N 2 0 217.288 -0.259 20 0 BBADRP CCN(CC[NH3+])C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877008692 590268777 /nfs/dbraw/zinc/26/87/77/590268777.db2.gz WHYNNTLPROKWGD-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CCN(CC[NH3+])C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877008693 590268897 /nfs/dbraw/zinc/26/88/97/590268897.db2.gz WHYNNTLPROKWGD-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877008783 590268860 /nfs/dbraw/zinc/26/88/60/590268860.db2.gz YAPSHWPEWXBILR-SECBINFHSA-N 2 0 203.261 -0.505 20 0 BBADRP CCN(CC[NH3+])C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877008793 590268901 /nfs/dbraw/zinc/26/89/01/590268901.db2.gz YAPSHWPEWXBILR-VIFPVBQESA-N 2 0 203.261 -0.505 20 0 BBADRP [NH3+]C1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCOCC1 ZINC000877012942 590268946 /nfs/dbraw/zinc/26/89/46/590268946.db2.gz HDAIIUQCMHSEIP-LLVKDONJSA-N 2 0 245.298 -0.688 20 0 BBADRP [NH3+]C1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCOCC1 ZINC000877012943 590268737 /nfs/dbraw/zinc/26/87/37/590268737.db2.gz HDAIIUQCMHSEIP-NSHDSACASA-N 2 0 245.298 -0.688 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877021399 590269610 /nfs/dbraw/zinc/26/96/10/590269610.db2.gz TVLBZAKONQLJOK-IQJOONFLSA-N 2 0 229.299 -0.055 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000877021402 590269906 /nfs/dbraw/zinc/26/99/06/590269906.db2.gz TVLBZAKONQLJOK-NGZCFLSTSA-N 2 0 229.299 -0.055 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877023029 590270534 /nfs/dbraw/zinc/27/05/34/590270534.db2.gz BDDWHIUBVDCJSQ-HRDYMLBCSA-N 2 0 240.307 -0.653 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877023030 590270298 /nfs/dbraw/zinc/27/02/98/590270298.db2.gz BDDWHIUBVDCJSQ-XHNCKOQMSA-N 2 0 240.307 -0.653 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000877023242 590270693 /nfs/dbraw/zinc/27/06/93/590270693.db2.gz JZESJGKCKBJGHT-LPEHRKFASA-N 2 0 228.340 -0.868 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877023785 590270689 /nfs/dbraw/zinc/27/06/89/590270689.db2.gz FGFNGYMEQVEYPT-NXEZZACHSA-N 2 0 243.351 -0.288 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877023786 590270576 /nfs/dbraw/zinc/27/05/76/590270576.db2.gz FGFNGYMEQVEYPT-UWVGGRQHSA-N 2 0 243.351 -0.288 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877023787 590270506 /nfs/dbraw/zinc/27/05/06/590270506.db2.gz FGFNGYMEQVEYPT-VHSXEESVSA-N 2 0 243.351 -0.288 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877023788 590270625 /nfs/dbraw/zinc/27/06/25/590270625.db2.gz FGFNGYMEQVEYPT-ZJUUUORDSA-N 2 0 243.351 -0.288 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877023946 590270596 /nfs/dbraw/zinc/27/05/96/590270596.db2.gz KWJYEAPGHVKHBJ-PHIMTYICSA-N 2 0 243.351 -0.144 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877023947 590270282 /nfs/dbraw/zinc/27/02/82/590270282.db2.gz KWJYEAPGHVKHBJ-XYPYZODXSA-N 2 0 243.351 -0.144 20 0 BBADRP C[NH2+]CCOCCNC(=O)C=C1CC[NH2+]CC1 ZINC000877024275 590270300 /nfs/dbraw/zinc/27/03/00/590270300.db2.gz XMMVLXJWRURRKQ-UHFFFAOYSA-N 2 0 241.335 -0.352 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000877024560 590270776 /nfs/dbraw/zinc/27/07/76/590270776.db2.gz HWXODDXFHINPIS-JTQLQIEISA-N 2 0 233.287 -0.960 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877024561 590270965 /nfs/dbraw/zinc/27/09/65/590270965.db2.gz HWXODDXFHINPIS-SNVBAGLBSA-N 2 0 233.287 -0.960 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000877025520 590270931 /nfs/dbraw/zinc/27/09/31/590270931.db2.gz NFVHCRBZRXZKSA-JTQLQIEISA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]CCOCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000877025521 590271021 /nfs/dbraw/zinc/27/10/21/590271021.db2.gz NFVHCRBZRXZKSA-SNVBAGLBSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000877025725 590270998 /nfs/dbraw/zinc/27/09/98/590270998.db2.gz TZLGWYSSGFTYQG-SECBINFHSA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000877025726 590271063 /nfs/dbraw/zinc/27/10/63/590271063.db2.gz TZLGWYSSGFTYQG-VIFPVBQESA-N 2 0 229.324 -0.521 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877026558 590271200 /nfs/dbraw/zinc/27/12/00/590271200.db2.gz BZMRCIUKSVGPQL-LLVKDONJSA-N 2 0 247.314 -0.618 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877026560 590271162 /nfs/dbraw/zinc/27/11/62/590271162.db2.gz BZMRCIUKSVGPQL-NSHDSACASA-N 2 0 247.314 -0.618 20 0 BBADRP CC[NH2+]CC(=O)N(C)CCOCC[NH2+]C ZINC000877027686 590271650 /nfs/dbraw/zinc/27/16/50/590271650.db2.gz RADGLWWELBBQMY-UHFFFAOYSA-N 2 0 217.313 -0.710 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000877028608 590271408 /nfs/dbraw/zinc/27/14/08/590271408.db2.gz AWWAAGGOEJEMQA-JTQLQIEISA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000877028609 590271729 /nfs/dbraw/zinc/27/17/29/590271729.db2.gz AWWAAGGOEJEMQA-SNVBAGLBSA-N 2 0 243.351 -0.179 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000877029025 590271375 /nfs/dbraw/zinc/27/13/75/590271375.db2.gz OCKHSYDEYJMVOB-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000877029026 590271575 /nfs/dbraw/zinc/27/15/75/590271575.db2.gz OCKHSYDEYJMVOB-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000877038084 590272621 /nfs/dbraw/zinc/27/26/21/590272621.db2.gz HGODGAOBSQUWFO-IVZWLZJFSA-N 2 0 241.335 -0.536 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877038085 590272476 /nfs/dbraw/zinc/27/24/76/590272476.db2.gz HGODGAOBSQUWFO-KXUCPTDWSA-N 2 0 241.335 -0.536 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000877038086 590272565 /nfs/dbraw/zinc/27/25/65/590272565.db2.gz HGODGAOBSQUWFO-LPEHRKFASA-N 2 0 241.335 -0.536 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877038087 590272725 /nfs/dbraw/zinc/27/27/25/590272725.db2.gz HGODGAOBSQUWFO-OPRDCNLKSA-N 2 0 241.335 -0.536 20 0 BBADRP O=C(CC[NH2+]CC1CC1)NC[C@@H]1COCC[NH2+]1 ZINC000877038307 590272850 /nfs/dbraw/zinc/27/28/50/590272850.db2.gz LQWMISYJHITCOZ-LLVKDONJSA-N 2 0 241.335 -0.519 20 0 BBADRP O=C(CC[NH2+]CC1CC1)NC[C@H]1COCC[NH2+]1 ZINC000877038308 590272672 /nfs/dbraw/zinc/27/26/72/590272672.db2.gz LQWMISYJHITCOZ-NSHDSACASA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CCCCCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000877040192 590273635 /nfs/dbraw/zinc/27/36/35/590273635.db2.gz VFFAYYXTOLRUNA-JTQLQIEISA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+]CCCCCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877040201 590273347 /nfs/dbraw/zinc/27/33/47/590273347.db2.gz VFFAYYXTOLRUNA-SNVBAGLBSA-N 2 0 229.324 -0.390 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000877040460 590273150 /nfs/dbraw/zinc/27/31/50/590273150.db2.gz XIECWBXLTMGWFQ-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000877040461 590273591 /nfs/dbraw/zinc/27/35/91/590273591.db2.gz XIECWBXLTMGWFQ-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H](CC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000877040463 590273566 /nfs/dbraw/zinc/27/35/66/590273566.db2.gz XIECWBXLTMGWFQ-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000877040464 590273276 /nfs/dbraw/zinc/27/32/76/590273276.db2.gz XIECWBXLTMGWFQ-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+]Cc1cccc(C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000877040934 590273726 /nfs/dbraw/zinc/27/37/26/590273726.db2.gz ZZSLOEQVIGXCLW-GFCCVEGCSA-N 2 0 249.314 -0.137 20 0 BBADRP [NH3+]Cc1cccc(C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000877040949 590273268 /nfs/dbraw/zinc/27/32/68/590273268.db2.gz ZZSLOEQVIGXCLW-LBPRGKRZSA-N 2 0 249.314 -0.137 20 0 BBADRP [NH3+]CC1(NC(=O)[C@@]2(F)CC[NH2+]C2)CCOCC1 ZINC000877046702 590274187 /nfs/dbraw/zinc/27/41/87/590274187.db2.gz RCEKRADEBGSLJU-LLVKDONJSA-N 2 0 245.298 -0.688 20 0 BBADRP [NH3+]CC1(NC(=O)[C@]2(F)CC[NH2+]C2)CCOCC1 ZINC000877046703 590273881 /nfs/dbraw/zinc/27/38/81/590273881.db2.gz RCEKRADEBGSLJU-NSHDSACASA-N 2 0 245.298 -0.688 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000877047501 590274434 /nfs/dbraw/zinc/27/44/34/590274434.db2.gz BJXFYLBMQDJIAX-JTQLQIEISA-N 2 0 233.287 -0.830 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877047502 590274442 /nfs/dbraw/zinc/27/44/42/590274442.db2.gz BJXFYLBMQDJIAX-SNVBAGLBSA-N 2 0 233.287 -0.830 20 0 BBADRP CC[NH2+]CC(=O)NCCOCCC[NH3+] ZINC000877047869 590274450 /nfs/dbraw/zinc/27/44/50/590274450.db2.gz GBDSNBLGBPFQQJ-UHFFFAOYSA-N 2 0 203.286 -0.923 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C[NH2+]1 ZINC000877048773 645788525 /nfs/dbraw/zinc/78/85/25/645788525.db2.gz OKGOVLJMZPGVLD-FXPVBKGRSA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C[NH2+]1 ZINC000877048775 645789029 /nfs/dbraw/zinc/78/90/29/645789029.db2.gz OKGOVLJMZPGVLD-KKZNHRDASA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C[NH2+]1 ZINC000877048777 584888916 /nfs/dbraw/zinc/88/89/16/584888916.db2.gz OKGOVLJMZPGVLD-WCABBAIRSA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C[NH2+]1 ZINC000877048780 584888872 /nfs/dbraw/zinc/88/88/72/584888872.db2.gz OKGOVLJMZPGVLD-YWVKMMECSA-N 2 0 229.299 -0.055 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C[NH2+]1 ZINC000877048793 645788381 /nfs/dbraw/zinc/78/83/81/645788381.db2.gz AEDAAKBWULWCDC-HLTSFMKQSA-N 2 0 240.307 -0.653 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C[NH2+]1 ZINC000877048795 645788798 /nfs/dbraw/zinc/78/87/98/645788798.db2.gz AEDAAKBWULWCDC-HRDYMLBCSA-N 2 0 240.307 -0.653 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C[NH2+]1 ZINC000877048796 645789049 /nfs/dbraw/zinc/78/90/49/645789049.db2.gz AEDAAKBWULWCDC-IWSPIJDZSA-N 2 0 240.307 -0.653 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C[NH2+]1 ZINC000877048798 645788788 /nfs/dbraw/zinc/78/87/88/645788788.db2.gz AEDAAKBWULWCDC-VGMNWLOBSA-N 2 0 240.307 -0.653 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C[NH2+]1 ZINC000877052172 590274618 /nfs/dbraw/zinc/27/46/18/590274618.db2.gz PSDTUWZGQNIFRW-AEJSXWLSSA-N 2 0 228.340 -0.868 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C[NH2+]1 ZINC000877052173 590274584 /nfs/dbraw/zinc/27/45/84/590274584.db2.gz PSDTUWZGQNIFRW-BBBLOLIVSA-N 2 0 228.340 -0.868 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C[NH2+]1 ZINC000877052174 590274571 /nfs/dbraw/zinc/27/45/71/590274571.db2.gz PSDTUWZGQNIFRW-GUBZILKMSA-N 2 0 228.340 -0.868 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C[NH2+]1 ZINC000877052175 590274614 /nfs/dbraw/zinc/27/46/14/590274614.db2.gz PSDTUWZGQNIFRW-UTLUCORTSA-N 2 0 228.340 -0.868 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000877053172 590275113 /nfs/dbraw/zinc/27/51/13/590275113.db2.gz FQPZFSGUEPLWHG-NXEZZACHSA-N 2 0 243.351 -0.159 20 0 BBADRP CC1(C)[C@H](C(=O)NCCOCCC[NH3+])C[C@@H]1[NH3+] ZINC000877053173 590275169 /nfs/dbraw/zinc/27/51/69/590275169.db2.gz FQPZFSGUEPLWHG-UWVGGRQHSA-N 2 0 243.351 -0.159 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCOCCC[NH3+] ZINC000877053174 590275482 /nfs/dbraw/zinc/27/54/82/590275482.db2.gz FQPZFSGUEPLWHG-VHSXEESVSA-N 2 0 243.351 -0.159 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000877053175 590275319 /nfs/dbraw/zinc/27/53/19/590275319.db2.gz FQPZFSGUEPLWHG-ZJUUUORDSA-N 2 0 243.351 -0.159 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877053316 590275088 /nfs/dbraw/zinc/27/50/88/590275088.db2.gz KGBKHMWQKWADTB-PHIMTYICSA-N 2 0 243.351 -0.015 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877053317 590275107 /nfs/dbraw/zinc/27/51/07/590275107.db2.gz KGBKHMWQKWADTB-XYPYZODXSA-N 2 0 243.351 -0.015 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCOCCC[NH3+] ZINC000877054303 590275121 /nfs/dbraw/zinc/27/51/21/590275121.db2.gz CMTDFGLYEQCNMU-SECBINFHSA-N 2 0 229.324 -0.392 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)NCCOCCC[NH3+] ZINC000877054304 590275289 /nfs/dbraw/zinc/27/52/89/590275289.db2.gz CMTDFGLYEQCNMU-VIFPVBQESA-N 2 0 229.324 -0.392 20 0 BBADRP [NH3+]CCCOCCNC(=O)C=C1CC[NH2+]CC1 ZINC000877054614 590275099 /nfs/dbraw/zinc/27/50/99/590275099.db2.gz GFHUXMYOLQNIGK-UHFFFAOYSA-N 2 0 241.335 -0.222 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877054804 590275423 /nfs/dbraw/zinc/27/54/23/590275423.db2.gz LOTOAFWAMVDXNS-NXEZZACHSA-N 2 0 243.351 -0.207 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877054827 590275161 /nfs/dbraw/zinc/27/51/61/590275161.db2.gz LOTOAFWAMVDXNS-UWVGGRQHSA-N 2 0 243.351 -0.207 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877054828 590275434 /nfs/dbraw/zinc/27/54/34/590275434.db2.gz LOTOAFWAMVDXNS-VHSXEESVSA-N 2 0 243.351 -0.207 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877054830 590275109 /nfs/dbraw/zinc/27/51/09/590275109.db2.gz LOTOAFWAMVDXNS-ZJUUUORDSA-N 2 0 243.351 -0.207 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877054886 590275089 /nfs/dbraw/zinc/27/50/89/590275089.db2.gz NLPAPOMRBLAZNI-PHIMTYICSA-N 2 0 243.351 -0.062 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CC[NH2+]CC1CC1 ZINC000877055331 590275307 /nfs/dbraw/zinc/27/53/07/590275307.db2.gz BPYZZUAHITVRLM-UHFFFAOYSA-N 2 0 243.351 -0.190 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C=C1CC[NH2+]CC1 ZINC000877055634 590275824 /nfs/dbraw/zinc/27/58/24/590275824.db2.gz DFZXLUBRXUVRLA-UHFFFAOYSA-N 2 0 241.335 -0.270 20 0 BBADRP [NH3+]CCCOCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000877056167 590275521 /nfs/dbraw/zinc/27/55/21/590275521.db2.gz PHSOSRQTYQABIH-JTQLQIEISA-N 2 0 229.324 -0.405 20 0 BBADRP [NH3+]CCCOCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000877056168 590275762 /nfs/dbraw/zinc/27/57/62/590275762.db2.gz PHSOSRQTYQABIH-SNVBAGLBSA-N 2 0 229.324 -0.405 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877056708 590275768 /nfs/dbraw/zinc/27/57/68/590275768.db2.gz NLPAPOMRBLAZNI-XYPYZODXSA-N 2 0 243.351 -0.062 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C[C@H]([NH3+])C1CC1 ZINC000877057562 590275871 /nfs/dbraw/zinc/27/58/71/590275871.db2.gz IMXHKUNFORYSFM-JTQLQIEISA-N 2 0 229.324 -0.453 20 0 BBADRP CN(CCOCC[NH3+])C(=O)C[C@@H]([NH3+])C1CC1 ZINC000877057563 590275507 /nfs/dbraw/zinc/27/55/07/590275507.db2.gz IMXHKUNFORYSFM-SNVBAGLBSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CCOCC[NH3+] ZINC000877057707 590275747 /nfs/dbraw/zinc/27/57/47/590275747.db2.gz LXHZJSPLSJYDJR-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)CCOCC[NH3+] ZINC000877057708 590275736 /nfs/dbraw/zinc/27/57/36/590275736.db2.gz LXHZJSPLSJYDJR-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP CN(CCOCC[NH3+])C(=O)CCCCC[NH3+] ZINC000877058278 590275689 /nfs/dbraw/zinc/27/56/89/590275689.db2.gz XCLRWMUFMBLGNN-UHFFFAOYSA-N 2 0 231.340 -0.061 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877060264 590276228 /nfs/dbraw/zinc/27/62/28/590276228.db2.gz WEWQRALBGSDWPH-JTQLQIEISA-N 2 0 233.287 -0.878 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877060265 590276039 /nfs/dbraw/zinc/27/60/39/590276039.db2.gz WEWQRALBGSDWPH-SNVBAGLBSA-N 2 0 233.287 -0.878 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877094756 590281886 /nfs/dbraw/zinc/28/18/86/590281886.db2.gz DXYBTUOUQJFFPC-APPZFPTMSA-N 2 0 203.261 -0.506 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877094757 590281978 /nfs/dbraw/zinc/28/19/78/590281978.db2.gz DXYBTUOUQJFFPC-CBAPKCEASA-N 2 0 203.261 -0.506 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877094758 590282158 /nfs/dbraw/zinc/28/21/58/590282158.db2.gz DXYBTUOUQJFFPC-IONNQARKSA-N 2 0 203.261 -0.506 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877094759 590282141 /nfs/dbraw/zinc/28/21/41/590282141.db2.gz DXYBTUOUQJFFPC-VXNVDRBHSA-N 2 0 203.261 -0.506 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000877094978 590282164 /nfs/dbraw/zinc/28/21/64/590282164.db2.gz GEGHDRWCJYHXOH-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000877094979 590281876 /nfs/dbraw/zinc/28/18/76/590281876.db2.gz GEGHDRWCJYHXOH-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000877094980 590282149 /nfs/dbraw/zinc/28/21/49/590282149.db2.gz GEGHDRWCJYHXOH-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000877094982 590281937 /nfs/dbraw/zinc/28/19/37/590281937.db2.gz GEGHDRWCJYHXOH-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095259 590281863 /nfs/dbraw/zinc/28/18/63/590281863.db2.gz JPUUJMOZDGSJKW-HTQZYQBOSA-N 2 0 219.354 -0.128 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877095262 590282056 /nfs/dbraw/zinc/28/20/56/590282056.db2.gz JPUUJMOZDGSJKW-JGVFFNPUSA-N 2 0 219.354 -0.128 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095264 590281752 /nfs/dbraw/zinc/28/17/52/590281752.db2.gz JPUUJMOZDGSJKW-SFYZADRCSA-N 2 0 219.354 -0.128 20 0 BBADRP CSCC[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877095265 590282039 /nfs/dbraw/zinc/28/20/39/590282039.db2.gz JPUUJMOZDGSJKW-YUMQZZPRSA-N 2 0 219.354 -0.128 20 0 BBADRP COC1(C(=O)N(C)C[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000877095326 590281791 /nfs/dbraw/zinc/28/17/91/590281791.db2.gz KLSUWLHADXBFOU-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP COC1(C(=O)N(C)C[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000877095327 590281709 /nfs/dbraw/zinc/28/17/09/590281709.db2.gz KLSUWLHADXBFOU-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877095337 590282062 /nfs/dbraw/zinc/28/20/62/590282062.db2.gz KUZHSDFSUUXPJR-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877095339 590281816 /nfs/dbraw/zinc/28/18/16/590281816.db2.gz KUZHSDFSUUXPJR-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877095341 590281936 /nfs/dbraw/zinc/28/19/36/590281936.db2.gz KUZHSDFSUUXPJR-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877095343 590282154 /nfs/dbraw/zinc/28/21/54/590282154.db2.gz KUZHSDFSUUXPJR-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[NH2+]CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095830 590281909 /nfs/dbraw/zinc/28/19/09/590281909.db2.gz SKBVTPHXSSGEEQ-MRVPVSSYSA-N 2 0 203.286 -0.972 20 0 BBADRP COCC[NH2+]CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877095838 590282080 /nfs/dbraw/zinc/28/20/80/590282080.db2.gz SKBVTPHXSSGEEQ-QMMMGPOBSA-N 2 0 203.286 -0.972 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000877095976 590281736 /nfs/dbraw/zinc/28/17/36/590281736.db2.gz WRCWCDDHVHBUNE-NXEZZACHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000877095978 590282113 /nfs/dbraw/zinc/28/21/13/590282113.db2.gz WRCWCDDHVHBUNE-UWVGGRQHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000877095979 590281974 /nfs/dbraw/zinc/28/19/74/590281974.db2.gz WRCWCDDHVHBUNE-VHSXEESVSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000877095981 590282173 /nfs/dbraw/zinc/28/21/73/590282173.db2.gz WRCWCDDHVHBUNE-ZJUUUORDSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000877102189 590280108 /nfs/dbraw/zinc/28/01/08/590280108.db2.gz BFNORRQEXKICLL-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000877102190 590279955 /nfs/dbraw/zinc/27/99/55/590279955.db2.gz BFNORRQEXKICLL-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000877102191 590279894 /nfs/dbraw/zinc/27/98/94/590279894.db2.gz BFNORRQEXKICLL-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000877102192 590280027 /nfs/dbraw/zinc/28/00/27/590280027.db2.gz BFNORRQEXKICLL-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)c1c[nH+]ccc1N ZINC000877102415 584889915 /nfs/dbraw/zinc/88/99/15/584889915.db2.gz HQLIBTBYPGZSCO-SSDOTTSWSA-N 2 0 208.265 -0.087 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)c1c[nH+]ccc1N ZINC000877102416 584890037 /nfs/dbraw/zinc/89/00/37/584890037.db2.gz HQLIBTBYPGZSCO-ZETCQYMHSA-N 2 0 208.265 -0.087 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000877102686 590283668 /nfs/dbraw/zinc/28/36/68/590283668.db2.gz LJPGDBUIXMIDJF-ATZCPNFKSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000877102687 640748721 /nfs/dbraw/zinc/74/87/21/640748721.db2.gz LJPGDBUIXMIDJF-IQJOONFLSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000877102688 640747371 /nfs/dbraw/zinc/74/73/71/640747371.db2.gz LJPGDBUIXMIDJF-NGZCFLSTSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000877102689 640748158 /nfs/dbraw/zinc/74/81/58/640748158.db2.gz LJPGDBUIXMIDJF-QXEWZRGKSA-N 2 0 211.309 -0.208 20 0 BBADRP COCC1(C(=O)N(C)C[C@H](C)[NH3+])CC[NH2+]CC1 ZINC000877103063 590283597 /nfs/dbraw/zinc/28/35/97/590283597.db2.gz PPOCYNVWNRRTDS-JTQLQIEISA-N 2 0 243.351 -0.192 20 0 BBADRP COCC1(C(=O)N(C)C[C@@H](C)[NH3+])CC[NH2+]CC1 ZINC000877103064 590283659 /nfs/dbraw/zinc/28/36/59/590283659.db2.gz PPOCYNVWNRRTDS-SNVBAGLBSA-N 2 0 243.351 -0.192 20 0 BBADRP CC[NH+]1CCN(CC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000877103093 590283713 /nfs/dbraw/zinc/28/37/13/590283713.db2.gz QFBQYZJIIFFLRD-LLVKDONJSA-N 2 0 242.367 -0.571 20 0 BBADRP CC[NH+]1CCN(CC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000877103094 590283693 /nfs/dbraw/zinc/28/36/93/590283693.db2.gz QFBQYZJIIFFLRD-NSHDSACASA-N 2 0 242.367 -0.571 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000877103117 590283742 /nfs/dbraw/zinc/28/37/42/590283742.db2.gz QXMZEKFHNLEDKH-BDAKNGLRSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000877103118 590283695 /nfs/dbraw/zinc/28/36/95/590283695.db2.gz QXMZEKFHNLEDKH-DTWKUNHWSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000877103119 590283723 /nfs/dbraw/zinc/28/37/23/590283723.db2.gz QXMZEKFHNLEDKH-IUCAKERBSA-N 2 0 231.365 -0.113 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000877103120 590283748 /nfs/dbraw/zinc/28/37/48/590283748.db2.gz QXMZEKFHNLEDKH-RKDXNWHRSA-N 2 0 231.365 -0.113 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103195 590283555 /nfs/dbraw/zinc/28/35/55/590283555.db2.gz RNDBUGCZORGUPR-HTQZYQBOSA-N 2 0 203.286 -0.844 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103199 590283599 /nfs/dbraw/zinc/28/35/99/590283599.db2.gz RNDBUGCZORGUPR-JGVFFNPUSA-N 2 0 203.286 -0.844 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103201 590283601 /nfs/dbraw/zinc/28/36/01/590283601.db2.gz RNDBUGCZORGUPR-SFYZADRCSA-N 2 0 203.286 -0.844 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103203 590283675 /nfs/dbraw/zinc/28/36/75/590283675.db2.gz RNDBUGCZORGUPR-YUMQZZPRSA-N 2 0 203.286 -0.844 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000877104722 640755855 /nfs/dbraw/zinc/75/58/55/640755855.db2.gz DUQZMUSLMVJJLV-ATZCPNFKSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000877104727 640756220 /nfs/dbraw/zinc/75/62/20/640756220.db2.gz DUQZMUSLMVJJLV-QXEWZRGKSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000877104729 640756816 /nfs/dbraw/zinc/75/68/16/640756816.db2.gz DUQZMUSLMVJJLV-WCABBAIRSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000877104732 640755365 /nfs/dbraw/zinc/75/53/65/640755365.db2.gz DUQZMUSLMVJJLV-YWVKMMECSA-N 2 0 229.324 -0.441 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877105098 640757898 /nfs/dbraw/zinc/75/78/98/640757898.db2.gz MHZVEVHJWSOYCQ-QXEWZRGKSA-N 2 0 227.308 -0.972 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877105099 640758967 /nfs/dbraw/zinc/75/89/67/640758967.db2.gz MHZVEVHJWSOYCQ-YWVKMMECSA-N 2 0 227.308 -0.972 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877105141 590284632 /nfs/dbraw/zinc/28/46/32/590284632.db2.gz HSHCDGCZEKASJV-CIUDSAMLSA-N 2 0 217.288 -0.260 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877105142 590284491 /nfs/dbraw/zinc/28/44/91/590284491.db2.gz HSHCDGCZEKASJV-DJLDLDEBSA-N 2 0 217.288 -0.260 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877105143 640757945 /nfs/dbraw/zinc/75/79/45/640757945.db2.gz HSHCDGCZEKASJV-XHNCKOQMSA-N 2 0 217.288 -0.260 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877105144 640758156 /nfs/dbraw/zinc/75/81/56/640758156.db2.gz HSHCDGCZEKASJV-YIZRAAEISA-N 2 0 217.288 -0.260 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)COC1CC[NH2+]CC1 ZINC000877106176 590284979 /nfs/dbraw/zinc/28/49/79/590284979.db2.gz VOXMZXLFFXMSQP-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)COC1CC[NH2+]CC1 ZINC000877106177 584890208 /nfs/dbraw/zinc/89/02/08/584890208.db2.gz VOXMZXLFFXMSQP-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP COC[C@@]1(C(=O)N(C)C[C@H](C)[NH3+])CC[NH2+]C1 ZINC000877106482 590285249 /nfs/dbraw/zinc/28/52/49/590285249.db2.gz XTLJMHRUNGZYRD-GXSJLCMTSA-N 2 0 229.324 -0.582 20 0 BBADRP COC[C@]1(C(=O)N(C)C[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000877106484 590285217 /nfs/dbraw/zinc/28/52/17/590285217.db2.gz XTLJMHRUNGZYRD-KOLCDFICSA-N 2 0 229.324 -0.582 20 0 BBADRP COC[C@@]1(C(=O)N(C)C[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000877106486 590285325 /nfs/dbraw/zinc/28/53/25/590285325.db2.gz XTLJMHRUNGZYRD-MWLCHTKSSA-N 2 0 229.324 -0.582 20 0 BBADRP COC[C@]1(C(=O)N(C)C[C@H](C)[NH3+])CC[NH2+]C1 ZINC000877106488 590285458 /nfs/dbraw/zinc/28/54/58/590285458.db2.gz XTLJMHRUNGZYRD-ONGXEEELSA-N 2 0 229.324 -0.582 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000877106713 590285426 /nfs/dbraw/zinc/28/54/26/590285426.db2.gz WHSBVTSVBBUFIC-CIUDSAMLSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000877106714 590285349 /nfs/dbraw/zinc/28/53/49/590285349.db2.gz WHSBVTSVBBUFIC-DJLDLDEBSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000877106715 590285471 /nfs/dbraw/zinc/28/54/71/590285471.db2.gz WHSBVTSVBBUFIC-XHNCKOQMSA-N 2 0 215.297 -0.844 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000877106716 590285229 /nfs/dbraw/zinc/28/52/29/590285229.db2.gz WHSBVTSVBBUFIC-YIZRAAEISA-N 2 0 215.297 -0.844 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877106734 590285260 /nfs/dbraw/zinc/28/52/60/590285260.db2.gz WVXWJMDKIYSSGQ-BDAKNGLRSA-N 2 0 217.313 -0.456 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877106735 590285246 /nfs/dbraw/zinc/28/52/46/590285246.db2.gz WVXWJMDKIYSSGQ-IUCAKERBSA-N 2 0 217.313 -0.456 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000877108156 590286530 /nfs/dbraw/zinc/28/65/30/590286530.db2.gz OUCBCKAWMNEHEV-GXSJLCMTSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000877108158 584890388 /nfs/dbraw/zinc/89/03/88/584890388.db2.gz OUCBCKAWMNEHEV-KOLCDFICSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000877108165 584890392 /nfs/dbraw/zinc/89/03/92/584890392.db2.gz OUCBCKAWMNEHEV-MWLCHTKSSA-N 2 0 229.324 -0.453 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000877108177 584890327 /nfs/dbraw/zinc/89/03/27/584890327.db2.gz OUCBCKAWMNEHEV-ONGXEEELSA-N 2 0 229.324 -0.453 20 0 BBADRP COC[C@@]1(C(=O)N(C)C[C@H](C)[NH3+])CCCC[NH2+]1 ZINC000877108403 590286391 /nfs/dbraw/zinc/28/63/91/590286391.db2.gz RKSYJGZBCRVYCT-CMPLNLGQSA-N 2 0 243.351 -0.049 20 0 BBADRP COC[C@]1(C(=O)N(C)C[C@H](C)[NH3+])CCCC[NH2+]1 ZINC000877108404 584890393 /nfs/dbraw/zinc/89/03/93/584890393.db2.gz RKSYJGZBCRVYCT-JQWIXIFHSA-N 2 0 243.351 -0.049 20 0 BBADRP COC[C@]1(C(=O)N(C)C[C@@H](C)[NH3+])CCCC[NH2+]1 ZINC000877108410 584890389 /nfs/dbraw/zinc/89/03/89/584890389.db2.gz RKSYJGZBCRVYCT-PWSUYJOCSA-N 2 0 243.351 -0.049 20 0 BBADRP COC[C@@]1(C(=O)N(C)C[C@@H](C)[NH3+])CCCC[NH2+]1 ZINC000877108417 584890362 /nfs/dbraw/zinc/89/03/62/584890362.db2.gz RKSYJGZBCRVYCT-ZYHUDNBSSA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877108565 590286269 /nfs/dbraw/zinc/28/62/69/590286269.db2.gz SRWQRHYLQZOSJV-ACZMJKKPSA-N 2 0 221.251 -0.368 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877108567 590286427 /nfs/dbraw/zinc/28/64/27/590286427.db2.gz SRWQRHYLQZOSJV-VQVTYTSYSA-N 2 0 221.251 -0.368 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877109072 590281092 /nfs/dbraw/zinc/28/10/92/590281092.db2.gz ZFVCXMDFIHDRDO-PSASIEDQSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]([NH3+])CN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000877109074 590281089 /nfs/dbraw/zinc/28/10/89/590281089.db2.gz ZFVCXMDFIHDRDO-SCZZXKLOSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877109076 590281585 /nfs/dbraw/zinc/28/15/85/590281585.db2.gz ZFVCXMDFIHDRDO-WCBMZHEXSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@H]([NH3+])CN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000877109078 590281355 /nfs/dbraw/zinc/28/13/55/590281355.db2.gz ZFVCXMDFIHDRDO-WPRPVWTQSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000877109179 590286981 /nfs/dbraw/zinc/28/69/81/590286981.db2.gz BMAGMFQDGZFDAU-FXBDTBDDSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000877109180 590286965 /nfs/dbraw/zinc/28/69/65/590286965.db2.gz BMAGMFQDGZFDAU-UJNFCWOMSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877109406 590286850 /nfs/dbraw/zinc/28/68/50/590286850.db2.gz JQTKJTWIIFSHJM-IONNQARKSA-N 2 0 249.318 -0.464 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877109863 590286894 /nfs/dbraw/zinc/28/68/94/590286894.db2.gz SLISRPLXRRPHCH-OYNCUSHFSA-N 2 0 211.309 -0.007 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877109864 590286986 /nfs/dbraw/zinc/28/69/86/590286986.db2.gz SLISRPLXRRPHCH-QXFUBDJGSA-N 2 0 211.309 -0.007 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877109918 590286861 /nfs/dbraw/zinc/28/68/61/590286861.db2.gz UXDFKJXGNXCNSA-AXTSPUMRSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877109919 590286969 /nfs/dbraw/zinc/28/69/69/590286969.db2.gz UXDFKJXGNXCNSA-JLIMGVALSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877109920 590286810 /nfs/dbraw/zinc/28/68/10/590286810.db2.gz UXDFKJXGNXCNSA-QEYWKRMJSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877109921 590286616 /nfs/dbraw/zinc/28/66/16/590286616.db2.gz UXDFKJXGNXCNSA-SGIHWFKDSA-N 2 0 229.299 -0.199 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877112329 590287500 /nfs/dbraw/zinc/28/75/00/590287500.db2.gz PQSPUFQXYIALKO-GARJFASQSA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877112330 590287177 /nfs/dbraw/zinc/28/71/77/590287177.db2.gz PQSPUFQXYIALKO-HBNTYKKESA-N 2 0 241.335 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877112398 590287453 /nfs/dbraw/zinc/28/74/53/590287453.db2.gz RASVLSDQHKFZSV-QXFUBDJGSA-N 2 0 215.272 -0.445 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000877112399 590287385 /nfs/dbraw/zinc/28/73/85/590287385.db2.gz RASVLSDQHKFZSV-XKSSXDPKSA-N 2 0 215.272 -0.445 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877112813 590287404 /nfs/dbraw/zinc/28/74/04/590287404.db2.gz XPDBWPRVZPAICF-HSNKUXOKSA-N 2 0 233.262 -0.307 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000877118204 590288242 /nfs/dbraw/zinc/28/82/42/590288242.db2.gz RKBLLUUHOIAENQ-HLTSFMKQSA-N 2 0 211.309 -0.162 20 0 BBADRP CC1(C)[C@H](C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000877118205 590288419 /nfs/dbraw/zinc/28/84/19/590288419.db2.gz RKBLLUUHOIAENQ-VGMNWLOBSA-N 2 0 211.309 -0.162 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877124760 590289641 /nfs/dbraw/zinc/28/96/41/590289641.db2.gz DAXTXBHTFDUUCQ-MNOVXSKESA-N 2 0 242.367 -0.395 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877124761 590289494 /nfs/dbraw/zinc/28/94/94/590289494.db2.gz DAXTXBHTFDUUCQ-QWRGUYRKSA-N 2 0 242.367 -0.395 20 0 BBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C[NH3+] ZINC000877132551 590291131 /nfs/dbraw/zinc/29/11/31/590291131.db2.gz HBTLEIOUKVVMHW-UHFFFAOYSA-N 2 0 243.351 -0.238 20 0 BBADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C2(O)C[NH2+]C2)cc1 ZINC000877138115 590291187 /nfs/dbraw/zinc/29/11/87/590291187.db2.gz PAONXZVAGRAINE-WDEREUQCSA-N 2 0 247.298 -0.226 20 0 BBADRP CC1(C)CC[C@H](CNC(=O)C2(O)C[NH2+]C2)[NH2+]C1 ZINC000877154888 590293085 /nfs/dbraw/zinc/29/30/85/590293085.db2.gz OWWLZLYAVMJYMR-SECBINFHSA-N 2 0 241.335 -0.785 20 0 BBADRP CC1(C)CC[C@@H](CNC(=O)C2(O)C[NH2+]C2)[NH2+]C1 ZINC000877154889 590293410 /nfs/dbraw/zinc/29/34/10/590293410.db2.gz OWWLZLYAVMJYMR-VIFPVBQESA-N 2 0 241.335 -0.785 20 0 BBADRP CC1(C)CC[C@@H](CNC(=O)COCC[NH3+])[NH2+]C1 ZINC000877157941 590294098 /nfs/dbraw/zinc/29/40/98/590294098.db2.gz MBJIKDGZECHZKW-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP CC1(C)CC[C@H](CNC(=O)COCC[NH3+])[NH2+]C1 ZINC000877157946 590291423 /nfs/dbraw/zinc/29/14/23/590291423.db2.gz MBJIKDGZECHZKW-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877165284 590294780 /nfs/dbraw/zinc/29/47/80/590294780.db2.gz FWQDFQBQZBYFMZ-DCAQKATOSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877165289 590294810 /nfs/dbraw/zinc/29/48/10/590294810.db2.gz FWQDFQBQZBYFMZ-GARJFASQSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)[C@]1(F)CC[NH2+]C1 ZINC000877165330 590295050 /nfs/dbraw/zinc/29/50/50/590295050.db2.gz GJABWVOZSMIFBY-NRPADANISA-N 2 0 213.256 -0.739 20 0 BBADRP O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@]1(F)CC[NH2+]C1 ZINC000877165331 590294903 /nfs/dbraw/zinc/29/49/03/590294903.db2.gz GJABWVOZSMIFBY-OYNCUSHFSA-N 2 0 213.256 -0.739 20 0 BBADRP O=C(C=C1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167515 590295406 /nfs/dbraw/zinc/29/54/06/590295406.db2.gz AOAGHDYPGMDAKC-QWRGUYRKSA-N 2 0 221.304 -0.131 20 0 BBADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167757 590295249 /nfs/dbraw/zinc/29/52/49/590295249.db2.gz IQKNBBAMVGNNPS-HGNGGELXSA-N 2 0 209.293 -0.300 20 0 BBADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167758 590295373 /nfs/dbraw/zinc/29/53/73/590295373.db2.gz IQKNBBAMVGNNPS-JEZHCXPESA-N 2 0 209.293 -0.300 20 0 BBADRP O=C(CC[NH2+]CC1CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168331 590295460 /nfs/dbraw/zinc/29/54/60/590295460.db2.gz KBRZCMWLOGFVNW-QWRGUYRKSA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1(F)F ZINC000877168350 590295229 /nfs/dbraw/zinc/29/52/29/590295229.db2.gz KNRBVCXDKCFOGV-RULNZFCNSA-N 2 0 231.246 -0.601 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168351 590295440 /nfs/dbraw/zinc/29/54/40/590295440.db2.gz KPAZVBZOJBNPGU-AATLWQCWSA-N 2 0 223.320 -0.068 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168352 590295168 /nfs/dbraw/zinc/29/51/68/590295168.db2.gz KPAZVBZOJBNPGU-AXTSPUMRSA-N 2 0 223.320 -0.068 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168353 590295198 /nfs/dbraw/zinc/29/51/98/590295198.db2.gz KPAZVBZOJBNPGU-QEYWKRMJSA-N 2 0 223.320 -0.068 20 0 BBADRP CC1(C)[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@@H]1[NH3+] ZINC000877168354 590295357 /nfs/dbraw/zinc/29/53/57/590295357.db2.gz KPAZVBZOJBNPGU-XKNYDFJKSA-N 2 0 223.320 -0.068 20 0 BBADRP [NH3+][C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000877168460 590295462 /nfs/dbraw/zinc/29/54/62/590295462.db2.gz UZOABRCTUWVJPP-GUBZILKMSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@H](CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000877168461 590295180 /nfs/dbraw/zinc/29/51/80/590295180.db2.gz UZOABRCTUWVJPP-LPEHRKFASA-N 2 0 209.293 -0.314 20 0 BBADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168723 590295999 /nfs/dbraw/zinc/29/59/99/590295999.db2.gz QPVYWPKKIQHPAR-AATLWQCWSA-N 2 0 227.283 -0.493 20 0 BBADRP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168724 584891367 /nfs/dbraw/zinc/89/13/67/584891367.db2.gz QPVYWPKKIQHPAR-KATARQTJSA-N 2 0 227.283 -0.493 20 0 BBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168725 584891326 /nfs/dbraw/zinc/89/13/26/584891326.db2.gz QPVYWPKKIQHPAR-XFWSIPNHSA-N 2 0 227.283 -0.493 20 0 BBADRP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168726 584891337 /nfs/dbraw/zinc/89/13/37/584891337.db2.gz QPVYWPKKIQHPAR-XKNYDFJKSA-N 2 0 227.283 -0.493 20 0 BBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168861 590295856 /nfs/dbraw/zinc/29/58/56/590295856.db2.gz WJUWKZIJRZCDRE-AGGPOTSHSA-N 2 0 235.331 -0.029 20 0 BBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168862 590295762 /nfs/dbraw/zinc/29/57/62/590295762.db2.gz WJUWKZIJRZCDRE-MSKNOANOSA-N 2 0 235.331 -0.029 20 0 BBADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]1(F)CC[NH2+]C1 ZINC000877169059 590295920 /nfs/dbraw/zinc/29/59/20/590295920.db2.gz DZSKDRCQDWBILB-NGZCFLSTSA-N 2 0 227.283 -0.349 20 0 BBADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]1(F)CC[NH2+]C1 ZINC000877169060 590295807 /nfs/dbraw/zinc/29/58/07/590295807.db2.gz DZSKDRCQDWBILB-WCABBAIRSA-N 2 0 227.283 -0.349 20 0 BBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(F)F ZINC000877171832 590296225 /nfs/dbraw/zinc/29/62/25/590296225.db2.gz LPCHZKMIWAQWFE-BZNPZCIMSA-N 2 0 245.273 -0.211 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877172048 584891352 /nfs/dbraw/zinc/89/13/52/584891352.db2.gz NUKITKJPJBFFAJ-BWZBUEFSSA-N 2 0 226.280 -0.962 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877172057 584891265 /nfs/dbraw/zinc/89/12/65/584891265.db2.gz NUKITKJPJBFFAJ-CSMHCCOUSA-N 2 0 226.280 -0.962 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877172060 584891357 /nfs/dbraw/zinc/89/13/57/584891357.db2.gz NUKITKJPJBFFAJ-GJMOJQLCSA-N 2 0 226.280 -0.962 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877172064 584891187 /nfs/dbraw/zinc/89/11/87/584891187.db2.gz NUKITKJPJBFFAJ-PRJMDXOYSA-N 2 0 226.280 -0.962 20 0 BBADRP [NH3+]C[C@H]1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC000877172369 590296213 /nfs/dbraw/zinc/29/62/13/590296213.db2.gz PTDFZEGVLLXWOJ-HRDYMLBCSA-N 2 0 238.291 -0.947 20 0 BBADRP [NH3+]C[C@@H]1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)=NO1 ZINC000877172370 590296416 /nfs/dbraw/zinc/29/64/16/590296416.db2.gz PTDFZEGVLLXWOJ-YIZRAAEISA-N 2 0 238.291 -0.947 20 0 BBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172736 590296462 /nfs/dbraw/zinc/29/64/62/590296462.db2.gz VXOAEBCWNKGIJH-CHWFTXMASA-N 2 0 241.310 -0.103 20 0 BBADRP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172737 590296428 /nfs/dbraw/zinc/29/64/28/590296428.db2.gz VXOAEBCWNKGIJH-MMWGEVLESA-N 2 0 241.310 -0.103 20 0 BBADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172738 590296263 /nfs/dbraw/zinc/29/62/63/590296263.db2.gz VXOAEBCWNKGIJH-UKKRHICBSA-N 2 0 241.310 -0.103 20 0 BBADRP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172739 590296338 /nfs/dbraw/zinc/29/63/38/590296338.db2.gz VXOAEBCWNKGIJH-ZNSHCXBVSA-N 2 0 241.310 -0.103 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877173044 590294134 /nfs/dbraw/zinc/29/41/34/590294134.db2.gz XDQKPANTQNNMEF-KVPKETBZSA-N 2 0 233.262 -0.226 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877173045 590294207 /nfs/dbraw/zinc/29/42/07/590294207.db2.gz XDQKPANTQNNMEF-NGJRWZKOSA-N 2 0 233.262 -0.226 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877173046 590294136 /nfs/dbraw/zinc/29/41/36/590294136.db2.gz XDQKPANTQNNMEF-XAMCCFCMSA-N 2 0 233.262 -0.226 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877173047 590293790 /nfs/dbraw/zinc/29/37/90/590293790.db2.gz XDQKPANTQNNMEF-YWIQKCBGSA-N 2 0 233.262 -0.226 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877173370 590296600 /nfs/dbraw/zinc/29/66/00/590296600.db2.gz DBJNCXNMUNCFOM-GMTAPVOTSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877173371 590296781 /nfs/dbraw/zinc/29/67/81/590296781.db2.gz DBJNCXNMUNCFOM-MXWKQRLJSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877173372 590296835 /nfs/dbraw/zinc/29/68/35/590296835.db2.gz DBJNCXNMUNCFOM-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877173373 590296880 /nfs/dbraw/zinc/29/68/80/590296880.db2.gz DBJNCXNMUNCFOM-VWYCJHECSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877174238 590296864 /nfs/dbraw/zinc/29/68/64/590296864.db2.gz QSPKCXJOGYEWKK-KHQFGBGNSA-N 2 0 215.272 -0.364 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877174239 590296528 /nfs/dbraw/zinc/29/65/28/590296528.db2.gz QSPKCXJOGYEWKK-MRTMQBJTSA-N 2 0 215.272 -0.364 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877174240 590296894 /nfs/dbraw/zinc/29/68/94/590296894.db2.gz QSPKCXJOGYEWKK-NQMVMOMDSA-N 2 0 215.272 -0.364 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877174241 590296873 /nfs/dbraw/zinc/29/68/73/590296873.db2.gz QSPKCXJOGYEWKK-WEDXCCLWSA-N 2 0 215.272 -0.364 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877180192 590298267 /nfs/dbraw/zinc/29/82/67/590298267.db2.gz PYPIOAMTIFJFMS-DCAQKATOSA-N 2 0 242.367 -0.491 20 0 BBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877185031 590298438 /nfs/dbraw/zinc/29/84/38/590298438.db2.gz WVNSMUUVPUVDMY-MBPTXSFVSA-N 2 0 239.319 -0.415 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877185314 590298693 /nfs/dbraw/zinc/29/86/93/590298693.db2.gz KTWVFILYFYXEKA-YZRBJQDESA-N 2 0 240.351 -0.642 20 0 BBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1C[NH2+]CCO1 ZINC000877187622 590298595 /nfs/dbraw/zinc/29/85/95/590298595.db2.gz DHCCQKKIJUZXTQ-SQLBVSGCSA-N 2 0 239.319 -0.543 20 0 BBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877187752 590298643 /nfs/dbraw/zinc/29/86/43/590298643.db2.gz GIPQMSQDQOMUNS-OZMAASJLSA-N 2 0 235.331 -0.066 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187919 590299074 /nfs/dbraw/zinc/29/90/74/590299074.db2.gz MGBTUVJLETYDST-SQLBVSGCSA-N 2 0 241.335 -0.168 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187920 583302446 /nfs/dbraw/zinc/30/24/46/583302446.db2.gz MGBTUVJLETYDST-YZRBJQDESA-N 2 0 241.335 -0.168 20 0 BBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CC[NH2+]1 ZINC000877188169 590299113 /nfs/dbraw/zinc/29/91/13/590299113.db2.gz RQARCHVKFLUWQY-INWMGODYSA-N 2 0 209.293 -0.169 20 0 BBADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1C[NH2+]CCO1 ZINC000877191725 590299138 /nfs/dbraw/zinc/29/91/38/590299138.db2.gz DHCCQKKIJUZXTQ-YZRBJQDESA-N 2 0 239.319 -0.543 20 0 BBADRP COCC[NH2+]CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192289 590298890 /nfs/dbraw/zinc/29/88/90/590298890.db2.gz KLRVKUTVWKAARG-UHFFFAOYSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+]CC12CCC(CC1)N2C(=O)C1([NH3+])CC1 ZINC000877192351 590299031 /nfs/dbraw/zinc/29/90/31/590299031.db2.gz MYUHWUXECKTQOY-UHFFFAOYSA-N 2 0 209.293 -0.040 20 0 BBADRP [NH3+]CCOCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192868 590299147 /nfs/dbraw/zinc/29/91/47/590299147.db2.gz RXCHZVNQQHKXRO-UHFFFAOYSA-N 2 0 227.308 -0.556 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205359 590301172 /nfs/dbraw/zinc/30/11/72/590301172.db2.gz FUEHZMLZPFHOCF-JTQLQIEISA-N 2 0 242.367 -0.347 20 0 BBADRP C[N@@H+]1CCN(C(=O)C2(O)C[NH2+]C2)CCC1(C)C ZINC000877206774 590301097 /nfs/dbraw/zinc/30/10/97/590301097.db2.gz PGWKUTDCJYWRCL-UHFFFAOYSA-N 2 0 241.335 -0.737 20 0 BBADRP COc1ccc([C@@H]2CN(C(=O)C[NH3+])C[C@H]2[NH3+])cc1 ZINC000877235192 590301873 /nfs/dbraw/zinc/30/18/73/590301873.db2.gz ABOFFMWFSWZSPJ-NWDGAFQWSA-N 2 0 249.314 -0.093 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000877240803 590302416 /nfs/dbraw/zinc/30/24/16/590302416.db2.gz DZSZRRGEFAVVFD-NGZCFLSTSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000877242897 590302907 /nfs/dbraw/zinc/30/29/07/590302907.db2.gz DZSZRRGEFAVVFD-QXEWZRGKSA-N 2 0 211.309 -0.018 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877243030 590302671 /nfs/dbraw/zinc/30/26/71/590302671.db2.gz KVWYZWWLKNXSAN-OCAPTIKFSA-N 2 0 220.276 -0.039 20 0 BBADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243420 590302609 /nfs/dbraw/zinc/30/26/09/590302609.db2.gz KVWYZWWLKNXSAN-ZKCHVHJHSA-N 2 0 220.276 -0.039 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000877244462 590301808 /nfs/dbraw/zinc/30/18/08/590301808.db2.gz CXXPMAHHLQUJFO-KXUCPTDWSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000877245151 590303046 /nfs/dbraw/zinc/30/30/46/590303046.db2.gz CXXPMAHHLQUJFO-GUBZILKMSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000877245152 590302943 /nfs/dbraw/zinc/30/29/43/590302943.db2.gz CXXPMAHHLQUJFO-OPRDCNLKSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000877252833 590304449 /nfs/dbraw/zinc/30/44/49/590304449.db2.gz ZDSUUZHXKRBSGU-KOLCDFICSA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC000877253197 590304211 /nfs/dbraw/zinc/30/42/11/590304211.db2.gz NONMXJQDWKCLQZ-YJQGPUDQSA-N 2 0 237.347 -0.044 20 0 BBADRP C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000877254655 590304047 /nfs/dbraw/zinc/30/40/47/590304047.db2.gz ZIRNOHJGRQOHQM-DVVUODLYSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000877254661 590304169 /nfs/dbraw/zinc/30/41/69/590304169.db2.gz ZDSUUZHXKRBSGU-ONGXEEELSA-N 2 0 242.367 -0.620 20 0 BBADRP C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000877254673 590304141 /nfs/dbraw/zinc/30/41/41/590304141.db2.gz ZIRNOHJGRQOHQM-INTQDDNPSA-N 2 0 241.335 -0.393 20 0 BBADRP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC000877255063 590304266 /nfs/dbraw/zinc/30/42/66/590304266.db2.gz NONMXJQDWKCLQZ-OHBODLIOSA-N 2 0 237.347 -0.044 20 0 BBADRP CC[C@H]([NH3+])C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000877267400 590305072 /nfs/dbraw/zinc/30/50/72/590305072.db2.gz UUVTURUQNAVSGV-JTQLQIEISA-N 2 0 243.351 -0.001 20 0 BBADRP COCCC1(NC(=O)C[NH+](C)C)CC[NH2+]CC1 ZINC000877267877 590304871 /nfs/dbraw/zinc/30/48/71/590304871.db2.gz ILGLNQZWONBDSU-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000877268024 590304803 /nfs/dbraw/zinc/30/48/03/590304803.db2.gz OCCYSENNEDRBOH-UHFFFAOYSA-N 2 0 243.351 -0.129 20 0 BBADRP CC[C@@H]([NH3+])C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000877268199 590305097 /nfs/dbraw/zinc/30/50/97/590305097.db2.gz UUVTURUQNAVSGV-SNVBAGLBSA-N 2 0 243.351 -0.001 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272950 590305543 /nfs/dbraw/zinc/30/55/43/590305543.db2.gz LYOUWXBCHCCXRU-AXFHLTTASA-N 2 0 240.351 -0.772 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877272951 590305462 /nfs/dbraw/zinc/30/54/62/590305462.db2.gz LYOUWXBCHCCXRU-DCAQKATOSA-N 2 0 240.351 -0.772 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272952 590305534 /nfs/dbraw/zinc/30/55/34/590305534.db2.gz LYOUWXBCHCCXRU-GARJFASQSA-N 2 0 240.351 -0.772 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877272953 590305714 /nfs/dbraw/zinc/30/57/14/590305714.db2.gz LYOUWXBCHCCXRU-HBNTYKKESA-N 2 0 240.351 -0.772 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877275274 590306095 /nfs/dbraw/zinc/30/60/95/590306095.db2.gz RDEABUWCDBMYME-AEJSXWLSSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877275276 590305777 /nfs/dbraw/zinc/30/57/77/590305777.db2.gz RDEABUWCDBMYME-GUBZILKMSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877275277 590305977 /nfs/dbraw/zinc/30/59/77/590305977.db2.gz RDEABUWCDBMYME-IVZWLZJFSA-N 2 0 211.309 -0.053 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877275279 590305795 /nfs/dbraw/zinc/30/57/95/590305795.db2.gz RDEABUWCDBMYME-LPEHRKFASA-N 2 0 211.309 -0.053 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280964 590306548 /nfs/dbraw/zinc/30/65/48/590306548.db2.gz FULQXBVYUBVPCX-GARJFASQSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280969 590306265 /nfs/dbraw/zinc/30/62/65/590306265.db2.gz FULQXBVYUBVPCX-GMTAPVOTSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280971 590306349 /nfs/dbraw/zinc/30/63/49/590306349.db2.gz FULQXBVYUBVPCX-HBNTYKKESA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280973 590306508 /nfs/dbraw/zinc/30/65/08/590306508.db2.gz FULQXBVYUBVPCX-OUAUKWLOSA-N 2 0 239.319 -0.672 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281803 590306521 /nfs/dbraw/zinc/30/65/21/590306521.db2.gz JBNHLBHPCKQXHC-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877281804 590306483 /nfs/dbraw/zinc/30/64/83/590306483.db2.gz JBNHLBHPCKQXHC-DCAQKATOSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877281805 590306510 /nfs/dbraw/zinc/30/65/10/590306510.db2.gz JBNHLBHPCKQXHC-GARJFASQSA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877281806 590306511 /nfs/dbraw/zinc/30/65/11/590306511.db2.gz JBNHLBHPCKQXHC-HBNTYKKESA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]CCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877282459 590306933 /nfs/dbraw/zinc/30/69/33/590306933.db2.gz MCDKXWMAWBMHHO-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282460 590306580 /nfs/dbraw/zinc/30/65/80/590306580.db2.gz MCDKXWMAWBMHHO-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282461 590306590 /nfs/dbraw/zinc/30/65/90/590306590.db2.gz MCDKXWMAWBMHHO-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]CCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877282462 590306861 /nfs/dbraw/zinc/30/68/61/590306861.db2.gz MCDKXWMAWBMHHO-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284029 590307000 /nfs/dbraw/zinc/30/70/00/590307000.db2.gz RRTUTSVLXGIEDQ-KZZRWZIVSA-N 2 0 235.331 -0.195 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284030 590306855 /nfs/dbraw/zinc/30/68/55/590306855.db2.gz RRTUTSVLXGIEDQ-LVEVGFFFSA-N 2 0 235.331 -0.195 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284031 590306734 /nfs/dbraw/zinc/30/67/34/590306734.db2.gz RRTUTSVLXGIEDQ-RNWYCLNJSA-N 2 0 235.331 -0.195 20 0 BBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284032 590306886 /nfs/dbraw/zinc/30/68/86/590306886.db2.gz RRTUTSVLXGIEDQ-ROHXPCBUSA-N 2 0 235.331 -0.195 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284485 590306813 /nfs/dbraw/zinc/30/68/13/590306813.db2.gz UCNZPVWTFRCYPR-AEJSXWLSSA-N 2 0 209.293 -0.299 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284486 590306776 /nfs/dbraw/zinc/30/67/76/590306776.db2.gz UCNZPVWTFRCYPR-BBBLOLIVSA-N 2 0 209.293 -0.299 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284487 590306906 /nfs/dbraw/zinc/30/69/06/590306906.db2.gz UCNZPVWTFRCYPR-IVZWLZJFSA-N 2 0 209.293 -0.299 20 0 BBADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284488 590306604 /nfs/dbraw/zinc/30/66/04/590306604.db2.gz UCNZPVWTFRCYPR-OPRDCNLKSA-N 2 0 209.293 -0.299 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284913 590306788 /nfs/dbraw/zinc/30/67/88/590306788.db2.gz WZGYUODDSWPPPP-BBBLOLIVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284914 590306954 /nfs/dbraw/zinc/30/69/54/590306954.db2.gz WZGYUODDSWPPPP-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284915 590306925 /nfs/dbraw/zinc/30/69/25/590306925.db2.gz WZGYUODDSWPPPP-OPRDCNLKSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284916 590306784 /nfs/dbraw/zinc/30/67/84/590306784.db2.gz WZGYUODDSWPPPP-UTLUCORTSA-N 2 0 211.309 -0.066 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877286113 590307337 /nfs/dbraw/zinc/30/73/37/590307337.db2.gz BDMWQHFRHNLVBB-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877286114 590307467 /nfs/dbraw/zinc/30/74/67/590307467.db2.gz BDMWQHFRHNLVBB-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877286115 583307442 /nfs/dbraw/zinc/30/74/42/583307442.db2.gz BDMWQHFRHNLVBB-QWRGUYRKSA-N 2 0 241.335 -0.425 20 0 BBADRP COCC[NH2+]CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286116 583307147 /nfs/dbraw/zinc/30/71/47/583307147.db2.gz BDMWQHFRHNLVBB-WDEREUQCSA-N 2 0 241.335 -0.425 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286525 590307128 /nfs/dbraw/zinc/30/71/28/590307128.db2.gz FULQXBVYUBVPCX-AXFHLTTASA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877286526 590307431 /nfs/dbraw/zinc/30/74/31/590307431.db2.gz FULQXBVYUBVPCX-DCAQKATOSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877286527 590307321 /nfs/dbraw/zinc/30/73/21/590307321.db2.gz FULQXBVYUBVPCX-MXWKQRLJSA-N 2 0 239.319 -0.672 20 0 BBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877286528 590307260 /nfs/dbraw/zinc/30/72/60/590307260.db2.gz FULQXBVYUBVPCX-VWYCJHECSA-N 2 0 239.319 -0.672 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877287635 590307096 /nfs/dbraw/zinc/30/70/96/590307096.db2.gz MKRFQBSJXVMZSI-NXEZZACHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877287636 590307411 /nfs/dbraw/zinc/30/74/11/590307411.db2.gz MKRFQBSJXVMZSI-UWVGGRQHSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877287637 590307162 /nfs/dbraw/zinc/30/71/62/590307162.db2.gz MKRFQBSJXVMZSI-VHSXEESVSA-N 2 0 227.308 -0.685 20 0 BBADRP [NH3+]CCOCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877287638 590307400 /nfs/dbraw/zinc/30/74/00/590307400.db2.gz MKRFQBSJXVMZSI-ZJUUUORDSA-N 2 0 227.308 -0.685 20 0 BBADRP CC[NH2+]CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289965 590307808 /nfs/dbraw/zinc/30/78/08/590307808.db2.gz XEGRNCSDOUMVKU-NXEZZACHSA-N 2 0 211.309 -0.051 20 0 BBADRP CC[NH2+]CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877289968 590307598 /nfs/dbraw/zinc/30/75/98/590307598.db2.gz XEGRNCSDOUMVKU-UWVGGRQHSA-N 2 0 211.309 -0.051 20 0 BBADRP CC[NH2+]CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877289969 590307944 /nfs/dbraw/zinc/30/79/44/590307944.db2.gz XEGRNCSDOUMVKU-VHSXEESVSA-N 2 0 211.309 -0.051 20 0 BBADRP CC[NH2+]CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877289971 590307864 /nfs/dbraw/zinc/30/78/64/590307864.db2.gz XEGRNCSDOUMVKU-ZJUUUORDSA-N 2 0 211.309 -0.051 20 0 BBADRP [NH3+]CCC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336553 590317605 /nfs/dbraw/zinc/31/76/05/590317605.db2.gz KLGQQKBTOMYXFO-JTQLQIEISA-N 2 0 241.335 -0.390 20 0 BBADRP [NH3+]CCC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336555 590317677 /nfs/dbraw/zinc/31/76/77/590317677.db2.gz KLGQQKBTOMYXFO-SNVBAGLBSA-N 2 0 241.335 -0.390 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337124 590318268 /nfs/dbraw/zinc/31/82/68/590318268.db2.gz NYVHSGMXTMFETE-NXEZZACHSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337125 590318349 /nfs/dbraw/zinc/31/83/49/590318349.db2.gz NYVHSGMXTMFETE-UWVGGRQHSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337126 590317692 /nfs/dbraw/zinc/31/76/92/590317692.db2.gz NYVHSGMXTMFETE-VHSXEESVSA-N 2 0 241.335 -0.392 20 0 BBADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337127 590318387 /nfs/dbraw/zinc/31/83/87/590318387.db2.gz NYVHSGMXTMFETE-ZJUUUORDSA-N 2 0 241.335 -0.392 20 0 BBADRP C[NH2+]CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337696 590317620 /nfs/dbraw/zinc/31/76/20/590317620.db2.gz SIDWQGMOAZINIR-JTQLQIEISA-N 2 0 241.335 -0.519 20 0 BBADRP C[NH2+]CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337697 590318306 /nfs/dbraw/zinc/31/83/06/590318306.db2.gz SIDWQGMOAZINIR-SNVBAGLBSA-N 2 0 241.335 -0.519 20 0 BBADRP [NH3+]CC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346708 590318638 /nfs/dbraw/zinc/31/86/38/590318638.db2.gz GGQUIAVMWBPSDH-LLVKDONJSA-N 2 0 219.288 -0.224 20 0 BBADRP [NH3+]CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346709 590318605 /nfs/dbraw/zinc/31/86/05/590318605.db2.gz GGQUIAVMWBPSDH-NSHDSACASA-N 2 0 219.288 -0.224 20 0 BBADRP [NH3+]CCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877370634 645794574 /nfs/dbraw/zinc/79/45/74/645794574.db2.gz DEUNZALUHXANGY-BQBZGAKWSA-N 2 0 239.241 -0.069 20 0 BBADRP [NH3+]CCC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877370635 645793250 /nfs/dbraw/zinc/79/32/50/645793250.db2.gz DEUNZALUHXANGY-NKWVEPMBSA-N 2 0 239.241 -0.069 20 0 BBADRP [NH3+]CCC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877370636 645792639 /nfs/dbraw/zinc/79/26/39/645792639.db2.gz DEUNZALUHXANGY-RNFRBKRXSA-N 2 0 239.241 -0.069 20 0 BBADRP [NH3+]CCC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877370637 645793829 /nfs/dbraw/zinc/79/38/29/645793829.db2.gz DEUNZALUHXANGY-RQJHMYQMSA-N 2 0 239.241 -0.069 20 0 BBADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877370868 645792511 /nfs/dbraw/zinc/79/25/11/645792511.db2.gz HEQCUTXFRUEOEE-WCABBAIRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@H]([NH3+])C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877371062 645792857 /nfs/dbraw/zinc/79/28/57/645792857.db2.gz KVKXGMCYVLTBAG-ACZMJKKPSA-N 2 0 239.241 -0.071 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371063 645794926 /nfs/dbraw/zinc/79/49/26/645794926.db2.gz KVKXGMCYVLTBAG-DSYKOEDSSA-N 2 0 239.241 -0.071 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371064 645794618 /nfs/dbraw/zinc/79/46/18/645794618.db2.gz KVKXGMCYVLTBAG-FSDSQADBSA-N 2 0 239.241 -0.071 20 0 BBADRP C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371065 645793662 /nfs/dbraw/zinc/79/36/62/645793662.db2.gz KVKXGMCYVLTBAG-LYFYHCNISA-N 2 0 239.241 -0.071 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877371066 645792772 /nfs/dbraw/zinc/79/27/72/645792772.db2.gz KVKXGMCYVLTBAG-QYNIQEEDSA-N 2 0 239.241 -0.071 20 0 BBADRP C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371067 645793906 /nfs/dbraw/zinc/79/39/06/645793906.db2.gz KVKXGMCYVLTBAG-RRKCRQDMSA-N 2 0 239.241 -0.071 20 0 BBADRP C[C@@H]([NH3+])C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877371068 645792849 /nfs/dbraw/zinc/79/28/49/645792849.db2.gz KVKXGMCYVLTBAG-VQVTYTSYSA-N 2 0 239.241 -0.071 20 0 BBADRP C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877371069 645794942 /nfs/dbraw/zinc/79/49/42/645794942.db2.gz KVKXGMCYVLTBAG-XVMARJQXSA-N 2 0 239.241 -0.071 20 0 BBADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371446 645793144 /nfs/dbraw/zinc/79/31/44/645793144.db2.gz HEQCUTXFRUEOEE-ATZCPNFKSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CC1([NH3+])CC1)C2 ZINC000877371452 645792863 /nfs/dbraw/zinc/79/28/63/645792863.db2.gz HGXDWZAIQXFGEW-GXSJLCMTSA-N 2 0 223.320 -0.064 20 0 BBADRP C[NH2+]CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877371576 645794207 /nfs/dbraw/zinc/79/42/07/645794207.db2.gz SQACZOLPVIWYOM-BQBZGAKWSA-N 2 0 239.241 -0.199 20 0 BBADRP C[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371578 645794706 /nfs/dbraw/zinc/79/47/06/645794706.db2.gz SQACZOLPVIWYOM-NKWVEPMBSA-N 2 0 239.241 -0.199 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877371579 645793004 /nfs/dbraw/zinc/79/30/04/645793004.db2.gz SQACZOLPVIWYOM-RNFRBKRXSA-N 2 0 239.241 -0.199 20 0 BBADRP C[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877371580 645792054 /nfs/dbraw/zinc/79/20/54/645792054.db2.gz SQACZOLPVIWYOM-RQJHMYQMSA-N 2 0 239.241 -0.199 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])C2 ZINC000877372046 645794277 /nfs/dbraw/zinc/79/42/77/645794277.db2.gz UBGLEGMUHHXNBO-UXCLJVHYSA-N 2 0 239.319 -0.830 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C2 ZINC000877372338 645794320 /nfs/dbraw/zinc/79/43/20/645794320.db2.gz CKWDSBAVSIUJHH-QFOLPQNPSA-N 2 0 223.320 -0.208 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000877372536 645792896 /nfs/dbraw/zinc/79/28/96/645792896.db2.gz CKWDSBAVSIUJHH-UXCLJVHYSA-N 2 0 223.320 -0.208 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877372794 645793781 /nfs/dbraw/zinc/79/37/81/645793781.db2.gz OBHNZACTWFDZES-ATZCPNFKSA-N 2 0 211.309 -0.338 20 0 BBADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373506 645794221 /nfs/dbraw/zinc/79/42/21/645794221.db2.gz AIJCOINQYMRPMZ-IQJOONFLSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC000877373547 645794811 /nfs/dbraw/zinc/79/48/11/645794811.db2.gz CDYZHKFOOUXISQ-ZTVLKNOQSA-N 2 0 235.331 -0.480 20 0 BBADRP C[NH2+]CCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373769 590319740 /nfs/dbraw/zinc/31/97/40/590319740.db2.gz ILTZTPGTYFOJJL-GXSJLCMTSA-N 2 0 211.309 -0.336 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC000877373834 590320058 /nfs/dbraw/zinc/32/00/58/590320058.db2.gz LDYVDQSBPSIORK-OOTJXSFTSA-N 2 0 235.331 -0.195 20 0 BBADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373883 590320048 /nfs/dbraw/zinc/32/00/48/590320048.db2.gz NLQOHSQNPGWPPP-ATZCPNFKSA-N 2 0 211.309 -0.351 20 0 BBADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373884 590319927 /nfs/dbraw/zinc/31/99/27/590319927.db2.gz NLQOHSQNPGWPPP-WCABBAIRSA-N 2 0 211.309 -0.351 20 0 BBADRP CO[C@@H](C[NH3+])CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373958 590319850 /nfs/dbraw/zinc/31/98/50/590319850.db2.gz QNWLLGJEDFOWOX-HOSYDEDBSA-N 2 0 241.335 -0.582 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373959 590319914 /nfs/dbraw/zinc/31/99/14/590319914.db2.gz QNWLLGJEDFOWOX-JBLDHEPKSA-N 2 0 241.335 -0.582 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[NH2+]C1CC1)C2 ZINC000877374280 590320259 /nfs/dbraw/zinc/32/02/59/590320259.db2.gz DFSFOEZOWSVENU-JOYOIKCWSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000877374626 590320173 /nfs/dbraw/zinc/32/01/73/590320173.db2.gz LQYLKXZOHREEQW-HOSYDEDBSA-N 2 0 239.319 -0.957 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC000877374976 590319926 /nfs/dbraw/zinc/31/99/26/590319926.db2.gz PZZIZPTTWYUUSX-IQJOONFLSA-N 2 0 209.293 -0.584 20 0 BBADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877378999 590319905 /nfs/dbraw/zinc/31/99/05/590319905.db2.gz AIJCOINQYMRPMZ-ATZCPNFKSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)COCC[NH3+])C2 ZINC000877379079 583312541 /nfs/dbraw/zinc/31/25/41/583312541.db2.gz CWPLTWNWMCDXCM-GXSJLCMTSA-N 2 0 227.308 -0.970 20 0 BBADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379577 590319908 /nfs/dbraw/zinc/31/99/08/590319908.db2.gz LGCUTVNKOLMOHF-JBLDHEPKSA-N 2 0 225.336 -0.090 20 0 BBADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379578 590319925 /nfs/dbraw/zinc/31/99/25/590319925.db2.gz LGCUTVNKOLMOHF-JFGNBEQYSA-N 2 0 225.336 -0.090 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000877379711 590320009 /nfs/dbraw/zinc/32/00/09/590320009.db2.gz LQYLKXZOHREEQW-JBLDHEPKSA-N 2 0 239.319 -0.957 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCC[NH2+]1)C2 ZINC000877379719 590319991 /nfs/dbraw/zinc/31/99/91/590319991.db2.gz LUPOEOBXXAWJMO-HOSYDEDBSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000877379720 590319924 /nfs/dbraw/zinc/31/99/24/590319924.db2.gz LUPOEOBXXAWJMO-JBLDHEPKSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@]1(F)CC[NH2+]C1)C2 ZINC000877379845 590319809 /nfs/dbraw/zinc/31/98/09/590319809.db2.gz OAQCWURBVMCMSP-MVWJERBFSA-N 2 0 241.310 -0.244 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]1(F)CC[NH2+]C1)C2 ZINC000877379849 583312593 /nfs/dbraw/zinc/31/25/93/583312593.db2.gz OAQCWURBVMCMSP-WCQGTBRESA-N 2 0 241.310 -0.244 20 0 BBADRP CC[NH2+]CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379872 590319959 /nfs/dbraw/zinc/31/99/59/590319959.db2.gz OPZLRSGAHZDDHS-GXSJLCMTSA-N 2 0 211.309 -0.336 20 0 BBADRP CC(C)([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380036 590318279 /nfs/dbraw/zinc/31/82/79/590318279.db2.gz PKOZASKXJPZZHL-GZMMTYOYSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1([NH3+])CC1)C2 ZINC000877380051 590321091 /nfs/dbraw/zinc/32/10/91/590321091.db2.gz PVYNZPMIASWGFN-WCBMZHEXSA-N 2 0 209.293 -0.454 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCC[NH3+])C2 ZINC000877380068 590320661 /nfs/dbraw/zinc/32/06/61/590320661.db2.gz QPOIESUQCPVSIC-GXSJLCMTSA-N 2 0 211.309 -0.207 20 0 BBADRP COCC[NH2+]CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380183 590320837 /nfs/dbraw/zinc/32/08/37/590320837.db2.gz WPKHULKQXVJOCC-CMPLNLGQSA-N 2 0 241.335 -0.710 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877387431 590321746 /nfs/dbraw/zinc/32/17/46/590321746.db2.gz YUGFGMWDIBZMKS-HOSYDEDBSA-N 2 0 240.351 -0.724 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387432 590321240 /nfs/dbraw/zinc/32/12/40/590321240.db2.gz YUGFGMWDIBZMKS-JBLDHEPKSA-N 2 0 240.351 -0.724 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387433 590321441 /nfs/dbraw/zinc/32/14/41/590321441.db2.gz YUGFGMWDIBZMKS-NHCYSSNCSA-N 2 0 240.351 -0.724 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877387434 590321781 /nfs/dbraw/zinc/32/17/81/590321781.db2.gz YUGFGMWDIBZMKS-UMNHJUIQSA-N 2 0 240.351 -0.724 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387874 590321708 /nfs/dbraw/zinc/32/17/08/590321708.db2.gz RVXVTVBKOQSJEW-ATZCPNFKSA-N 2 0 211.309 -0.005 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877387876 590321220 /nfs/dbraw/zinc/32/12/20/590321220.db2.gz RVXVTVBKOQSJEW-IQJOONFLSA-N 2 0 211.309 -0.005 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877387878 590321655 /nfs/dbraw/zinc/32/16/55/590321655.db2.gz RVXVTVBKOQSJEW-NGZCFLSTSA-N 2 0 211.309 -0.005 20 0 BBADRP C[NH2+][C@@H](C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387879 590321466 /nfs/dbraw/zinc/32/14/66/590321466.db2.gz RVXVTVBKOQSJEW-QXEWZRGKSA-N 2 0 211.309 -0.005 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877388671 590321338 /nfs/dbraw/zinc/32/13/38/590321338.db2.gz DHJLBUBWXCTXQR-FXPVBKGRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877388672 590321366 /nfs/dbraw/zinc/32/13/66/590321366.db2.gz DHJLBUBWXCTXQR-KKZNHRDASA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388673 590321364 /nfs/dbraw/zinc/32/13/64/590321364.db2.gz DHJLBUBWXCTXQR-WCABBAIRSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H](C[NH3+])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388674 590321462 /nfs/dbraw/zinc/32/14/62/590321462.db2.gz DHJLBUBWXCTXQR-YWVKMMECSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877389317 590321334 /nfs/dbraw/zinc/32/13/34/590321334.db2.gz BQAULLJTSRNFCJ-OOTJXSFTSA-N 2 0 235.331 -0.147 20 0 BBADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877389319 590321571 /nfs/dbraw/zinc/32/15/71/590321571.db2.gz BQAULLJTSRNFCJ-OQEOFVATSA-N 2 0 235.331 -0.147 20 0 BBADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877389321 590321519 /nfs/dbraw/zinc/32/15/19/590321519.db2.gz BQAULLJTSRNFCJ-UGCHFJIKSA-N 2 0 235.331 -0.147 20 0 BBADRP O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877389343 590321302 /nfs/dbraw/zinc/32/13/02/590321302.db2.gz BQAULLJTSRNFCJ-VLLVSFFDSA-N 2 0 235.331 -0.147 20 0 BBADRP O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC000877389349 590321391 /nfs/dbraw/zinc/32/13/91/590321391.db2.gz BRBZNKWCQRZCTE-CKYFFXLPSA-N 2 0 239.319 -0.624 20 0 BBADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC000877389350 590321168 /nfs/dbraw/zinc/32/11/68/590321168.db2.gz BRBZNKWCQRZCTE-FOGDFJRCSA-N 2 0 239.319 -0.624 20 0 BBADRP O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC000877389351 590321503 /nfs/dbraw/zinc/32/15/03/590321503.db2.gz BRBZNKWCQRZCTE-JFGNBEQYSA-N 2 0 239.319 -0.624 20 0 BBADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1C[NH2+]CCO1 ZINC000877389352 590321463 /nfs/dbraw/zinc/32/14/63/590321463.db2.gz BRBZNKWCQRZCTE-SCVCMEIPSA-N 2 0 239.319 -0.624 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877389616 590321826 /nfs/dbraw/zinc/32/18/26/590321826.db2.gz DZSFPDRNSCWHPA-HOSYDEDBSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877389617 590321491 /nfs/dbraw/zinc/32/14/91/590321491.db2.gz DZSFPDRNSCWHPA-JBLDHEPKSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877389618 635697873 /nfs/dbraw/zinc/69/78/73/635697873.db2.gz DZSFPDRNSCWHPA-NHCYSSNCSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877389619 635698435 /nfs/dbraw/zinc/69/84/35/635698435.db2.gz DZSFPDRNSCWHPA-UMNHJUIQSA-N 2 0 241.335 -0.249 20 0 BBADRP O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[NH2+]1 ZINC000877389765 590321349 /nfs/dbraw/zinc/32/13/49/590321349.db2.gz FYJLURJFLOHODL-FXPVBKGRSA-N 2 0 209.293 -0.251 20 0 BBADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[NH2+]1 ZINC000877389766 590321196 /nfs/dbraw/zinc/32/11/96/590321196.db2.gz FYJLURJFLOHODL-KKZNHRDASA-N 2 0 209.293 -0.251 20 0 BBADRP O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CC[NH2+]1 ZINC000877389767 590321415 /nfs/dbraw/zinc/32/14/15/590321415.db2.gz FYJLURJFLOHODL-WCABBAIRSA-N 2 0 209.293 -0.251 20 0 BBADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CC[NH2+]1 ZINC000877389768 590321620 /nfs/dbraw/zinc/32/16/20/590321620.db2.gz FYJLURJFLOHODL-YWVKMMECSA-N 2 0 209.293 -0.251 20 0 BBADRP C[NH2+]CCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391588 590322029 /nfs/dbraw/zinc/32/20/29/590322029.db2.gz XCLLRFVCKXRTGU-GXSJLCMTSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391589 590322353 /nfs/dbraw/zinc/32/23/53/590322353.db2.gz XCLLRFVCKXRTGU-KOLCDFICSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391590 590322102 /nfs/dbraw/zinc/32/21/02/590322102.db2.gz XCLLRFVCKXRTGU-MWLCHTKSSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391592 590322370 /nfs/dbraw/zinc/32/23/70/590322370.db2.gz XCLLRFVCKXRTGU-ONGXEEELSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC000877398153 590323130 /nfs/dbraw/zinc/32/31/30/590323130.db2.gz BRBZNKWCQRZCTE-NHCYSSNCSA-N 2 0 239.319 -0.624 20 0 BBADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[NH2+]CCO1 ZINC000877398156 590323012 /nfs/dbraw/zinc/32/30/12/590323012.db2.gz BRBZNKWCQRZCTE-UMNHJUIQSA-N 2 0 239.319 -0.624 20 0 BBADRP CC[NH2+]CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398261 590323254 /nfs/dbraw/zinc/32/32/54/590323254.db2.gz COTKBEXRSAEYAF-GXSJLCMTSA-N 2 0 211.309 -0.003 20 0 BBADRP CC[NH2+]CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877398264 590322982 /nfs/dbraw/zinc/32/29/82/590322982.db2.gz COTKBEXRSAEYAF-KOLCDFICSA-N 2 0 211.309 -0.003 20 0 BBADRP CC[NH2+]CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877398267 590323094 /nfs/dbraw/zinc/32/30/94/590323094.db2.gz COTKBEXRSAEYAF-MWLCHTKSSA-N 2 0 211.309 -0.003 20 0 BBADRP CC[NH2+]CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398270 590323192 /nfs/dbraw/zinc/32/31/92/590323192.db2.gz COTKBEXRSAEYAF-ONGXEEELSA-N 2 0 211.309 -0.003 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398459 590322960 /nfs/dbraw/zinc/32/29/60/590322960.db2.gz FPUTYICIYVZMAN-CMPLNLGQSA-N 2 0 241.335 -0.377 20 0 BBADRP COCC[NH2+]CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398460 590323199 /nfs/dbraw/zinc/32/31/99/590323199.db2.gz FPUTYICIYVZMAN-JQWIXIFHSA-N 2 0 241.335 -0.377 20 0 BBADRP COCC[NH2+]CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877398462 590322988 /nfs/dbraw/zinc/32/29/88/590322988.db2.gz FPUTYICIYVZMAN-PWSUYJOCSA-N 2 0 241.335 -0.377 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877398463 590322846 /nfs/dbraw/zinc/32/28/46/590322846.db2.gz FPUTYICIYVZMAN-ZYHUDNBSSA-N 2 0 241.335 -0.377 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400121 590323213 /nfs/dbraw/zinc/32/32/13/590323213.db2.gz STQUAVQCHYBNTH-GXSJLCMTSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]CCOCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877400396 590323799 /nfs/dbraw/zinc/32/37/99/590323799.db2.gz STQUAVQCHYBNTH-KOLCDFICSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]CCOCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877400397 590323350 /nfs/dbraw/zinc/32/33/50/590323350.db2.gz STQUAVQCHYBNTH-MWLCHTKSSA-N 2 0 227.308 -0.638 20 0 BBADRP [NH3+]CCOCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400398 590322790 /nfs/dbraw/zinc/32/27/90/590322790.db2.gz STQUAVQCHYBNTH-ONGXEEELSA-N 2 0 227.308 -0.638 20 0 BBADRP CN(CCCCCC[NH3+])C(=O)[C@@H](N)C[NH+](C)C ZINC000877435882 590326684 /nfs/dbraw/zinc/32/66/84/590326684.db2.gz ZFMWTSCIVAGSDA-NSHDSACASA-N 2 0 244.383 -0.147 20 0 BBADRP CN(CCCCCC[NH3+])C(=O)C1(O)C[NH2+]C1 ZINC000877437564 590327899 /nfs/dbraw/zinc/32/78/99/590327899.db2.gz KOWJOAPLWAXYBE-UHFFFAOYSA-N 2 0 229.324 -0.702 20 0 BBADRP CN(CCCCCC[NH3+])C(=O)[C@H]1C[NH2+]CCO1 ZINC000877438612 590327699 /nfs/dbraw/zinc/32/76/99/590327699.db2.gz UBLZDMCVKYUQJJ-LLVKDONJSA-N 2 0 243.351 -0.048 20 0 BBADRP CN(CCCCCC[NH3+])C(=O)COCC[NH3+] ZINC000877444528 590328891 /nfs/dbraw/zinc/32/88/91/590328891.db2.gz NOYVEDPUHBUCCS-UHFFFAOYSA-N 2 0 231.340 -0.061 20 0 BBADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1C[NH2+]CCO1 ZINC000877445516 590328967 /nfs/dbraw/zinc/32/89/67/590328967.db2.gz UBLZDMCVKYUQJJ-NSHDSACASA-N 2 0 243.351 -0.048 20 0 BBADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1(O)C[NH2+]C1 ZINC000877452058 590329640 /nfs/dbraw/zinc/32/96/40/590329640.db2.gz SAUVFGCMAUHKGJ-NXEZZACHSA-N 2 0 239.319 -0.984 20 0 BBADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1(O)C[NH2+]C1 ZINC000877452059 590329837 /nfs/dbraw/zinc/32/98/37/590329837.db2.gz SAUVFGCMAUHKGJ-UWVGGRQHSA-N 2 0 239.319 -0.984 20 0 BBADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(O)C[NH2+]C1 ZINC000877452060 590329494 /nfs/dbraw/zinc/32/94/94/590329494.db2.gz SAUVFGCMAUHKGJ-VHSXEESVSA-N 2 0 239.319 -0.984 20 0 BBADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1(O)C[NH2+]C1 ZINC000877452061 590329290 /nfs/dbraw/zinc/32/92/90/590329290.db2.gz SAUVFGCMAUHKGJ-ZJUUUORDSA-N 2 0 239.319 -0.984 20 0 BBADRP C[NH+](C)CC1CC[NH+](CCn2cnnn2)CC1 ZINC000877969923 590462308 /nfs/dbraw/zinc/46/23/08/590462308.db2.gz IKQCLXOARQLOAX-UHFFFAOYSA-N 2 0 238.339 -0.053 20 0 BBADRP CC[N@H+](CCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878050455 590482366 /nfs/dbraw/zinc/48/23/66/590482366.db2.gz WSVMCPVZHQAWNF-UHFFFAOYSA-N 2 0 243.351 -0.489 20 0 BBADRP C[C@H](O)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878130106 590502274 /nfs/dbraw/zinc/50/22/74/590502274.db2.gz QKCBOAIQERYNHY-JTQLQIEISA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@@H](O)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878130107 590502639 /nfs/dbraw/zinc/50/26/39/590502639.db2.gz QKCBOAIQERYNHY-SNVBAGLBSA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@H](CO)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878297590 590536291 /nfs/dbraw/zinc/53/62/91/590536291.db2.gz KQWKWPIBZHVYEO-SNVBAGLBSA-N 2 0 243.351 -0.491 20 0 BBADRP C[N@H+](CCCO)CC(=O)NC1CC[NH+](C)CC1 ZINC000878555676 590591148 /nfs/dbraw/zinc/59/11/48/590591148.db2.gz DGKLHHKAVPECFC-UHFFFAOYSA-N 2 0 243.351 -0.489 20 0 BBADRP C[NH+](C)C[C@]1(O)CCCN(CC2OCCO2)C1 ZINC000878865272 590634458 /nfs/dbraw/zinc/63/44/58/590634458.db2.gz GORKNHLBTDMPHI-GFCCVEGCSA-N 2 0 244.335 -0.252 20 0 BBADRP C[NH+](C)C[C@@]1(O)CCCN(CC2OCCO2)C1 ZINC000878865273 590635261 /nfs/dbraw/zinc/63/52/61/590635261.db2.gz GORKNHLBTDMPHI-LBPRGKRZSA-N 2 0 244.335 -0.252 20 0 BBADRP COC(CN1CCC[C@@](O)(C[NH+](C)C)C1)OC ZINC000878866007 590634967 /nfs/dbraw/zinc/63/49/67/590634967.db2.gz PKULWSGQGGLAKO-GFCCVEGCSA-N 2 0 246.351 -0.006 20 0 BBADRP COC(CN1CCC[C@](O)(C[NH+](C)C)C1)OC ZINC000878866008 590633941 /nfs/dbraw/zinc/63/39/41/590633941.db2.gz PKULWSGQGGLAKO-LBPRGKRZSA-N 2 0 246.351 -0.006 20 0 BBADRP COCC[N@@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000879123393 590699565 /nfs/dbraw/zinc/69/95/65/590699565.db2.gz GTWJKJJROVLBQZ-UHFFFAOYSA-N 2 0 243.351 -0.238 20 0 BBADRP C[C@@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)[NH+](C)C ZINC000879543425 590797618 /nfs/dbraw/zinc/79/76/18/590797618.db2.gz MLVDXJBYWPPHPJ-CMPLNLGQSA-N 2 0 245.367 -0.245 20 0 BBADRP C[C@@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)[NH+](C)C ZINC000879543427 590797944 /nfs/dbraw/zinc/79/79/44/590797944.db2.gz MLVDXJBYWPPHPJ-JQWIXIFHSA-N 2 0 245.367 -0.245 20 0 BBADRP C[C@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)[NH+](C)C ZINC000879543429 590797908 /nfs/dbraw/zinc/79/79/08/590797908.db2.gz MLVDXJBYWPPHPJ-PWSUYJOCSA-N 2 0 245.367 -0.245 20 0 BBADRP C[C@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)[NH+](C)C ZINC000879543431 590797413 /nfs/dbraw/zinc/79/74/13/590797413.db2.gz MLVDXJBYWPPHPJ-ZYHUDNBSSA-N 2 0 245.367 -0.245 20 0 BBADRP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)[NH+](C)C ZINC000879991387 590905571 /nfs/dbraw/zinc/90/55/71/590905571.db2.gz XMMDXAMNCPMUBY-GHMZBOCLSA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)[NH+](C)C ZINC000879991388 590905034 /nfs/dbraw/zinc/90/50/34/590905034.db2.gz XMMDXAMNCPMUBY-MNOVXSKESA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)[NH+](C)C ZINC000879991389 590905255 /nfs/dbraw/zinc/90/52/55/590905255.db2.gz XMMDXAMNCPMUBY-QWRGUYRKSA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)[NH+](C)C ZINC000879991390 590904784 /nfs/dbraw/zinc/90/47/84/590904784.db2.gz XMMDXAMNCPMUBY-WDEREUQCSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000882487381 591363466 /nfs/dbraw/zinc/36/34/66/591363466.db2.gz DJFNTQOHSXFCAX-GHMZBOCLSA-N 2 0 241.335 -0.473 20 0 BBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC000882487389 591364319 /nfs/dbraw/zinc/36/43/19/591364319.db2.gz DJFNTQOHSXFCAX-MNOVXSKESA-N 2 0 241.335 -0.473 20 0 BBADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000882487392 583617829 /nfs/dbraw/zinc/61/78/29/583617829.db2.gz DJFNTQOHSXFCAX-WDEREUQCSA-N 2 0 241.335 -0.473 20 0 BBADRP CN(CC[NH2+]CC1(C)COC1)CCOCCO ZINC000883349277 591623798 /nfs/dbraw/zinc/62/37/98/591623798.db2.gz XBXCDFSOVUFBLA-UHFFFAOYSA-N 2 0 246.351 -0.447 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883414797 591652176 /nfs/dbraw/zinc/65/21/76/591652176.db2.gz GMJXZDUCZGVECM-AEJSXWLSSA-N 2 0 201.289 -0.020 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883414798 591653253 /nfs/dbraw/zinc/65/32/53/591653253.db2.gz GMJXZDUCZGVECM-GUBZILKMSA-N 2 0 201.289 -0.020 20 0 BBADRP F[C@@H]1C[NH2+][C@H](CN2CCC[NH2+]CC2)C1 ZINC000883414909 591652131 /nfs/dbraw/zinc/65/21/31/591652131.db2.gz IYSZRYYIJCDGQQ-UWVGGRQHSA-N 2 0 201.289 -0.018 20 0 BBADRP c1nnnn1CCN(C1CC1)C1CC[NH2+]CC1 ZINC000883415612 591653208 /nfs/dbraw/zinc/65/32/08/591653208.db2.gz AHVWWZNGVSMIOZ-UHFFFAOYSA-N 2 0 236.323 -0.111 20 0 BBADRP C[C@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883416145 591653019 /nfs/dbraw/zinc/65/30/19/591653019.db2.gz MQBPVKMKOUHDJH-GUBZILKMSA-N 2 0 201.289 -0.020 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883416146 591653021 /nfs/dbraw/zinc/65/30/21/591653021.db2.gz MQBPVKMKOUHDJH-UTLUCORTSA-N 2 0 201.289 -0.020 20 0 BBADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000883416970 591653066 /nfs/dbraw/zinc/65/30/66/591653066.db2.gz JYRRKQHPWNQOJI-GUBZILKMSA-N 2 0 201.289 -0.020 20 0 BBADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000883416971 591652567 /nfs/dbraw/zinc/65/25/67/591652567.db2.gz JYRRKQHPWNQOJI-LPEHRKFASA-N 2 0 201.289 -0.020 20 0 BBADRP [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883417184 591652467 /nfs/dbraw/zinc/65/24/67/591652467.db2.gz QTEJRTHURVBVLQ-GUBZILKMSA-N 2 0 201.289 -0.033 20 0 BBADRP [NH3+]C[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883417185 591652807 /nfs/dbraw/zinc/65/28/07/591652807.db2.gz QTEJRTHURVBVLQ-UTLUCORTSA-N 2 0 201.289 -0.033 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883417229 591652750 /nfs/dbraw/zinc/65/27/50/591652750.db2.gz STJNZFKLJNFVBF-RYUDHWBXSA-N 2 0 244.358 -0.477 20 0 BBADRP C[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000883417740 591654856 /nfs/dbraw/zinc/65/48/56/591654856.db2.gz LNIXPBKCCRCZKZ-GUBZILKMSA-N 2 0 201.289 -0.020 20 0 BBADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000883417741 591654412 /nfs/dbraw/zinc/65/44/12/591654412.db2.gz LNIXPBKCCRCZKZ-UTLUCORTSA-N 2 0 201.289 -0.020 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000883418514 591653952 /nfs/dbraw/zinc/65/39/52/591653952.db2.gz KJUZWMWBGVIYLW-NAKRPEOUSA-N 2 0 231.315 -0.266 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000883418515 591654229 /nfs/dbraw/zinc/65/42/29/591654229.db2.gz KJUZWMWBGVIYLW-RCWTZXSCSA-N 2 0 231.315 -0.266 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000883418516 591653616 /nfs/dbraw/zinc/65/36/16/591653616.db2.gz KJUZWMWBGVIYLW-VPOLOUISSA-N 2 0 231.315 -0.266 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000883418517 591654141 /nfs/dbraw/zinc/65/41/41/591654141.db2.gz KJUZWMWBGVIYLW-XWLWVQCSSA-N 2 0 231.315 -0.266 20 0 BBADRP COCC[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423052 591659346 /nfs/dbraw/zinc/65/93/46/591659346.db2.gz AZDSEXWZQMODJP-RYUDHWBXSA-N 2 0 245.342 -0.050 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000883424923 591658273 /nfs/dbraw/zinc/65/82/73/591658273.db2.gz HMPZSJSBCQMJQT-GUBZILKMSA-N 2 0 217.288 -0.654 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000883424924 591659086 /nfs/dbraw/zinc/65/90/86/591659086.db2.gz HMPZSJSBCQMJQT-LPEHRKFASA-N 2 0 217.288 -0.654 20 0 BBADRP F[C@@H]1C[NH2+][C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000883427342 591660022 /nfs/dbraw/zinc/66/00/22/591660022.db2.gz ONYFENOQQXHAQE-VLEAKVRGSA-N 2 0 213.300 -0.162 20 0 BBADRP c1nnnn1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000883427867 591660067 /nfs/dbraw/zinc/66/00/67/591660067.db2.gz FHHXJBYFQKMUAK-UHFFFAOYSA-N 2 0 236.323 -0.251 20 0 BBADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000883429310 591660732 /nfs/dbraw/zinc/66/07/32/591660732.db2.gz RWHNDNSIZVJOST-RCWTZXSCSA-N 2 0 213.300 -0.020 20 0 BBADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1[NH3+] ZINC000883430574 591662072 /nfs/dbraw/zinc/66/20/72/591662072.db2.gz XYLSQOXSFXZYLK-XFWSIPNHSA-N 2 0 201.289 -0.035 20 0 BBADRP c1nnnn1CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883430674 591662243 /nfs/dbraw/zinc/66/22/43/591662243.db2.gz ZZFUHRHOFKFIEP-LLVKDONJSA-N 2 0 236.323 -0.251 20 0 BBADRP c1nnnn1CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883430675 591661587 /nfs/dbraw/zinc/66/15/87/591661587.db2.gz ZZFUHRHOFKFIEP-NSHDSACASA-N 2 0 236.323 -0.251 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCCO1 ZINC000883432937 591663001 /nfs/dbraw/zinc/66/30/01/591663001.db2.gz DTVBHDGGYZRZTE-DCAQKATOSA-N 2 0 231.315 -0.264 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCCO1 ZINC000883432938 591663391 /nfs/dbraw/zinc/66/33/91/591663391.db2.gz DTVBHDGGYZRZTE-GARJFASQSA-N 2 0 231.315 -0.264 20 0 BBADRP c1nnnn1CCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433433 591663956 /nfs/dbraw/zinc/66/39/56/591663956.db2.gz PZPVNNIJGIOPEU-JTQLQIEISA-N 2 0 222.296 -0.499 20 0 BBADRP c1nnnn1CCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433434 591664523 /nfs/dbraw/zinc/66/45/23/591664523.db2.gz PZPVNNIJGIOPEU-SNVBAGLBSA-N 2 0 222.296 -0.499 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCn1cnnn1 ZINC000883434275 591663702 /nfs/dbraw/zinc/66/37/02/591663702.db2.gz MCDJCELDFGFUCS-RKDXNWHRSA-N 2 0 210.285 -0.467 20 0 BBADRP CCO[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C[NH3+] ZINC000883435430 591666307 /nfs/dbraw/zinc/66/63/07/591666307.db2.gz SJTZOGMUOWCLPB-NOOOWODRSA-N 2 0 245.342 -0.018 20 0 BBADRP O[C@@H]1C[C@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[N@@H+]2C1 ZINC000883435683 591665335 /nfs/dbraw/zinc/66/53/35/591665335.db2.gz ZJXVQTLDRCFDBV-FIQHERPVSA-N 2 0 243.326 -0.563 20 0 BBADRP C[NH2+]CCOCCN(C)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883437279 591667333 /nfs/dbraw/zinc/66/73/33/591667333.db2.gz NZSBRJKXQDDDTC-QWRGUYRKSA-N 2 0 233.331 -0.146 20 0 BBADRP [NH3+][C@@]12CCC[C@@H]1CN(CCn1cnnn1)C2 ZINC000883437312 591655669 /nfs/dbraw/zinc/65/56/69/591655669.db2.gz OKALCLXYVXVWGV-NXEZZACHSA-N 2 0 222.296 -0.514 20 0 BBADRP [NH3+][C@]12CCC[C@H]1CN(CCn1cnnn1)C2 ZINC000883437313 591656232 /nfs/dbraw/zinc/65/62/32/591656232.db2.gz OKALCLXYVXVWGV-UWVGGRQHSA-N 2 0 222.296 -0.514 20 0 BBADRP CN(CCOCC[NH3+])C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883437440 591667815 /nfs/dbraw/zinc/66/78/15/591667815.db2.gz RYIUEFFDOANUFP-UWVGGRQHSA-N 2 0 219.304 -0.407 20 0 BBADRP CC(=O)N1C[C@@H]2C[N@@H+](CCC[NH3+])C[C@@H]2C1 ZINC000883448535 591671097 /nfs/dbraw/zinc/67/10/97/591671097.db2.gz IEIMABFEESODIY-PHIMTYICSA-N 2 0 211.309 -0.255 20 0 BBADRP C[NH2+]C[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000883449995 591671054 /nfs/dbraw/zinc/67/10/54/591671054.db2.gz WGSMMASRRRTXRG-CYBMUJFWSA-N 2 0 240.395 -0.035 20 0 BBADRP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCOCC[NH3+] ZINC000883461840 591674275 /nfs/dbraw/zinc/67/42/75/591674275.db2.gz DZQLZOHERAUOTM-JTQLQIEISA-N 2 0 231.340 -0.207 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000883462138 591674590 /nfs/dbraw/zinc/67/45/90/591674590.db2.gz KSYJXLWHLSPXHG-GHMZBOCLSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000883462139 591674200 /nfs/dbraw/zinc/67/42/00/591674200.db2.gz KSYJXLWHLSPXHG-MNOVXSKESA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000883462140 591674231 /nfs/dbraw/zinc/67/42/31/591674231.db2.gz KSYJXLWHLSPXHG-QWRGUYRKSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000883462141 591674191 /nfs/dbraw/zinc/67/41/91/591674191.db2.gz KSYJXLWHLSPXHG-WDEREUQCSA-N 2 0 241.335 -0.438 20 0 BBADRP c1ncc2c(n1)CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000883462342 591673921 /nfs/dbraw/zinc/67/39/21/591673921.db2.gz OSANJHIVAPBIEZ-UHFFFAOYSA-N 2 0 247.346 -0.260 20 0 BBADRP [NH3+]CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884004987 591793094 /nfs/dbraw/zinc/79/30/94/591793094.db2.gz QHEHPBIZVQFCBS-UHFFFAOYSA-N 2 0 249.318 -0.820 20 0 BBADRP C[NH2+]CCOc1cccc(C(=O)NCC[NH3+])c1 ZINC000884005280 591793114 /nfs/dbraw/zinc/79/31/14/591793114.db2.gz AIRYHFSCQWHXJH-UHFFFAOYSA-N 2 0 237.303 -0.027 20 0 BBADRP C[NH2+]CCOc1ccccc1C(=O)NCC[NH3+] ZINC000884005787 591794545 /nfs/dbraw/zinc/79/45/45/591794545.db2.gz VCZFLZLXYHMGCJ-UHFFFAOYSA-N 2 0 237.303 -0.027 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000884005810 591793399 /nfs/dbraw/zinc/79/33/99/591793399.db2.gz VWKWQGQYEXUCFJ-JTQLQIEISA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC1CC[NH2+]CC1 ZINC000884005811 591793061 /nfs/dbraw/zinc/79/30/61/591793061.db2.gz VWKWQGQYEXUCFJ-SNVBAGLBSA-N 2 0 211.309 -0.018 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000884008551 591796485 /nfs/dbraw/zinc/79/64/85/591796485.db2.gz SVAYCZAVPYTOKO-BDAKNGLRSA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000884008552 591796675 /nfs/dbraw/zinc/79/66/75/591796675.db2.gz SVAYCZAVPYTOKO-RKDXNWHRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884009574 591797651 /nfs/dbraw/zinc/79/76/51/591797651.db2.gz ZZFRZQWDAFGNPX-NXEZZACHSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884009575 591797672 /nfs/dbraw/zinc/79/76/72/591797672.db2.gz ZZFRZQWDAFGNPX-UWVGGRQHSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884009576 591797824 /nfs/dbraw/zinc/79/78/24/591797824.db2.gz ZZFRZQWDAFGNPX-VHSXEESVSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884009577 591797909 /nfs/dbraw/zinc/79/79/09/591797909.db2.gz ZZFRZQWDAFGNPX-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000884012227 591799113 /nfs/dbraw/zinc/79/91/13/591799113.db2.gz DJSSRHCPLDKQMT-NSHDSACASA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884012679 591798514 /nfs/dbraw/zinc/79/85/14/591798514.db2.gz RLZAOKIJGVPIHO-SECBINFHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884012680 591798545 /nfs/dbraw/zinc/79/85/45/591798545.db2.gz RLZAOKIJGVPIHO-VIFPVBQESA-N 2 0 213.325 -0.042 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884012869 591798873 /nfs/dbraw/zinc/79/88/73/591798873.db2.gz XMWGWQPNUBZQBD-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884012870 591799062 /nfs/dbraw/zinc/79/90/62/591799062.db2.gz XMWGWQPNUBZQBD-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884012871 591798831 /nfs/dbraw/zinc/79/88/31/591798831.db2.gz XMWGWQPNUBZQBD-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884012872 591799105 /nfs/dbraw/zinc/79/91/05/591799105.db2.gz XMWGWQPNUBZQBD-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000884013980 591799543 /nfs/dbraw/zinc/79/95/43/591799543.db2.gz XTGIUKVRWXWIQN-AEJSXWLSSA-N 2 0 229.324 -0.312 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000884013981 591799688 /nfs/dbraw/zinc/79/96/88/591799688.db2.gz XTGIUKVRWXWIQN-BBBLOLIVSA-N 2 0 229.324 -0.312 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000884013982 591799564 /nfs/dbraw/zinc/79/95/64/591799564.db2.gz XTGIUKVRWXWIQN-GUBZILKMSA-N 2 0 229.324 -0.312 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000884013983 591799727 /nfs/dbraw/zinc/79/97/27/591799727.db2.gz XTGIUKVRWXWIQN-UTLUCORTSA-N 2 0 229.324 -0.312 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000884016417 645866220 /nfs/dbraw/zinc/86/62/20/645866220.db2.gz VNXQWMJRNLCGQT-BDAKNGLRSA-N 2 0 211.309 -0.290 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000884016418 645865950 /nfs/dbraw/zinc/86/59/50/645865950.db2.gz VNXQWMJRNLCGQT-DTWKUNHWSA-N 2 0 211.309 -0.290 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000884016419 645866066 /nfs/dbraw/zinc/86/60/66/645866066.db2.gz VNXQWMJRNLCGQT-IUCAKERBSA-N 2 0 211.309 -0.290 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000884016420 645865937 /nfs/dbraw/zinc/86/59/37/645865937.db2.gz VNXQWMJRNLCGQT-RKDXNWHRSA-N 2 0 211.309 -0.290 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017614 591800448 /nfs/dbraw/zinc/80/04/48/591800448.db2.gz AZLDDSHINPTGPE-NXEZZACHSA-N 2 0 229.324 -0.392 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017615 591800420 /nfs/dbraw/zinc/80/04/20/591800420.db2.gz AZLDDSHINPTGPE-UWVGGRQHSA-N 2 0 229.324 -0.392 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017616 591799979 /nfs/dbraw/zinc/79/99/79/591799979.db2.gz AZLDDSHINPTGPE-VHSXEESVSA-N 2 0 229.324 -0.392 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017617 591800711 /nfs/dbraw/zinc/80/07/11/591800711.db2.gz AZLDDSHINPTGPE-ZJUUUORDSA-N 2 0 229.324 -0.392 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000884018576 591800492 /nfs/dbraw/zinc/80/04/92/591800492.db2.gz YGGKPYALEAHYFP-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884018577 591800644 /nfs/dbraw/zinc/80/06/44/591800644.db2.gz YGGKPYALEAHYFP-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884018578 591800724 /nfs/dbraw/zinc/80/07/24/591800724.db2.gz YGGKPYALEAHYFP-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884019086 591801738 /nfs/dbraw/zinc/80/17/38/591801738.db2.gz LHDAMNALEPOBPT-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884019087 591801636 /nfs/dbraw/zinc/80/16/36/591801636.db2.gz LHDAMNALEPOBPT-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884019088 591801336 /nfs/dbraw/zinc/80/13/36/591801336.db2.gz LHDAMNALEPOBPT-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884019089 591801858 /nfs/dbraw/zinc/80/18/58/591801858.db2.gz LHDAMNALEPOBPT-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000884019156 591801887 /nfs/dbraw/zinc/80/18/87/591801887.db2.gz NHELSPRMNWKCPV-AEJSXWLSSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000884019157 591801654 /nfs/dbraw/zinc/80/16/54/591801654.db2.gz NHELSPRMNWKCPV-BBBLOLIVSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000884019158 591801193 /nfs/dbraw/zinc/80/11/93/591801193.db2.gz NHELSPRMNWKCPV-GUBZILKMSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000884019159 591801392 /nfs/dbraw/zinc/80/13/92/591801392.db2.gz NHELSPRMNWKCPV-UTLUCORTSA-N 2 0 229.324 -0.536 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000884020270 591801681 /nfs/dbraw/zinc/80/16/81/591801681.db2.gz SVAYCZAVPYTOKO-DTWKUNHWSA-N 2 0 211.309 -0.208 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000884020271 591801824 /nfs/dbraw/zinc/80/18/24/591801824.db2.gz SVAYCZAVPYTOKO-IUCAKERBSA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884020304 591801311 /nfs/dbraw/zinc/80/13/11/591801311.db2.gz UONXINOIHCBWEO-NXEZZACHSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884020305 591801594 /nfs/dbraw/zinc/80/15/94/591801594.db2.gz UONXINOIHCBWEO-UWVGGRQHSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884020306 591801799 /nfs/dbraw/zinc/80/17/99/591801799.db2.gz UONXINOIHCBWEO-VHSXEESVSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884020307 591801713 /nfs/dbraw/zinc/80/17/13/591801713.db2.gz UONXINOIHCBWEO-ZJUUUORDSA-N 2 0 211.309 -0.079 20 0 BBADRP C[NH2+]CCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884023097 591804014 /nfs/dbraw/zinc/80/40/14/591804014.db2.gz BCKQEORWVRBSHE-VIFPVBQESA-N 2 0 201.314 -0.044 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884023310 591804057 /nfs/dbraw/zinc/80/40/57/591804057.db2.gz IKKDYKUDFFOJPK-SECBINFHSA-N 2 0 213.325 -0.042 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884023311 591803681 /nfs/dbraw/zinc/80/36/81/591803681.db2.gz IKKDYKUDFFOJPK-VIFPVBQESA-N 2 0 213.325 -0.042 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884024247 591805192 /nfs/dbraw/zinc/80/51/92/591805192.db2.gz MCBZQPNKQFDUFM-NXEZZACHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884024248 591804786 /nfs/dbraw/zinc/80/47/86/591804786.db2.gz MCBZQPNKQFDUFM-UWVGGRQHSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884024249 591804673 /nfs/dbraw/zinc/80/46/73/591804673.db2.gz MCBZQPNKQFDUFM-VHSXEESVSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884024250 591804980 /nfs/dbraw/zinc/80/49/80/591804980.db2.gz MCBZQPNKQFDUFM-ZJUUUORDSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NCC[NH2+]C1CC1 ZINC000884025254 591806159 /nfs/dbraw/zinc/80/61/59/591806159.db2.gz QSWCKFPRHOVCNR-JTQLQIEISA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NCC[NH2+]C1CC1 ZINC000884025255 591805906 /nfs/dbraw/zinc/80/59/06/591805906.db2.gz QSWCKFPRHOVCNR-SNVBAGLBSA-N 2 0 211.309 -0.018 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000884025622 591807138 /nfs/dbraw/zinc/80/71/38/591807138.db2.gz BVSUZFNEJGXOLA-JTQLQIEISA-N 2 0 231.340 -0.146 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000884025623 591807321 /nfs/dbraw/zinc/80/73/21/591807321.db2.gz BVSUZFNEJGXOLA-SNVBAGLBSA-N 2 0 231.340 -0.146 20 0 BBADRP CCCN(C(=O)[C@H]([NH3+])CCOC)[C@@H]1CC[NH2+]C1 ZINC000884026387 591808599 /nfs/dbraw/zinc/80/85/99/591808599.db2.gz BIHMIKUFWUCFDT-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCN(C(=O)[C@@H]([NH3+])CCOC)[C@@H]1CC[NH2+]C1 ZINC000884026388 591809043 /nfs/dbraw/zinc/80/90/43/591809043.db2.gz BIHMIKUFWUCFDT-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CCCN(C(=O)[C@@H]([NH3+])CCOC)[C@H]1CC[NH2+]C1 ZINC000884026389 591808711 /nfs/dbraw/zinc/80/87/11/591808711.db2.gz BIHMIKUFWUCFDT-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CCCN(C(=O)[C@H]([NH3+])CCOC)[C@H]1CC[NH2+]C1 ZINC000884026390 591809324 /nfs/dbraw/zinc/80/93/24/591809324.db2.gz BIHMIKUFWUCFDT-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CN(C(=O)[C@H]([NH3+])CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000884029475 591814259 /nfs/dbraw/zinc/81/42/59/591814259.db2.gz NDYUJVLCCWCAKA-NXEZZACHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)[C@@H]([NH3+])CC1CC1)[C@H]1CC[NH2+]C1 ZINC000884029476 591813515 /nfs/dbraw/zinc/81/35/15/591813515.db2.gz NDYUJVLCCWCAKA-UWVGGRQHSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)[C@H]([NH3+])CC1CC1)[C@H]1CC[NH2+]C1 ZINC000884029477 591813891 /nfs/dbraw/zinc/81/38/91/591813891.db2.gz NDYUJVLCCWCAKA-VHSXEESVSA-N 2 0 211.309 -0.066 20 0 BBADRP CN(C(=O)[C@@H]([NH3+])CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000884029478 591814112 /nfs/dbraw/zinc/81/41/12/591814112.db2.gz NDYUJVLCCWCAKA-ZJUUUORDSA-N 2 0 211.309 -0.066 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000884029933 591813493 /nfs/dbraw/zinc/81/34/93/591813493.db2.gz AQGDCOCFLFDUFL-AEJSXWLSSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000884029934 591814131 /nfs/dbraw/zinc/81/41/31/591814131.db2.gz AQGDCOCFLFDUFL-BBBLOLIVSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000884029935 591814275 /nfs/dbraw/zinc/81/42/75/591814275.db2.gz AQGDCOCFLFDUFL-GUBZILKMSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000884029936 591813479 /nfs/dbraw/zinc/81/34/79/591813479.db2.gz AQGDCOCFLFDUFL-KXUCPTDWSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000884030287 591813876 /nfs/dbraw/zinc/81/38/76/591813876.db2.gz LHFRVEVMZNASRK-SECBINFHSA-N 2 0 229.324 -0.262 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000884030288 591814250 /nfs/dbraw/zinc/81/42/50/591814250.db2.gz LHFRVEVMZNASRK-VIFPVBQESA-N 2 0 229.324 -0.262 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000884030806 591813464 /nfs/dbraw/zinc/81/34/64/591813464.db2.gz YFUKBPKGNZQZQG-CIUDSAMLSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000884030807 591813557 /nfs/dbraw/zinc/81/35/57/591813557.db2.gz YFUKBPKGNZQZQG-HLTSFMKQSA-N 2 0 215.297 -0.831 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884031333 591814698 /nfs/dbraw/zinc/81/46/98/591814698.db2.gz NADRDLNRBHCYOJ-BDAKNGLRSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884031334 591815083 /nfs/dbraw/zinc/81/50/83/591815083.db2.gz NADRDLNRBHCYOJ-DTWKUNHWSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884031335 591814931 /nfs/dbraw/zinc/81/49/31/591814931.db2.gz NADRDLNRBHCYOJ-IUCAKERBSA-N 2 0 215.297 -0.830 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884031336 591815162 /nfs/dbraw/zinc/81/51/62/591815162.db2.gz NADRDLNRBHCYOJ-RKDXNWHRSA-N 2 0 215.297 -0.830 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])CCOC ZINC000884031384 591815528 /nfs/dbraw/zinc/81/55/28/591815528.db2.gz OAZHPFKFOTVLAW-SECBINFHSA-N 2 0 231.340 -0.016 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])CCOC ZINC000884031385 591814937 /nfs/dbraw/zinc/81/49/37/591814937.db2.gz OAZHPFKFOTVLAW-VIFPVBQESA-N 2 0 231.340 -0.016 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884032338 591815444 /nfs/dbraw/zinc/81/54/44/591815444.db2.gz OVHIGUVEVVMNLC-PSASIEDQSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884032339 591815507 /nfs/dbraw/zinc/81/55/07/591815507.db2.gz OVHIGUVEVVMNLC-SCZZXKLOSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884032340 591814879 /nfs/dbraw/zinc/81/48/79/591814879.db2.gz OVHIGUVEVVMNLC-WCBMZHEXSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884032341 591814767 /nfs/dbraw/zinc/81/47/67/591814767.db2.gz OVHIGUVEVVMNLC-WPRPVWTQSA-N 2 0 211.309 -0.066 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000884032582 591816293 /nfs/dbraw/zinc/81/62/93/591816293.db2.gz WKUFCMLAYWTPRB-NXEZZACHSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000884032583 591816093 /nfs/dbraw/zinc/81/60/93/591816093.db2.gz WKUFCMLAYWTPRB-UWVGGRQHSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000884032584 591816778 /nfs/dbraw/zinc/81/67/78/591816778.db2.gz WKUFCMLAYWTPRB-VHSXEESVSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000884032585 591816136 /nfs/dbraw/zinc/81/61/36/591816136.db2.gz WKUFCMLAYWTPRB-ZJUUUORDSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000884033599 591816488 /nfs/dbraw/zinc/81/64/88/591816488.db2.gz PZUQQWDKEHKCHK-AXFHLTTASA-N 2 0 243.351 -0.064 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000884033600 591816637 /nfs/dbraw/zinc/81/66/37/591816637.db2.gz PZUQQWDKEHKCHK-DCAQKATOSA-N 2 0 243.351 -0.064 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000884033601 591816013 /nfs/dbraw/zinc/81/60/13/591816013.db2.gz PZUQQWDKEHKCHK-MXWKQRLJSA-N 2 0 243.351 -0.064 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000884033602 591816390 /nfs/dbraw/zinc/81/63/90/591816390.db2.gz PZUQQWDKEHKCHK-VWYCJHECSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000884033978 591816528 /nfs/dbraw/zinc/81/65/28/591816528.db2.gz WSJAXGVBFPVAJN-AEJSXWLSSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000884033979 591816656 /nfs/dbraw/zinc/81/66/56/591816656.db2.gz WSJAXGVBFPVAJN-BBBLOLIVSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000884033980 591815788 /nfs/dbraw/zinc/81/57/88/591815788.db2.gz WSJAXGVBFPVAJN-GUBZILKMSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000884033981 591815918 /nfs/dbraw/zinc/81/59/18/591815918.db2.gz WSJAXGVBFPVAJN-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000884034236 591816436 /nfs/dbraw/zinc/81/64/36/591816436.db2.gz ATFMRZGPQLKPOC-DCAQKATOSA-N 2 0 243.351 -0.064 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000884034237 591816217 /nfs/dbraw/zinc/81/62/17/591816217.db2.gz ATFMRZGPQLKPOC-GARJFASQSA-N 2 0 243.351 -0.064 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000884034238 591816253 /nfs/dbraw/zinc/81/62/53/591816253.db2.gz ATFMRZGPQLKPOC-OUAUKWLOSA-N 2 0 243.351 -0.064 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000884034239 591816686 /nfs/dbraw/zinc/81/66/86/591816686.db2.gz ATFMRZGPQLKPOC-VWYCJHECSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000884034788 591817887 /nfs/dbraw/zinc/81/78/87/591817887.db2.gz LPGMTTSNXPNSIC-AEJSXWLSSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000884034789 591817581 /nfs/dbraw/zinc/81/75/81/591817581.db2.gz LPGMTTSNXPNSIC-BBBLOLIVSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000884034790 591817727 /nfs/dbraw/zinc/81/77/27/591817727.db2.gz LPGMTTSNXPNSIC-GUBZILKMSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000884034791 591817210 /nfs/dbraw/zinc/81/72/10/591817210.db2.gz LPGMTTSNXPNSIC-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000884035734 591817237 /nfs/dbraw/zinc/81/72/37/591817237.db2.gz FTEKWUBQJNAIEY-GXSJLCMTSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000884035735 591817954 /nfs/dbraw/zinc/81/79/54/591817954.db2.gz FTEKWUBQJNAIEY-KOLCDFICSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000884035736 591817479 /nfs/dbraw/zinc/81/74/79/591817479.db2.gz FTEKWUBQJNAIEY-MWLCHTKSSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000884035737 591817271 /nfs/dbraw/zinc/81/72/71/591817271.db2.gz FTEKWUBQJNAIEY-ONGXEEELSA-N 2 0 231.340 -0.160 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)C1CC1 ZINC000884037104 591818594 /nfs/dbraw/zinc/81/85/94/591818594.db2.gz PHNWVZBFTRDRTL-NXEZZACHSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)C1CC1 ZINC000884037105 591818328 /nfs/dbraw/zinc/81/83/28/591818328.db2.gz PHNWVZBFTRDRTL-UWVGGRQHSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)C1CC1 ZINC000884037106 591819136 /nfs/dbraw/zinc/81/91/36/591819136.db2.gz PHNWVZBFTRDRTL-VHSXEESVSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)C1CC1 ZINC000884037107 591818514 /nfs/dbraw/zinc/81/85/14/591818514.db2.gz PHNWVZBFTRDRTL-ZJUUUORDSA-N 2 0 211.309 -0.033 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000884037536 591818291 /nfs/dbraw/zinc/81/82/91/591818291.db2.gz CNOKFDFBOTUUPW-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000884037537 591818975 /nfs/dbraw/zinc/81/89/75/591818975.db2.gz CNOKFDFBOTUUPW-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CCOC ZINC000884039468 591822015 /nfs/dbraw/zinc/82/20/15/591822015.db2.gz PQRCMYACISHXDK-SECBINFHSA-N 2 0 231.340 -0.016 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CCOC ZINC000884039469 591822006 /nfs/dbraw/zinc/82/20/06/591822006.db2.gz PQRCMYACISHXDK-VIFPVBQESA-N 2 0 231.340 -0.016 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000884040770 591823095 /nfs/dbraw/zinc/82/30/95/591823095.db2.gz CRVGFURSFMUIFP-RTBKNWGFSA-N 2 0 229.324 -0.312 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000884041428 591823235 /nfs/dbraw/zinc/82/32/35/591823235.db2.gz XWXCDFOMYROXIC-SECBINFHSA-N 2 0 231.340 -0.207 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000884041429 591823316 /nfs/dbraw/zinc/82/33/16/591823316.db2.gz XWXCDFOMYROXIC-VIFPVBQESA-N 2 0 231.340 -0.207 20 0 BBADRP CN1CCN(C(=O)[C@H]([NH3+])CC2CC2)[C@H](C[NH3+])C1 ZINC000884042044 591823709 /nfs/dbraw/zinc/82/37/09/591823709.db2.gz ONAOIXMMRGQIHY-GHMZBOCLSA-N 2 0 240.351 -0.785 20 0 BBADRP CN1CCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@H](C[NH3+])C1 ZINC000884042045 591823685 /nfs/dbraw/zinc/82/36/85/591823685.db2.gz ONAOIXMMRGQIHY-MNOVXSKESA-N 2 0 240.351 -0.785 20 0 BBADRP CN1CCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@@H](C[NH3+])C1 ZINC000884042046 584939963 /nfs/dbraw/zinc/93/99/63/584939963.db2.gz ONAOIXMMRGQIHY-QWRGUYRKSA-N 2 0 240.351 -0.785 20 0 BBADRP CN1CCN(C(=O)[C@H]([NH3+])CC2CC2)[C@@H](C[NH3+])C1 ZINC000884042047 584940022 /nfs/dbraw/zinc/94/00/22/584940022.db2.gz ONAOIXMMRGQIHY-WDEREUQCSA-N 2 0 240.351 -0.785 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCOC ZINC000884042740 591825209 /nfs/dbraw/zinc/82/52/09/591825209.db2.gz HGDYROIITKOGFK-NXEZZACHSA-N 2 0 231.340 -0.016 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCOC ZINC000884042741 591824606 /nfs/dbraw/zinc/82/46/06/591824606.db2.gz HGDYROIITKOGFK-UWVGGRQHSA-N 2 0 231.340 -0.016 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCOC ZINC000884042742 591824407 /nfs/dbraw/zinc/82/44/07/591824407.db2.gz HGDYROIITKOGFK-VHSXEESVSA-N 2 0 231.340 -0.016 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCOC ZINC000884042743 591824522 /nfs/dbraw/zinc/82/45/22/591824522.db2.gz HGDYROIITKOGFK-ZJUUUORDSA-N 2 0 231.340 -0.016 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884043081 591825106 /nfs/dbraw/zinc/82/51/06/591825106.db2.gz OAXGQCDHCYJDIR-GDPRMGEGSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884043082 591824977 /nfs/dbraw/zinc/82/49/77/591824977.db2.gz OAXGQCDHCYJDIR-INTQDDNPSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884043083 591824801 /nfs/dbraw/zinc/82/48/01/591824801.db2.gz OAXGQCDHCYJDIR-JMJZKYOTSA-N 2 0 241.335 -0.312 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884043084 591824507 /nfs/dbraw/zinc/82/45/07/591824507.db2.gz OAXGQCDHCYJDIR-LSJOCFKGSA-N 2 0 241.335 -0.312 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884195647 591872959 /nfs/dbraw/zinc/87/29/59/591872959.db2.gz UYUJAXVOIBLIFX-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884195648 591871423 /nfs/dbraw/zinc/87/14/23/591871423.db2.gz UYUJAXVOIBLIFX-MXWKQRLJSA-N 2 0 241.335 -0.297 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000884195990 591871640 /nfs/dbraw/zinc/87/16/40/591871640.db2.gz FEDGJPFAHIZVAX-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000884195991 591872986 /nfs/dbraw/zinc/87/29/86/591872986.db2.gz FEDGJPFAHIZVAX-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000884195992 591872492 /nfs/dbraw/zinc/87/24/92/591872492.db2.gz FEDGJPFAHIZVAX-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000884195993 591872926 /nfs/dbraw/zinc/87/29/26/591872926.db2.gz FEDGJPFAHIZVAX-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C[NH3+])OC ZINC000884222184 645870866 /nfs/dbraw/zinc/87/08/66/645870866.db2.gz KCQYOBPMTZVBET-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C[NH3+])OC ZINC000884222185 712644044 /nfs/dbraw/zinc/64/40/44/712644044.db2.gz KCQYOBPMTZVBET-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000884222657 645870661 /nfs/dbraw/zinc/87/06/61/645870661.db2.gz WMYKNYMMUGNUHR-AXFHLTTASA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000884222658 645870521 /nfs/dbraw/zinc/87/05/21/645870521.db2.gz WMYKNYMMUGNUHR-DCAQKATOSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000884222659 645870877 /nfs/dbraw/zinc/87/08/77/645870877.db2.gz WMYKNYMMUGNUHR-MXWKQRLJSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000884222660 645870459 /nfs/dbraw/zinc/87/04/59/645870459.db2.gz WMYKNYMMUGNUHR-VWYCJHECSA-N 2 0 243.351 -0.051 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000884233337 591876522 /nfs/dbraw/zinc/87/65/22/591876522.db2.gz OGWHINHIFWAYBQ-KKZNHRDASA-N 2 0 241.335 -0.299 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000884233338 591876729 /nfs/dbraw/zinc/87/67/29/591876729.db2.gz OGWHINHIFWAYBQ-NGZCFLSTSA-N 2 0 241.335 -0.299 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000884233339 591876265 /nfs/dbraw/zinc/87/62/65/591876265.db2.gz OGWHINHIFWAYBQ-QXEWZRGKSA-N 2 0 241.335 -0.299 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000884233340 591876944 /nfs/dbraw/zinc/87/69/44/591876944.db2.gz OGWHINHIFWAYBQ-YWVKMMECSA-N 2 0 241.335 -0.299 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000884233652 591876078 /nfs/dbraw/zinc/87/60/78/591876078.db2.gz UJEFELRCASVQLM-GDPRMGEGSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000884233653 591876159 /nfs/dbraw/zinc/87/61/59/591876159.db2.gz UJEFELRCASVQLM-IEBDPFPHSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000884233654 591876286 /nfs/dbraw/zinc/87/62/86/591876286.db2.gz UJEFELRCASVQLM-LSJOCFKGSA-N 2 0 241.335 -0.441 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000884233655 591876114 /nfs/dbraw/zinc/87/61/14/591876114.db2.gz UJEFELRCASVQLM-MIMYLULJSA-N 2 0 241.335 -0.441 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884237491 591876464 /nfs/dbraw/zinc/87/64/64/591876464.db2.gz DVESFIBJEDIKHO-GHMZBOCLSA-N 2 0 241.335 -0.297 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884237492 591876213 /nfs/dbraw/zinc/87/62/13/591876213.db2.gz DVESFIBJEDIKHO-MNOVXSKESA-N 2 0 241.335 -0.297 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000884237493 591876949 /nfs/dbraw/zinc/87/69/49/591876949.db2.gz DVESFIBJEDIKHO-QWRGUYRKSA-N 2 0 241.335 -0.297 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000884237494 591876509 /nfs/dbraw/zinc/87/65/09/591876509.db2.gz DVESFIBJEDIKHO-WDEREUQCSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884238323 591878312 /nfs/dbraw/zinc/87/83/12/591878312.db2.gz YZNZKWXDBFYAQC-BDAKNGLRSA-N 2 0 213.325 -0.057 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884238324 591877757 /nfs/dbraw/zinc/87/77/57/591877757.db2.gz YZNZKWXDBFYAQC-DTWKUNHWSA-N 2 0 213.325 -0.057 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884238325 591878363 /nfs/dbraw/zinc/87/83/63/591878363.db2.gz YZNZKWXDBFYAQC-IUCAKERBSA-N 2 0 213.325 -0.057 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884238326 591878298 /nfs/dbraw/zinc/87/82/98/591878298.db2.gz YZNZKWXDBFYAQC-RKDXNWHRSA-N 2 0 213.325 -0.057 20 0 BBADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC1C[NH2+]C1 ZINC000884241463 591877751 /nfs/dbraw/zinc/87/77/51/591877751.db2.gz CTPYFRRZJIAZAR-JTQLQIEISA-N 2 0 213.325 -0.044 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000884241534 591877889 /nfs/dbraw/zinc/87/78/89/591877889.db2.gz JTNCVPLCDKSTDT-SECBINFHSA-N 2 0 211.309 -0.432 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000884241535 591877755 /nfs/dbraw/zinc/87/77/55/591877755.db2.gz JTNCVPLCDKSTDT-VIFPVBQESA-N 2 0 211.309 -0.432 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884241949 591879709 /nfs/dbraw/zinc/87/97/09/591879709.db2.gz GRZCHPXVDJEAMA-JTQLQIEISA-N 2 0 243.351 -0.416 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884241950 591879607 /nfs/dbraw/zinc/87/96/07/591879607.db2.gz GRZCHPXVDJEAMA-SNVBAGLBSA-N 2 0 243.351 -0.416 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884242122 591878748 /nfs/dbraw/zinc/87/87/48/591878748.db2.gz MBKSGELYSJSDCN-JTQLQIEISA-N 2 0 229.324 -0.534 20 0 BBADRP COCC[NH2+]CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884242123 591879057 /nfs/dbraw/zinc/87/90/57/591879057.db2.gz MBKSGELYSJSDCN-SNVBAGLBSA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH2+]CCOC ZINC000884242272 591879540 /nfs/dbraw/zinc/87/95/40/591879540.db2.gz QUSRNHOJWVFUTG-NSHDSACASA-N 2 0 245.367 -0.027 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884242379 591879269 /nfs/dbraw/zinc/87/92/69/591879269.db2.gz VJSPWLRIBKAYLY-NXEZZACHSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])CC1CC1)C1CC1 ZINC000884242380 591879508 /nfs/dbraw/zinc/87/95/08/591879508.db2.gz VJSPWLRIBKAYLY-UWVGGRQHSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884242381 591878735 /nfs/dbraw/zinc/87/87/35/591878735.db2.gz VJSPWLRIBKAYLY-VHSXEESVSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884242382 591878648 /nfs/dbraw/zinc/87/86/48/591878648.db2.gz VJSPWLRIBKAYLY-ZJUUUORDSA-N 2 0 211.309 -0.033 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000884244667 591882298 /nfs/dbraw/zinc/88/22/98/591882298.db2.gz JJDHUFMHSBRYAX-AEJSXWLSSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000884244668 591881762 /nfs/dbraw/zinc/88/17/62/591881762.db2.gz JJDHUFMHSBRYAX-BBBLOLIVSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000884244669 591882450 /nfs/dbraw/zinc/88/24/50/591882450.db2.gz JJDHUFMHSBRYAX-GUBZILKMSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000884244670 591881592 /nfs/dbraw/zinc/88/15/92/591881592.db2.gz JJDHUFMHSBRYAX-UTLUCORTSA-N 2 0 229.324 -0.441 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000884245435 591881605 /nfs/dbraw/zinc/88/16/05/591881605.db2.gz WEAVBSJIZKXXLZ-CIUDSAMLSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000884245436 591882106 /nfs/dbraw/zinc/88/21/06/591882106.db2.gz WEAVBSJIZKXXLZ-HLTSFMKQSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000884245437 591882076 /nfs/dbraw/zinc/88/20/76/591882076.db2.gz WEAVBSJIZKXXLZ-VGMNWLOBSA-N 2 0 215.297 -0.844 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000884245438 591882260 /nfs/dbraw/zinc/88/22/60/591882260.db2.gz WEAVBSJIZKXXLZ-YIZRAAEISA-N 2 0 215.297 -0.844 20 0 BBADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCOC ZINC000884246548 591882335 /nfs/dbraw/zinc/88/23/35/591882335.db2.gz SRKCYDJTDJKCCE-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000884247611 591883339 /nfs/dbraw/zinc/88/33/39/591883339.db2.gz ARSNWDNDXOLRJP-MMWGEVLESA-N 2 0 241.335 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000884247612 591883386 /nfs/dbraw/zinc/88/33/86/591883386.db2.gz ARSNWDNDXOLRJP-NAKRPEOUSA-N 2 0 241.335 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000884247613 591883041 /nfs/dbraw/zinc/88/30/41/591883041.db2.gz ARSNWDNDXOLRJP-VLEAKVRGSA-N 2 0 241.335 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000884247614 591883262 /nfs/dbraw/zinc/88/32/62/591883262.db2.gz ARSNWDNDXOLRJP-ZDCRXTMVSA-N 2 0 241.335 -0.454 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884252419 591885649 /nfs/dbraw/zinc/88/56/49/591885649.db2.gz KBBCYQGNQPQVAM-NXEZZACHSA-N 2 0 241.335 -0.582 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884252420 591885159 /nfs/dbraw/zinc/88/51/59/591885159.db2.gz KBBCYQGNQPQVAM-UWVGGRQHSA-N 2 0 241.335 -0.582 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884252421 591885026 /nfs/dbraw/zinc/88/50/26/591885026.db2.gz KBBCYQGNQPQVAM-VHSXEESVSA-N 2 0 241.335 -0.582 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884252422 591885106 /nfs/dbraw/zinc/88/51/06/591885106.db2.gz KBBCYQGNQPQVAM-ZJUUUORDSA-N 2 0 241.335 -0.582 20 0 BBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884252689 591885727 /nfs/dbraw/zinc/88/57/27/591885727.db2.gz QCWHFODSMGFEHU-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884252690 591885310 /nfs/dbraw/zinc/88/53/10/591885310.db2.gz QCWHFODSMGFEHU-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884252707 591885320 /nfs/dbraw/zinc/88/53/20/591885320.db2.gz QMDGSKCIYXNWOS-NXEZZACHSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884252708 591885737 /nfs/dbraw/zinc/88/57/37/591885737.db2.gz QMDGSKCIYXNWOS-UWVGGRQHSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884252709 591885443 /nfs/dbraw/zinc/88/54/43/591885443.db2.gz QMDGSKCIYXNWOS-VHSXEESVSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884252710 591885225 /nfs/dbraw/zinc/88/52/25/591885225.db2.gz QMDGSKCIYXNWOS-ZJUUUORDSA-N 2 0 227.308 -0.700 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000884254128 591885391 /nfs/dbraw/zinc/88/53/91/591885391.db2.gz FJDVRWAZYDWSRK-CIUDSAMLSA-N 2 0 215.297 -0.926 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000884254129 591885709 /nfs/dbraw/zinc/88/57/09/591885709.db2.gz FJDVRWAZYDWSRK-HLTSFMKQSA-N 2 0 215.297 -0.926 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000884254130 591885362 /nfs/dbraw/zinc/88/53/62/591885362.db2.gz FJDVRWAZYDWSRK-VGMNWLOBSA-N 2 0 215.297 -0.926 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000884254131 591885742 /nfs/dbraw/zinc/88/57/42/591885742.db2.gz FJDVRWAZYDWSRK-YIZRAAEISA-N 2 0 215.297 -0.926 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000884254311 591885170 /nfs/dbraw/zinc/88/51/70/591885170.db2.gz IVVFETOOXVZFSM-GUBZILKMSA-N 2 0 229.324 -0.536 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000884254312 591885178 /nfs/dbraw/zinc/88/51/78/591885178.db2.gz IVVFETOOXVZFSM-KXUCPTDWSA-N 2 0 229.324 -0.536 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000884254313 591884269 /nfs/dbraw/zinc/88/42/69/591884269.db2.gz IVVFETOOXVZFSM-LPEHRKFASA-N 2 0 229.324 -0.536 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000884254314 591884203 /nfs/dbraw/zinc/88/42/03/591884203.db2.gz IVVFETOOXVZFSM-UTLUCORTSA-N 2 0 229.324 -0.536 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000884266199 591887867 /nfs/dbraw/zinc/88/78/67/591887867.db2.gz ITBLHRIGOZVCHT-LBPRGKRZSA-N 2 0 249.314 -0.120 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000884266731 591888839 /nfs/dbraw/zinc/88/88/39/591888839.db2.gz GOTAKWMADDUOMP-ZJUUUORDSA-N 2 0 229.324 -0.584 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000884266904 591888358 /nfs/dbraw/zinc/88/83/58/591888358.db2.gz MJPJHCMPITXXIV-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000884266905 591888390 /nfs/dbraw/zinc/88/83/90/591888390.db2.gz MJPJHCMPITXXIV-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000884267622 591888920 /nfs/dbraw/zinc/88/89/20/591888920.db2.gz JNULMCHHTMKMQX-CIUDSAMLSA-N 2 0 215.297 -0.654 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884267623 591888136 /nfs/dbraw/zinc/88/81/36/591888136.db2.gz JNULMCHHTMKMQX-HLTSFMKQSA-N 2 0 215.297 -0.654 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000884267624 591887980 /nfs/dbraw/zinc/88/79/80/591887980.db2.gz JNULMCHHTMKMQX-VGMNWLOBSA-N 2 0 215.297 -0.654 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000884267625 591888139 /nfs/dbraw/zinc/88/81/39/591888139.db2.gz JNULMCHHTMKMQX-YIZRAAEISA-N 2 0 215.297 -0.654 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000884268138 591888294 /nfs/dbraw/zinc/88/82/94/591888294.db2.gz WXURGPHBDJRKSP-AXFHLTTASA-N 2 0 241.335 -0.297 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000884268139 591888193 /nfs/dbraw/zinc/88/81/93/591888193.db2.gz WXURGPHBDJRKSP-OUAUKWLOSA-N 2 0 241.335 -0.297 20 0 BBADRP CC[C@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[C@H]1[NH3+] ZINC000884271221 645872964 /nfs/dbraw/zinc/87/29/64/645872964.db2.gz ZUIPDRGFRRROFL-AEJSXWLSSA-N 2 0 229.324 -0.454 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[C@H]1[NH3+] ZINC000884271222 645873070 /nfs/dbraw/zinc/87/30/70/645873070.db2.gz ZUIPDRGFRRROFL-BBBLOLIVSA-N 2 0 229.324 -0.454 20 0 BBADRP CC[C@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[C@@H]1[NH3+] ZINC000884271223 645873255 /nfs/dbraw/zinc/87/32/55/645873255.db2.gz ZUIPDRGFRRROFL-GUBZILKMSA-N 2 0 229.324 -0.454 20 0 BBADRP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)CC[C@@H]1[NH3+] ZINC000884271224 645873393 /nfs/dbraw/zinc/87/33/93/645873393.db2.gz ZUIPDRGFRRROFL-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000884271778 591890062 /nfs/dbraw/zinc/89/00/62/591890062.db2.gz KKWNJTWFDWWBIN-CIUDSAMLSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000884271779 591889504 /nfs/dbraw/zinc/88/95/04/591889504.db2.gz KKWNJTWFDWWBIN-HLTSFMKQSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000884271780 591889707 /nfs/dbraw/zinc/88/97/07/591889707.db2.gz KKWNJTWFDWWBIN-VGMNWLOBSA-N 2 0 215.297 -0.831 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000884271781 591890128 /nfs/dbraw/zinc/89/01/28/591890128.db2.gz KKWNJTWFDWWBIN-YIZRAAEISA-N 2 0 215.297 -0.831 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000884272430 591889415 /nfs/dbraw/zinc/88/94/15/591889415.db2.gz WXACGZLIOIZSIW-AEJSXWLSSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000884272431 591889867 /nfs/dbraw/zinc/88/98/67/591889867.db2.gz WXACGZLIOIZSIW-BBBLOLIVSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000884272432 591889554 /nfs/dbraw/zinc/88/95/54/591889554.db2.gz WXACGZLIOIZSIW-GUBZILKMSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000884272433 591889953 /nfs/dbraw/zinc/88/99/53/591889953.db2.gz WXACGZLIOIZSIW-UTLUCORTSA-N 2 0 229.324 -0.441 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000884273087 591890172 /nfs/dbraw/zinc/89/01/72/591890172.db2.gz JJOGRVGPRWTWCQ-KXUCPTDWSA-N 2 0 229.324 -0.393 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884276332 591891040 /nfs/dbraw/zinc/89/10/40/591891040.db2.gz MIBZZEBTXIBGQL-AXFHLTTASA-N 2 0 237.347 -0.090 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884276333 591891341 /nfs/dbraw/zinc/89/13/41/591891341.db2.gz MIBZZEBTXIBGQL-OUAUKWLOSA-N 2 0 237.347 -0.090 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884276459 591890518 /nfs/dbraw/zinc/89/05/18/591890518.db2.gz QAEQMTXPYUEUSM-AXFHLTTASA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884276460 591891258 /nfs/dbraw/zinc/89/12/58/591891258.db2.gz QAEQMTXPYUEUSM-OUAUKWLOSA-N 2 0 223.320 -0.208 20 0 BBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C[NH3+])OC ZINC000884282534 591893350 /nfs/dbraw/zinc/89/33/50/591893350.db2.gz KCBJCTWBBBTZLL-CIUDSAMLSA-N 2 0 233.287 -0.882 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000884286611 591893370 /nfs/dbraw/zinc/89/33/70/591893370.db2.gz HZCJIKDJIPOATK-AATLWQCWSA-N 2 0 229.324 -0.537 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000884286612 591893139 /nfs/dbraw/zinc/89/31/39/591893139.db2.gz HZCJIKDJIPOATK-DOLQZWNJSA-N 2 0 229.324 -0.537 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000884286613 591893917 /nfs/dbraw/zinc/89/39/17/591893917.db2.gz HZCJIKDJIPOATK-QCLAVDOMSA-N 2 0 229.324 -0.537 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000884286614 591893635 /nfs/dbraw/zinc/89/36/35/591893635.db2.gz HZCJIKDJIPOATK-XFWSIPNHSA-N 2 0 229.324 -0.537 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000884287080 591895071 /nfs/dbraw/zinc/89/50/71/591895071.db2.gz SHMZKLMWPOWYRS-CHWFTXMASA-N 2 0 243.351 -0.147 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000884287081 591894916 /nfs/dbraw/zinc/89/49/16/591894916.db2.gz SHMZKLMWPOWYRS-VPOLOUISSA-N 2 0 243.351 -0.147 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000884287082 591894924 /nfs/dbraw/zinc/89/49/24/591894924.db2.gz SHMZKLMWPOWYRS-XWLWVQCSSA-N 2 0 243.351 -0.147 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000884287083 591894576 /nfs/dbraw/zinc/89/45/76/591894576.db2.gz SHMZKLMWPOWYRS-ZRUFSTJUSA-N 2 0 243.351 -0.147 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000884293316 591895693 /nfs/dbraw/zinc/89/56/93/591895693.db2.gz ZYVQFZRRNRAWJP-GUBZILKMSA-N 2 0 229.299 -0.070 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000884293317 591895541 /nfs/dbraw/zinc/89/55/41/591895541.db2.gz ZYVQFZRRNRAWJP-LPEHRKFASA-N 2 0 229.299 -0.070 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000884300189 591899832 /nfs/dbraw/zinc/89/98/32/591899832.db2.gz RCNBVGMYDKWNKN-SECBINFHSA-N 2 0 229.324 -0.310 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000884300190 591899678 /nfs/dbraw/zinc/89/96/78/591899678.db2.gz RCNBVGMYDKWNKN-VIFPVBQESA-N 2 0 229.324 -0.310 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000884302551 591899389 /nfs/dbraw/zinc/89/93/89/591899389.db2.gz TUZZIQPMGYGPRP-GHMZBOCLSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000884302552 591899729 /nfs/dbraw/zinc/89/97/29/591899729.db2.gz TUZZIQPMGYGPRP-MNOVXSKESA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000884302553 591898766 /nfs/dbraw/zinc/89/87/66/591898766.db2.gz TUZZIQPMGYGPRP-QWRGUYRKSA-N 2 0 241.335 -0.392 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000884302554 591899691 /nfs/dbraw/zinc/89/96/91/591899691.db2.gz TUZZIQPMGYGPRP-WDEREUQCSA-N 2 0 241.335 -0.392 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303339 591899082 /nfs/dbraw/zinc/89/90/82/591899082.db2.gz MLKJQOVPLPIVBN-GARJFASQSA-N 2 0 241.335 -0.439 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303340 591899152 /nfs/dbraw/zinc/89/91/52/591899152.db2.gz MLKJQOVPLPIVBN-HBNTYKKESA-N 2 0 241.335 -0.439 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000884304147 591899747 /nfs/dbraw/zinc/89/97/47/591899747.db2.gz HPZLIAAKQSPQFQ-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000884304148 591899236 /nfs/dbraw/zinc/89/92/36/591899236.db2.gz HPZLIAAKQSPQFQ-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304230 591899782 /nfs/dbraw/zinc/89/97/82/591899782.db2.gz KLFKWBYAOJKQGK-MXWKQRLJSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304231 591899552 /nfs/dbraw/zinc/89/95/52/591899552.db2.gz KLFKWBYAOJKQGK-VWYCJHECSA-N 2 0 223.320 -0.066 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000884304661 591900422 /nfs/dbraw/zinc/90/04/22/591900422.db2.gz XCTQXJUECCPTIG-BDAKNGLRSA-N 2 0 229.324 -0.393 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000884304662 591900344 /nfs/dbraw/zinc/90/03/44/591900344.db2.gz XCTQXJUECCPTIG-DTWKUNHWSA-N 2 0 229.324 -0.393 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000884304663 591899399 /nfs/dbraw/zinc/89/93/99/591899399.db2.gz XCTQXJUECCPTIG-IUCAKERBSA-N 2 0 229.324 -0.393 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000884304664 591899807 /nfs/dbraw/zinc/89/98/07/591899807.db2.gz XCTQXJUECCPTIG-RKDXNWHRSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000884314554 591902086 /nfs/dbraw/zinc/90/20/86/591902086.db2.gz NBTWBRDHQFZAAD-AXFHLTTASA-N 2 0 243.351 -0.241 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000884314555 591902145 /nfs/dbraw/zinc/90/21/45/591902145.db2.gz NBTWBRDHQFZAAD-DCAQKATOSA-N 2 0 243.351 -0.241 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000884314556 591902203 /nfs/dbraw/zinc/90/22/03/591902203.db2.gz NBTWBRDHQFZAAD-MXWKQRLJSA-N 2 0 243.351 -0.241 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000884314557 591901315 /nfs/dbraw/zinc/90/13/15/591901315.db2.gz NBTWBRDHQFZAAD-VWYCJHECSA-N 2 0 243.351 -0.241 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000884325615 591905186 /nfs/dbraw/zinc/90/51/86/591905186.db2.gz VZCNYQWTJDUHKL-LLVKDONJSA-N 2 0 243.351 -0.097 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000884325616 591903607 /nfs/dbraw/zinc/90/36/07/591903607.db2.gz VZCNYQWTJDUHKL-NSHDSACASA-N 2 0 243.351 -0.097 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000884336601 591904713 /nfs/dbraw/zinc/90/47/13/591904713.db2.gz TYOLOUZBRPCMGA-GHMZBOCLSA-N 2 0 243.351 -0.016 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000884336602 591904864 /nfs/dbraw/zinc/90/48/64/591904864.db2.gz TYOLOUZBRPCMGA-MNOVXSKESA-N 2 0 243.351 -0.016 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000884336603 591904300 /nfs/dbraw/zinc/90/43/00/591904300.db2.gz TYOLOUZBRPCMGA-QWRGUYRKSA-N 2 0 243.351 -0.016 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000884336604 591905046 /nfs/dbraw/zinc/90/50/46/591905046.db2.gz TYOLOUZBRPCMGA-WDEREUQCSA-N 2 0 243.351 -0.016 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000884338351 591905725 /nfs/dbraw/zinc/90/57/25/591905725.db2.gz FRWFTJDKIIYOCW-BDAKNGLRSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000884338352 591905457 /nfs/dbraw/zinc/90/54/57/591905457.db2.gz FRWFTJDKIIYOCW-DTWKUNHWSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000884338353 591905633 /nfs/dbraw/zinc/90/56/33/591905633.db2.gz FRWFTJDKIIYOCW-IUCAKERBSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000884338354 591905502 /nfs/dbraw/zinc/90/55/02/591905502.db2.gz FRWFTJDKIIYOCW-RKDXNWHRSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000884338797 591905766 /nfs/dbraw/zinc/90/57/66/591905766.db2.gz SJEXKGPPFSQVPN-NXEZZACHSA-N 2 0 229.324 -0.454 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000884338798 591905536 /nfs/dbraw/zinc/90/55/36/591905536.db2.gz SJEXKGPPFSQVPN-UWVGGRQHSA-N 2 0 229.324 -0.454 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000884338799 591905945 /nfs/dbraw/zinc/90/59/45/591905945.db2.gz SJEXKGPPFSQVPN-VHSXEESVSA-N 2 0 229.324 -0.454 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000884338800 591905784 /nfs/dbraw/zinc/90/57/84/591905784.db2.gz SJEXKGPPFSQVPN-ZJUUUORDSA-N 2 0 229.324 -0.454 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884339099 591905743 /nfs/dbraw/zinc/90/57/43/591905743.db2.gz BUGYJYHMMTWIHU-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884339100 591905567 /nfs/dbraw/zinc/90/55/67/591905567.db2.gz BUGYJYHMMTWIHU-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884339101 591906029 /nfs/dbraw/zinc/90/60/29/591906029.db2.gz BUGYJYHMMTWIHU-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884339102 591905841 /nfs/dbraw/zinc/90/58/41/591905841.db2.gz BUGYJYHMMTWIHU-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884339257 591906966 /nfs/dbraw/zinc/90/69/66/591906966.db2.gz IJKXLJWQTSYECV-MNOVXSKESA-N 2 0 243.351 -0.275 20 0 BBADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884339258 591906713 /nfs/dbraw/zinc/90/67/13/591906713.db2.gz IJKXLJWQTSYECV-QWRGUYRKSA-N 2 0 243.351 -0.275 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884339853 591906986 /nfs/dbraw/zinc/90/69/86/591906986.db2.gz YPVWMAAGNORTOU-NXEZZACHSA-N 2 0 241.335 -0.663 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884339854 591906723 /nfs/dbraw/zinc/90/67/23/591906723.db2.gz YPVWMAAGNORTOU-UWVGGRQHSA-N 2 0 241.335 -0.663 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884339855 591906365 /nfs/dbraw/zinc/90/63/65/591906365.db2.gz YPVWMAAGNORTOU-VHSXEESVSA-N 2 0 241.335 -0.663 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884339856 591907076 /nfs/dbraw/zinc/90/70/76/591907076.db2.gz YPVWMAAGNORTOU-ZJUUUORDSA-N 2 0 241.335 -0.663 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000884340623 591906727 /nfs/dbraw/zinc/90/67/27/591906727.db2.gz LOZHJMSELAFKIM-AEJSXWLSSA-N 2 0 229.324 -0.597 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000884340624 591906260 /nfs/dbraw/zinc/90/62/60/591906260.db2.gz LOZHJMSELAFKIM-BBBLOLIVSA-N 2 0 229.324 -0.597 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000884340625 591906841 /nfs/dbraw/zinc/90/68/41/591906841.db2.gz LOZHJMSELAFKIM-GUBZILKMSA-N 2 0 229.324 -0.597 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000884340626 591906565 /nfs/dbraw/zinc/90/65/65/591906565.db2.gz LOZHJMSELAFKIM-UTLUCORTSA-N 2 0 229.324 -0.597 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CCCO1 ZINC000884342095 591906827 /nfs/dbraw/zinc/90/68/27/591906827.db2.gz PXLKVZXZCGAFLX-GHMZBOCLSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCCO1 ZINC000884342096 591906437 /nfs/dbraw/zinc/90/64/37/591906437.db2.gz PXLKVZXZCGAFLX-MNOVXSKESA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCCO1 ZINC000884342097 591907102 /nfs/dbraw/zinc/90/71/02/591907102.db2.gz PXLKVZXZCGAFLX-QWRGUYRKSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CCCO1 ZINC000884342098 591906935 /nfs/dbraw/zinc/90/69/35/591906935.db2.gz PXLKVZXZCGAFLX-WDEREUQCSA-N 2 0 241.335 -0.310 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000884344871 591908542 /nfs/dbraw/zinc/90/85/42/591908542.db2.gz RRCYCMOFBJEJDW-GXSJLCMTSA-N 2 0 227.308 -0.685 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000884344872 591908783 /nfs/dbraw/zinc/90/87/83/591908783.db2.gz RRCYCMOFBJEJDW-ONGXEEELSA-N 2 0 227.308 -0.685 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CSCN1 ZINC000884347693 591908834 /nfs/dbraw/zinc/90/88/34/591908834.db2.gz BJXVWXFOMKDNSD-XLPZGREQSA-N 2 0 229.349 -0.109 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347796 591909102 /nfs/dbraw/zinc/90/91/02/591909102.db2.gz GLTWVEJZOARNHC-BDAKNGLRSA-N 2 0 229.324 -0.536 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347797 591908821 /nfs/dbraw/zinc/90/88/21/591908821.db2.gz GLTWVEJZOARNHC-DTWKUNHWSA-N 2 0 229.324 -0.536 20 0 BBADRP COCC[NH2+]CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347798 591908729 /nfs/dbraw/zinc/90/87/29/591908729.db2.gz GLTWVEJZOARNHC-IUCAKERBSA-N 2 0 229.324 -0.536 20 0 BBADRP COCC[NH2+]CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347799 591908426 /nfs/dbraw/zinc/90/84/26/591908426.db2.gz GLTWVEJZOARNHC-RKDXNWHRSA-N 2 0 229.324 -0.536 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000884348003 591910203 /nfs/dbraw/zinc/91/02/03/591910203.db2.gz LXDWGHXMXQXERI-CIUDSAMLSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000884348004 591909756 /nfs/dbraw/zinc/90/97/56/591909756.db2.gz LXDWGHXMXQXERI-DJLDLDEBSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000884348005 591909974 /nfs/dbraw/zinc/90/99/74/591909974.db2.gz LXDWGHXMXQXERI-HLTSFMKQSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[C@H](NC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1[NH3+] ZINC000884348006 591909570 /nfs/dbraw/zinc/90/95/70/591909570.db2.gz LXDWGHXMXQXERI-HRDYMLBCSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000884348039 591909737 /nfs/dbraw/zinc/90/97/37/591909737.db2.gz MLYLUUCHHIOLAM-FYBVGQRMSA-N 2 0 229.299 -0.070 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000884348040 591909650 /nfs/dbraw/zinc/90/96/50/591909650.db2.gz MLYLUUCHHIOLAM-SOCHQFKDSA-N 2 0 229.299 -0.070 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000884348041 591909872 /nfs/dbraw/zinc/90/98/72/591909872.db2.gz MLYLUUCHHIOLAM-VHSKPIJISA-N 2 0 229.299 -0.070 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000884348042 591909933 /nfs/dbraw/zinc/90/99/33/591909933.db2.gz MLYLUUCHHIOLAM-XLDPMVHQSA-N 2 0 229.299 -0.070 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000884348210 591910190 /nfs/dbraw/zinc/91/01/90/591910190.db2.gz QTRLACREFGHYCS-AEJSXWLSSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000884348211 591909842 /nfs/dbraw/zinc/90/98/42/591909842.db2.gz QTRLACREFGHYCS-BBBLOLIVSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000884348212 591909951 /nfs/dbraw/zinc/90/99/51/591909951.db2.gz QTRLACREFGHYCS-IVZWLZJFSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000884348213 591910066 /nfs/dbraw/zinc/91/00/66/591910066.db2.gz QTRLACREFGHYCS-OPRDCNLKSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000884348220 591909794 /nfs/dbraw/zinc/90/97/94/591909794.db2.gz QZDBYBNSYPQICR-DJLDLDEBSA-N 2 0 227.308 -0.783 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000884348221 591909561 /nfs/dbraw/zinc/90/95/61/591909561.db2.gz QZDBYBNSYPQICR-HLTSFMKQSA-N 2 0 227.308 -0.783 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000884348222 591910112 /nfs/dbraw/zinc/91/01/12/591910112.db2.gz QZDBYBNSYPQICR-IWSPIJDZSA-N 2 0 227.308 -0.783 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000884348223 591909696 /nfs/dbraw/zinc/90/96/96/591909696.db2.gz QZDBYBNSYPQICR-YIZRAAEISA-N 2 0 227.308 -0.783 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)COCC[NH3+] ZINC000884348386 591909536 /nfs/dbraw/zinc/90/95/36/591909536.db2.gz YAYGHBHIFBHGOW-HTQZYQBOSA-N 2 0 215.297 -0.796 20 0 BBADRP CC1(C)[C@H](NC(=O)COCC[NH3+])C[C@@H]1[NH3+] ZINC000884348387 591909821 /nfs/dbraw/zinc/90/98/21/591909821.db2.gz YAYGHBHIFBHGOW-JGVFFNPUSA-N 2 0 215.297 -0.796 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)COCC[NH3+] ZINC000884348388 591909606 /nfs/dbraw/zinc/90/96/06/591909606.db2.gz YAYGHBHIFBHGOW-SFYZADRCSA-N 2 0 215.297 -0.796 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)COCC[NH3+] ZINC000884348389 591910033 /nfs/dbraw/zinc/91/00/33/591910033.db2.gz YAYGHBHIFBHGOW-YUMQZZPRSA-N 2 0 215.297 -0.796 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884357625 591913181 /nfs/dbraw/zinc/91/31/81/591913181.db2.gz BOWXXSWUSPDIPF-CIUDSAMLSA-N 2 0 229.324 -0.408 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357626 591912727 /nfs/dbraw/zinc/91/27/27/591912727.db2.gz BOWXXSWUSPDIPF-DJLDLDEBSA-N 2 0 229.324 -0.408 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884357627 591912538 /nfs/dbraw/zinc/91/25/38/591912538.db2.gz BOWXXSWUSPDIPF-XHNCKOQMSA-N 2 0 229.324 -0.408 20 0 BBADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357628 591910634 /nfs/dbraw/zinc/91/06/34/591910634.db2.gz BOWXXSWUSPDIPF-YIZRAAEISA-N 2 0 229.324 -0.408 20 0 BBADRP CC1(C)[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC000884358484 591912440 /nfs/dbraw/zinc/91/24/40/591912440.db2.gz QZDBYBNSYPQICR-HRDYMLBCSA-N 2 0 227.308 -0.783 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000884358485 591912720 /nfs/dbraw/zinc/91/27/20/591912720.db2.gz QZDBYBNSYPQICR-VGMNWLOBSA-N 2 0 227.308 -0.783 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000884358587 591912673 /nfs/dbraw/zinc/91/26/73/591912673.db2.gz SXKIESNQSBYXJI-BDAKNGLRSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[C@H](NC(=O)C[NH2+]C2CC2)C[C@@H]1[NH3+] ZINC000884358588 591912863 /nfs/dbraw/zinc/91/28/63/591912863.db2.gz SXKIESNQSBYXJI-DTWKUNHWSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000884358589 591912502 /nfs/dbraw/zinc/91/25/02/591912502.db2.gz SXKIESNQSBYXJI-IUCAKERBSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000884358590 591913123 /nfs/dbraw/zinc/91/31/23/591913123.db2.gz SXKIESNQSBYXJI-RKDXNWHRSA-N 2 0 211.309 -0.020 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000884359281 591913840 /nfs/dbraw/zinc/91/38/40/591913840.db2.gz GZGOROKZGKRLER-AEJSXWLSSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000884359282 591913490 /nfs/dbraw/zinc/91/34/90/591913490.db2.gz GZGOROKZGKRLER-BBBLOLIVSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000884359283 591913863 /nfs/dbraw/zinc/91/38/63/591913863.db2.gz GZGOROKZGKRLER-IVZWLZJFSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000884359284 584951258 /nfs/dbraw/zinc/95/12/58/584951258.db2.gz GZGOROKZGKRLER-OPRDCNLKSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000884359408 591913818 /nfs/dbraw/zinc/91/38/18/591913818.db2.gz JIUJQODRKLWSNG-CVPUBMOQSA-N 2 0 223.320 -0.306 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000884359409 591913416 /nfs/dbraw/zinc/91/34/16/591913416.db2.gz JIUJQODRKLWSNG-KGDYZURWSA-N 2 0 223.320 -0.306 20 0 BBADRP CC1(C)[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1[NH3+] ZINC000884359410 591913914 /nfs/dbraw/zinc/91/39/14/591913914.db2.gz JIUJQODRKLWSNG-SQXHDICFSA-N 2 0 223.320 -0.306 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000884359411 591913985 /nfs/dbraw/zinc/91/39/85/591913985.db2.gz JIUJQODRKLWSNG-ZOZBQHSOSA-N 2 0 223.320 -0.306 20 0 BBADRP CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@@H]1[NH3+] ZINC000884360089 591914001 /nfs/dbraw/zinc/91/40/01/591914001.db2.gz UPIOGRUGYCYJIL-FHNUBNKASA-N 2 0 223.320 -0.021 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000884360090 591913644 /nfs/dbraw/zinc/91/36/44/591913644.db2.gz UPIOGRUGYCYJIL-HOTMZDKISA-N 2 0 223.320 -0.021 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000884360091 591913990 /nfs/dbraw/zinc/91/39/90/591913990.db2.gz UPIOGRUGYCYJIL-SPFKKGSWSA-N 2 0 223.320 -0.021 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000884360092 591913677 /nfs/dbraw/zinc/91/36/77/591913677.db2.gz UPIOGRUGYCYJIL-ZJDVBMNYSA-N 2 0 223.320 -0.021 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000884361021 591914919 /nfs/dbraw/zinc/91/49/19/591914919.db2.gz KIRQTIJEPFCTMQ-BZNPZCIMSA-N 2 0 211.309 -0.034 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000884361022 591914535 /nfs/dbraw/zinc/91/45/35/591914535.db2.gz KIRQTIJEPFCTMQ-KZVJFYERSA-N 2 0 211.309 -0.034 20 0 BBADRP CC1(C)[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000884361023 591914643 /nfs/dbraw/zinc/91/46/43/591914643.db2.gz KIRQTIJEPFCTMQ-UYXSQOIJSA-N 2 0 211.309 -0.034 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000884361024 591914871 /nfs/dbraw/zinc/91/48/71/591914871.db2.gz KIRQTIJEPFCTMQ-XAVMHZPKSA-N 2 0 211.309 -0.034 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884361663 591915038 /nfs/dbraw/zinc/91/50/38/591915038.db2.gz WXYVKGJUORLLNS-AEJSXWLSSA-N 2 0 242.367 -0.493 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884361664 591914417 /nfs/dbraw/zinc/91/44/17/591914417.db2.gz WXYVKGJUORLLNS-GUBZILKMSA-N 2 0 242.367 -0.493 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884361665 591914435 /nfs/dbraw/zinc/91/44/35/591914435.db2.gz WXYVKGJUORLLNS-IVZWLZJFSA-N 2 0 242.367 -0.493 20 0 BBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884361666 591914517 /nfs/dbraw/zinc/91/45/17/591914517.db2.gz WXYVKGJUORLLNS-LPEHRKFASA-N 2 0 242.367 -0.493 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884362766 591915849 /nfs/dbraw/zinc/91/58/49/591915849.db2.gz QSYGSLZSIJFDJD-AEJSXWLSSA-N 2 0 243.351 -0.019 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884362767 591915977 /nfs/dbraw/zinc/91/59/77/591915977.db2.gz QSYGSLZSIJFDJD-GUBZILKMSA-N 2 0 243.351 -0.019 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884362768 591915239 /nfs/dbraw/zinc/91/52/39/591915239.db2.gz QSYGSLZSIJFDJD-IVZWLZJFSA-N 2 0 243.351 -0.019 20 0 BBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884362769 591915377 /nfs/dbraw/zinc/91/53/77/591915377.db2.gz QSYGSLZSIJFDJD-LPEHRKFASA-N 2 0 243.351 -0.019 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000884363444 591915989 /nfs/dbraw/zinc/91/59/89/591915989.db2.gz CRRKFHGJOFJHMF-JLIMGVALSA-N 2 0 241.335 -0.408 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000884363445 591915283 /nfs/dbraw/zinc/91/52/83/591915283.db2.gz CRRKFHGJOFJHMF-KYXWUPHJSA-N 2 0 241.335 -0.408 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000884363446 591916013 /nfs/dbraw/zinc/91/60/13/591916013.db2.gz CRRKFHGJOFJHMF-QEYWKRMJSA-N 2 0 241.335 -0.408 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000884363447 591916637 /nfs/dbraw/zinc/91/66/37/591916637.db2.gz CRRKFHGJOFJHMF-RGOKHQFPSA-N 2 0 241.335 -0.408 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000884363715 591916446 /nfs/dbraw/zinc/91/64/46/591916446.db2.gz HONDLODREGJNIR-HOTUBEGUSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000884363716 591916519 /nfs/dbraw/zinc/91/65/19/591916519.db2.gz HONDLODREGJNIR-KBVBSXBZSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000884363717 591916487 /nfs/dbraw/zinc/91/64/87/591916487.db2.gz HONDLODREGJNIR-VDDIYKPWSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC000884363718 591916509 /nfs/dbraw/zinc/91/65/09/591916509.db2.gz HONDLODREGJNIR-YGOYTEALSA-N 2 0 241.335 -0.393 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000884363897 591916659 /nfs/dbraw/zinc/91/66/59/591916659.db2.gz KIRQTIJEPFCTMQ-BGZDPUMWSA-N 2 0 211.309 -0.034 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000884363898 591916664 /nfs/dbraw/zinc/91/66/64/591916664.db2.gz KIRQTIJEPFCTMQ-FNCVBFRFSA-N 2 0 211.309 -0.034 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000884363899 591916724 /nfs/dbraw/zinc/91/67/24/591916724.db2.gz KIRQTIJEPFCTMQ-JBDRJPRFSA-N 2 0 211.309 -0.034 20 0 BBADRP CC1(C)[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000884363900 591916716 /nfs/dbraw/zinc/91/67/16/591916716.db2.gz KIRQTIJEPFCTMQ-XSPKLOCKSA-N 2 0 211.309 -0.034 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000884363933 591916541 /nfs/dbraw/zinc/91/65/41/591916541.db2.gz KZALLABNPGQDPD-JQCXWYLXSA-N 2 0 227.308 -0.655 20 0 BBADRP CC1(C)[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@@H]1[NH3+] ZINC000884363934 591916838 /nfs/dbraw/zinc/91/68/38/591916838.db2.gz KZALLABNPGQDPD-RBXMUDONSA-N 2 0 227.308 -0.655 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000884363935 591916791 /nfs/dbraw/zinc/91/67/91/591916791.db2.gz KZALLABNPGQDPD-UYXSQOIJSA-N 2 0 227.308 -0.655 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000884363936 591916389 /nfs/dbraw/zinc/91/63/89/591916389.db2.gz KZALLABNPGQDPD-XSPKLOCKSA-N 2 0 227.308 -0.655 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884364887 591916826 /nfs/dbraw/zinc/91/68/26/591916826.db2.gz ZZBNUVYDZDKNKQ-CIUDSAMLSA-N 2 0 228.340 -0.883 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364888 591916672 /nfs/dbraw/zinc/91/66/72/591916672.db2.gz ZZBNUVYDZDKNKQ-DJLDLDEBSA-N 2 0 228.340 -0.883 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884364889 591916819 /nfs/dbraw/zinc/91/68/19/591916819.db2.gz ZZBNUVYDZDKNKQ-XHNCKOQMSA-N 2 0 228.340 -0.883 20 0 BBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364890 591916710 /nfs/dbraw/zinc/91/67/10/591916710.db2.gz ZZBNUVYDZDKNKQ-YIZRAAEISA-N 2 0 228.340 -0.883 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884365347 591917152 /nfs/dbraw/zinc/91/71/52/591917152.db2.gz HVWBOBADLCLJJV-BIIVOSGPSA-N 2 0 215.297 -0.798 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884365348 591917318 /nfs/dbraw/zinc/91/73/18/591917318.db2.gz HVWBOBADLCLJJV-FXQIFTODSA-N 2 0 215.297 -0.798 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365349 591917679 /nfs/dbraw/zinc/91/76/79/591917679.db2.gz HVWBOBADLCLJJV-RNJXMRFFSA-N 2 0 215.297 -0.798 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365350 591917269 /nfs/dbraw/zinc/91/72/69/591917269.db2.gz HVWBOBADLCLJJV-XLPZGREQSA-N 2 0 215.297 -0.798 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884365547 591917130 /nfs/dbraw/zinc/91/71/30/591917130.db2.gz KRGFOOCDIYHBQK-CIUDSAMLSA-N 2 0 229.324 -0.408 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365548 591917184 /nfs/dbraw/zinc/91/71/84/591917184.db2.gz KRGFOOCDIYHBQK-DJLDLDEBSA-N 2 0 229.324 -0.408 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884365549 591917097 /nfs/dbraw/zinc/91/70/97/591917097.db2.gz KRGFOOCDIYHBQK-XHNCKOQMSA-N 2 0 229.324 -0.408 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365550 591915883 /nfs/dbraw/zinc/91/58/83/591915883.db2.gz KRGFOOCDIYHBQK-YIZRAAEISA-N 2 0 229.324 -0.408 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000884366449 591917231 /nfs/dbraw/zinc/91/72/31/591917231.db2.gz ZURNAPSIZWNNHZ-NXEZZACHSA-N 2 0 240.351 -0.866 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000884366450 591917428 /nfs/dbraw/zinc/91/74/28/591917428.db2.gz ZURNAPSIZWNNHZ-UWVGGRQHSA-N 2 0 240.351 -0.866 20 0 BBADRP CC1(C)[C@H](NC(=O)CN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000884366451 591917660 /nfs/dbraw/zinc/91/76/60/591917660.db2.gz ZURNAPSIZWNNHZ-VHSXEESVSA-N 2 0 240.351 -0.866 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000884366452 591917649 /nfs/dbraw/zinc/91/76/49/591917649.db2.gz ZURNAPSIZWNNHZ-ZJUUUORDSA-N 2 0 240.351 -0.866 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369798 645874859 /nfs/dbraw/zinc/87/48/59/645874859.db2.gz PZZJUPJOBWJWAQ-KXUCPTDWSA-N 2 0 229.324 -0.264 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369799 645874511 /nfs/dbraw/zinc/87/45/11/645874511.db2.gz PZZJUPJOBWJWAQ-OPRDCNLKSA-N 2 0 229.324 -0.264 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000884372360 645874499 /nfs/dbraw/zinc/87/44/99/645874499.db2.gz LSEYHRJMLUCTLX-CSMHCCOUSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000884372361 645874868 /nfs/dbraw/zinc/87/48/68/645874868.db2.gz LSEYHRJMLUCTLX-FXQIFTODSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000884372362 645874733 /nfs/dbraw/zinc/87/47/33/645874733.db2.gz LSEYHRJMLUCTLX-PRJMDXOYSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000884372363 645874289 /nfs/dbraw/zinc/87/42/89/645874289.db2.gz LSEYHRJMLUCTLX-RNJXMRFFSA-N 2 0 203.286 -0.798 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCCCCC[NH3+] ZINC000884375251 591919404 /nfs/dbraw/zinc/91/94/04/591919404.db2.gz RKKTZPWKAMPCLR-VIFPVBQESA-N 2 0 217.313 -0.405 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000884376692 591920133 /nfs/dbraw/zinc/92/01/33/591920133.db2.gz OPRSIBHXIPIIKD-UWVGGRQHSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000884376693 591920186 /nfs/dbraw/zinc/92/01/86/591920186.db2.gz OPRSIBHXIPIIKD-VHSXEESVSA-N 2 0 241.335 -0.249 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000884382340 591920435 /nfs/dbraw/zinc/92/04/35/591920435.db2.gz HGGURADCDAMFEL-NHCYSSNCSA-N 2 0 241.335 -0.453 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000884385013 591922068 /nfs/dbraw/zinc/92/20/68/591922068.db2.gz CALIXHIVOPYNHH-AXFHLTTASA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000884385014 591921953 /nfs/dbraw/zinc/92/19/53/591921953.db2.gz CALIXHIVOPYNHH-DCAQKATOSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000884385015 591921758 /nfs/dbraw/zinc/92/17/58/591921758.db2.gz CALIXHIVOPYNHH-MXWKQRLJSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000884385016 591922384 /nfs/dbraw/zinc/92/23/84/591922384.db2.gz CALIXHIVOPYNHH-VWYCJHECSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000884388661 591921836 /nfs/dbraw/zinc/92/18/36/591921836.db2.gz CLNOFAYJHRXQEK-JTQLQIEISA-N 2 0 229.324 -0.534 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000884388820 591922054 /nfs/dbraw/zinc/92/20/54/591922054.db2.gz HYNRDHLNPPDULK-NSHDSACASA-N 2 0 243.351 -0.096 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000884403334 591926013 /nfs/dbraw/zinc/92/60/13/591926013.db2.gz BFMLNXKNBHUDJF-QMMMGPOBSA-N 2 0 215.297 -0.652 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000884403548 591925615 /nfs/dbraw/zinc/92/56/15/591925615.db2.gz IVTKUXCDYADKKX-SECBINFHSA-N 2 0 229.324 -0.262 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000884403549 591925589 /nfs/dbraw/zinc/92/55/89/591925589.db2.gz IVTKUXCDYADKKX-VIFPVBQESA-N 2 0 229.324 -0.262 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000884412503 591927790 /nfs/dbraw/zinc/92/77/90/591927790.db2.gz RZXNGIVERIDMHP-OUAUKWLOSA-N 2 0 243.351 -0.064 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000884412504 591927941 /nfs/dbraw/zinc/92/79/41/591927941.db2.gz RZXNGIVERIDMHP-VWYCJHECSA-N 2 0 243.351 -0.064 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000884412669 591928149 /nfs/dbraw/zinc/92/81/49/591928149.db2.gz XRMVDXBCAJYFKS-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884415710 591928263 /nfs/dbraw/zinc/92/82/63/591928263.db2.gz DNHINFWXFOWGIF-SQLBVSGCSA-N 2 0 223.320 -0.018 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884415711 591928059 /nfs/dbraw/zinc/92/80/59/591928059.db2.gz DNHINFWXFOWGIF-YZRBJQDESA-N 2 0 223.320 -0.018 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000884415819 591928323 /nfs/dbraw/zinc/92/83/23/591928323.db2.gz JBCHUSUEDKRHGS-NXEZZACHSA-N 2 0 231.340 -0.160 20 0 BBADRP COCC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000884415820 591927680 /nfs/dbraw/zinc/92/76/80/591927680.db2.gz JBCHUSUEDKRHGS-ZJUUUORDSA-N 2 0 231.340 -0.160 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000884415917 591927772 /nfs/dbraw/zinc/92/77/72/591927772.db2.gz LQJOQGRAVSORJR-BDAKNGLRSA-N 2 0 217.313 -0.550 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884420204 591930065 /nfs/dbraw/zinc/93/00/65/591930065.db2.gz MGOGWNDFGGHGJZ-BDAKNGLRSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884420205 591930185 /nfs/dbraw/zinc/93/01/85/591930185.db2.gz MGOGWNDFGGHGJZ-DTWKUNHWSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884420206 591930070 /nfs/dbraw/zinc/93/00/70/591930070.db2.gz MGOGWNDFGGHGJZ-IUCAKERBSA-N 2 0 213.325 -0.044 20 0 BBADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884420207 591929670 /nfs/dbraw/zinc/92/96/70/591929670.db2.gz MGOGWNDFGGHGJZ-RKDXNWHRSA-N 2 0 213.325 -0.044 20 0 BBADRP C[C@@]1(NC(=O)[C@@H]([NH3+])CC2CC2)CC[NH2+]C1 ZINC000884423071 591929887 /nfs/dbraw/zinc/92/98/87/591929887.db2.gz NFSMIPAZQDSPTE-GXSJLCMTSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@]1(NC(=O)[C@H]([NH3+])CC2CC2)CC[NH2+]C1 ZINC000884423072 591929664 /nfs/dbraw/zinc/92/96/64/591929664.db2.gz NFSMIPAZQDSPTE-KOLCDFICSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@@]1(NC(=O)[C@H]([NH3+])CC2CC2)CC[NH2+]C1 ZINC000884423073 591929820 /nfs/dbraw/zinc/92/98/20/591929820.db2.gz NFSMIPAZQDSPTE-MWLCHTKSSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@]1(NC(=O)[C@@H]([NH3+])CC2CC2)CC[NH2+]C1 ZINC000884423074 591929837 /nfs/dbraw/zinc/92/98/37/591929837.db2.gz NFSMIPAZQDSPTE-ONGXEEELSA-N 2 0 211.309 -0.018 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000884426122 591930677 /nfs/dbraw/zinc/93/06/77/591930677.db2.gz BAVLSNQEQSXOFY-JBLDHEPKSA-N 2 0 241.335 -0.310 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000884426123 591930802 /nfs/dbraw/zinc/93/08/02/591930802.db2.gz BAVLSNQEQSXOFY-JFGNBEQYSA-N 2 0 241.335 -0.310 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000884426124 591930870 /nfs/dbraw/zinc/93/08/70/591930870.db2.gz BAVLSNQEQSXOFY-NHCYSSNCSA-N 2 0 241.335 -0.310 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000884426125 591930674 /nfs/dbraw/zinc/93/06/74/591930674.db2.gz BAVLSNQEQSXOFY-SCVCMEIPSA-N 2 0 241.335 -0.310 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000884426451 591930831 /nfs/dbraw/zinc/93/08/31/591930831.db2.gz MOCUSIWFAXWRPN-ATZCPNFKSA-N 2 0 227.308 -0.700 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000884426452 591930894 /nfs/dbraw/zinc/93/08/94/591930894.db2.gz MOCUSIWFAXWRPN-QXEWZRGKSA-N 2 0 227.308 -0.700 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000884426453 591931101 /nfs/dbraw/zinc/93/11/01/591931101.db2.gz MOCUSIWFAXWRPN-WCABBAIRSA-N 2 0 227.308 -0.700 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000884426454 591930526 /nfs/dbraw/zinc/93/05/26/591930526.db2.gz MOCUSIWFAXWRPN-YWVKMMECSA-N 2 0 227.308 -0.700 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000884430603 591931735 /nfs/dbraw/zinc/93/17/35/591931735.db2.gz WJZULYKTONZYCJ-UWVGGRQHSA-N 2 0 229.324 -0.584 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000884430604 591931470 /nfs/dbraw/zinc/93/14/70/591931470.db2.gz WJZULYKTONZYCJ-ZJUUUORDSA-N 2 0 229.324 -0.584 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000884430613 591931989 /nfs/dbraw/zinc/93/19/89/591931989.db2.gz WVOWCPXVZFNLDH-GHMZBOCLSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000884430614 591931660 /nfs/dbraw/zinc/93/16/60/591931660.db2.gz WVOWCPXVZFNLDH-MNOVXSKESA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000884430615 591932002 /nfs/dbraw/zinc/93/20/02/591932002.db2.gz WVOWCPXVZFNLDH-QWRGUYRKSA-N 2 0 243.351 -0.193 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000884430616 591930667 /nfs/dbraw/zinc/93/06/67/591930667.db2.gz WVOWCPXVZFNLDH-WDEREUQCSA-N 2 0 243.351 -0.193 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000884431592 591931083 /nfs/dbraw/zinc/93/10/83/591931083.db2.gz YJPDNPYIPYNNBE-DTWKUNHWSA-N 2 0 227.308 -0.639 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000884431593 591930613 /nfs/dbraw/zinc/93/06/13/591930613.db2.gz YJPDNPYIPYNNBE-IUCAKERBSA-N 2 0 227.308 -0.639 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000884433369 591933071 /nfs/dbraw/zinc/93/30/71/591933071.db2.gz HNVNMIDSZMDCFW-JTQLQIEISA-N 2 0 241.335 -0.262 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000884433370 591933077 /nfs/dbraw/zinc/93/30/77/591933077.db2.gz HNVNMIDSZMDCFW-SNVBAGLBSA-N 2 0 241.335 -0.262 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884434110 591933185 /nfs/dbraw/zinc/93/31/85/591933185.db2.gz ABLONCCCNWTSCV-JTQLQIEISA-N 2 0 229.324 -0.534 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884434111 591933518 /nfs/dbraw/zinc/93/35/18/591933518.db2.gz ABLONCCCNWTSCV-SNVBAGLBSA-N 2 0 229.324 -0.534 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCOC ZINC000884434284 591933343 /nfs/dbraw/zinc/93/33/43/591933343.db2.gz GVRZWMRPPYBDLY-KXUCPTDWSA-N 2 0 229.324 -0.393 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCOC ZINC000884434285 591933501 /nfs/dbraw/zinc/93/35/01/591933501.db2.gz GVRZWMRPPYBDLY-LPEHRKFASA-N 2 0 229.324 -0.393 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C[NH3+])OC ZINC000884434592 591933726 /nfs/dbraw/zinc/93/37/26/591933726.db2.gz QPOSCDOOPKVING-YIZRAAEISA-N 2 0 215.297 -0.783 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884434601 591933129 /nfs/dbraw/zinc/93/31/29/591933129.db2.gz RBLJQUDIJUIWHN-JTQLQIEISA-N 2 0 243.351 -0.416 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884434602 591933296 /nfs/dbraw/zinc/93/32/96/591933296.db2.gz RBLJQUDIJUIWHN-SNVBAGLBSA-N 2 0 243.351 -0.416 20 0 BBADRP C[NH2+]CCOCCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884434631 591933716 /nfs/dbraw/zinc/93/37/16/591933716.db2.gz RVMRLJDLACLCHZ-NSHDSACASA-N 2 0 245.367 -0.027 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884434962 591933577 /nfs/dbraw/zinc/93/35/77/591933577.db2.gz DRJFNCXUROILKX-LLVKDONJSA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884434963 591933653 /nfs/dbraw/zinc/93/36/53/591933653.db2.gz DRJFNCXUROILKX-NSHDSACASA-N 2 0 243.351 -0.192 20 0 BBADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884436420 591934502 /nfs/dbraw/zinc/93/45/02/591934502.db2.gz FDGAUKPLQSHIMB-MNOVXSKESA-N 2 0 243.351 -0.275 20 0 BBADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000884436421 591934031 /nfs/dbraw/zinc/93/40/31/591934031.db2.gz FDGAUKPLQSHIMB-QWRGUYRKSA-N 2 0 243.351 -0.275 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884436670 591934590 /nfs/dbraw/zinc/93/45/90/591934590.db2.gz LIVMCEJJXOPEQV-NXEZZACHSA-N 2 0 241.335 -0.663 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000884436671 591934512 /nfs/dbraw/zinc/93/45/12/591934512.db2.gz LIVMCEJJXOPEQV-UWVGGRQHSA-N 2 0 241.335 -0.663 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000884436672 591934597 /nfs/dbraw/zinc/93/45/97/591934597.db2.gz LIVMCEJJXOPEQV-VHSXEESVSA-N 2 0 241.335 -0.663 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884436673 591934096 /nfs/dbraw/zinc/93/40/96/591934096.db2.gz LIVMCEJJXOPEQV-ZJUUUORDSA-N 2 0 241.335 -0.663 20 0 BBADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])CC2CC2)CCOCC1 ZINC000884436932 591933971 /nfs/dbraw/zinc/93/39/71/591933971.db2.gz RZQCBOKNFGEYCD-JTQLQIEISA-N 2 0 241.335 -0.262 20 0 BBADRP [NH3+]CC1(NC(=O)[C@H]([NH3+])CC2CC2)CCOCC1 ZINC000884436933 584953288 /nfs/dbraw/zinc/95/32/88/584953288.db2.gz RZQCBOKNFGEYCD-SNVBAGLBSA-N 2 0 241.335 -0.262 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884436994 591934542 /nfs/dbraw/zinc/93/45/42/591934542.db2.gz UKZDVCJHYSZUNR-NXEZZACHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000884436995 591934305 /nfs/dbraw/zinc/93/43/05/591934305.db2.gz UKZDVCJHYSZUNR-UWVGGRQHSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000884436996 591934398 /nfs/dbraw/zinc/93/43/98/591934398.db2.gz UKZDVCJHYSZUNR-VHSXEESVSA-N 2 0 227.308 -0.782 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884436997 591934211 /nfs/dbraw/zinc/93/42/11/591934211.db2.gz UKZDVCJHYSZUNR-ZJUUUORDSA-N 2 0 227.308 -0.782 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000884437300 591934242 /nfs/dbraw/zinc/93/42/42/591934242.db2.gz CLNVEFISWCCDGD-AEJSXWLSSA-N 2 0 229.324 -0.393 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000884437301 591934091 /nfs/dbraw/zinc/93/40/91/591934091.db2.gz CLNVEFISWCCDGD-BBBLOLIVSA-N 2 0 229.324 -0.393 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000884437302 591934517 /nfs/dbraw/zinc/93/45/17/591934517.db2.gz CLNVEFISWCCDGD-GUBZILKMSA-N 2 0 229.324 -0.393 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000884437303 591934587 /nfs/dbraw/zinc/93/45/87/591934587.db2.gz CLNVEFISWCCDGD-UTLUCORTSA-N 2 0 229.324 -0.393 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000884437616 591934629 /nfs/dbraw/zinc/93/46/29/591934629.db2.gz JTLKSXSCNRWSAU-CIUDSAMLSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000884437617 591934222 /nfs/dbraw/zinc/93/42/22/591934222.db2.gz JTLKSXSCNRWSAU-HLTSFMKQSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000884437618 591934414 /nfs/dbraw/zinc/93/44/14/591934414.db2.gz JTLKSXSCNRWSAU-VGMNWLOBSA-N 2 0 215.297 -0.783 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000884437619 591934234 /nfs/dbraw/zinc/93/42/34/591934234.db2.gz JTLKSXSCNRWSAU-YIZRAAEISA-N 2 0 215.297 -0.783 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884438135 591934103 /nfs/dbraw/zinc/93/41/03/591934103.db2.gz UVQBNLIHQBUIPC-JTQLQIEISA-N 2 0 229.324 -0.405 20 0 BBADRP [NH3+]CCCOCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884438136 591933681 /nfs/dbraw/zinc/93/36/81/591933681.db2.gz UVQBNLIHQBUIPC-SNVBAGLBSA-N 2 0 229.324 -0.405 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884438748 591934343 /nfs/dbraw/zinc/93/43/43/591934343.db2.gz JYLPNMKLVMEXGV-JTQLQIEISA-N 2 0 243.351 -0.334 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884438749 591934109 /nfs/dbraw/zinc/93/41/09/591934109.db2.gz JYLPNMKLVMEXGV-SNVBAGLBSA-N 2 0 243.351 -0.334 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCCOCCC[NH3+] ZINC000884438794 591934621 /nfs/dbraw/zinc/93/46/21/591934621.db2.gz LCCRNFJVMISRBV-JTQLQIEISA-N 2 0 243.351 -0.286 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCOCCC[NH3+] ZINC000884438795 591934247 /nfs/dbraw/zinc/93/42/47/591934247.db2.gz LCCRNFJVMISRBV-SNVBAGLBSA-N 2 0 243.351 -0.286 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884439022 591934536 /nfs/dbraw/zinc/93/45/36/591934536.db2.gz QKASUCYYTKQAHN-JTQLQIEISA-N 2 0 229.324 -0.453 20 0 BBADRP CN(CCOCC[NH3+])C(=O)[C@H]([NH3+])CC1CC1 ZINC000884439023 591934604 /nfs/dbraw/zinc/93/46/04/591934604.db2.gz QKASUCYYTKQAHN-SNVBAGLBSA-N 2 0 229.324 -0.453 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000884442957 591936233 /nfs/dbraw/zinc/93/62/33/591936233.db2.gz VXZGNBWFGHNMOH-ZMLRMANQSA-N 2 0 241.335 -0.582 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884445440 591936786 /nfs/dbraw/zinc/93/67/86/591936786.db2.gz NEIHVIUQAVHYLW-FXBDTBDDSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884445441 591936791 /nfs/dbraw/zinc/93/67/91/591936791.db2.gz NEIHVIUQAVHYLW-UJNFCWOMSA-N 2 0 211.309 -0.020 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449763 591938618 /nfs/dbraw/zinc/93/86/18/591938618.db2.gz NLYJMVQUDLWUKQ-UWVGGRQHSA-N 2 0 229.324 -0.310 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449764 591938598 /nfs/dbraw/zinc/93/85/98/591938598.db2.gz NLYJMVQUDLWUKQ-ZJUUUORDSA-N 2 0 229.324 -0.310 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884455110 591939763 /nfs/dbraw/zinc/93/97/63/591939763.db2.gz CUASRNBMNUYEAM-UWVGGRQHSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884455111 591939529 /nfs/dbraw/zinc/93/95/29/591939529.db2.gz CUASRNBMNUYEAM-ZJUUUORDSA-N 2 0 243.351 -0.146 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457444 591940411 /nfs/dbraw/zinc/94/04/11/591940411.db2.gz CCUPZQKIEUEAIN-GUBZILKMSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457445 591940438 /nfs/dbraw/zinc/94/04/38/591940438.db2.gz CCUPZQKIEUEAIN-LPEHRKFASA-N 2 0 209.293 -0.314 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457477 591940515 /nfs/dbraw/zinc/94/05/15/591940515.db2.gz CXTCAJIRZOJCBV-GUBZILKMSA-N 2 0 223.320 -0.195 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457478 591940095 /nfs/dbraw/zinc/94/00/95/591940095.db2.gz CXTCAJIRZOJCBV-LPEHRKFASA-N 2 0 223.320 -0.195 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000884460836 591937329 /nfs/dbraw/zinc/93/73/29/591937329.db2.gz MLDYOASDNQIENG-YUCVTWSNSA-N 2 0 227.308 -0.558 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884463016 591941822 /nfs/dbraw/zinc/94/18/22/591941822.db2.gz VNEVYVWUCLVDJS-UWVGGRQHSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884463017 591941734 /nfs/dbraw/zinc/94/17/34/591941734.db2.gz VNEVYVWUCLVDJS-ZJUUUORDSA-N 2 0 243.351 -0.146 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000884464100 591941856 /nfs/dbraw/zinc/94/18/56/591941856.db2.gz CRSCUAUVOUDPPS-VIFPVBQESA-N 2 0 229.324 -0.262 20 0 BBADRP COCC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000884467761 591943164 /nfs/dbraw/zinc/94/31/64/591943164.db2.gz DSKLMSILOUHYNQ-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP COCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000884467762 591943381 /nfs/dbraw/zinc/94/33/81/591943381.db2.gz DSKLMSILOUHYNQ-SNVBAGLBSA-N 2 0 243.351 -0.049 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000884467798 591943132 /nfs/dbraw/zinc/94/31/32/591943132.db2.gz GCAXBVHNIVTYNL-VIFPVBQESA-N 2 0 229.324 -0.439 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1C[C@H]([NH3+])C1 ZINC000884469634 591944020 /nfs/dbraw/zinc/94/40/20/591944020.db2.gz QHHGWHPJGGGZJA-AEJSXWLSSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1C[C@H]([NH3+])C1 ZINC000884469635 591943777 /nfs/dbraw/zinc/94/37/77/591943777.db2.gz QHHGWHPJGGGZJA-KXUCPTDWSA-N 2 0 211.309 -0.033 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884470265 591944276 /nfs/dbraw/zinc/94/42/76/591944276.db2.gz JSANHRXHCVAISM-VLEAKVRGSA-N 2 0 241.335 -0.393 20 0 BBADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1C[C@@H]([NH3+])C1 ZINC000884470507 591943873 /nfs/dbraw/zinc/94/38/73/591943873.db2.gz QHHGWHPJGGGZJA-GUBZILKMSA-N 2 0 211.309 -0.033 20 0 BBADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1C[C@@H]([NH3+])C1 ZINC000884470508 591944270 /nfs/dbraw/zinc/94/42/70/591944270.db2.gz QHHGWHPJGGGZJA-OPRDCNLKSA-N 2 0 211.309 -0.033 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884471225 591945326 /nfs/dbraw/zinc/94/53/26/591945326.db2.gz OYSPBWZMTYVPBW-AXFHLTTASA-N 2 0 241.335 -0.487 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884471226 591945027 /nfs/dbraw/zinc/94/50/27/591945027.db2.gz OYSPBWZMTYVPBW-DCAQKATOSA-N 2 0 241.335 -0.487 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884471227 591944869 /nfs/dbraw/zinc/94/48/69/591944869.db2.gz OYSPBWZMTYVPBW-MXWKQRLJSA-N 2 0 241.335 -0.487 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884471228 591945459 /nfs/dbraw/zinc/94/54/59/591945459.db2.gz OYSPBWZMTYVPBW-VWYCJHECSA-N 2 0 241.335 -0.487 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000884471780 591945485 /nfs/dbraw/zinc/94/54/85/591945485.db2.gz GAJAYVODNUHQFT-MNOVXSKESA-N 2 0 243.351 -0.241 20 0 BBADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000884472081 591944701 /nfs/dbraw/zinc/94/47/01/591944701.db2.gz OZQZVCGTPHQANF-SCZZXKLOSA-N 2 0 229.324 -0.536 20 0 BBADRP Cc1cc(NCC[N@H+](C)CCO)nc(N)[nH+]1 ZINC000884823824 592021979 /nfs/dbraw/zinc/02/19/79/592021979.db2.gz GPQIEKNEAOQEHH-UHFFFAOYSA-N 2 0 225.296 -0.297 20 0 BBADRP C[N@H+](CCO)CCNc1ccncc1F ZINC000884826210 592018325 /nfs/dbraw/zinc/01/83/25/592018325.db2.gz OOSWXRUJZWELDS-UHFFFAOYSA-N 2 0 213.256 -0.021 20 0 BBADRP C[N@H+](CCO)CCNc1cc[nH+]c(CO)c1 ZINC000884826281 592023942 /nfs/dbraw/zinc/02/39/42/592023942.db2.gz ULEFMQDJTHLWOA-UHFFFAOYSA-N 2 0 225.292 -0.090 20 0 BBADRP CCN(C[C@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000886846521 592363681 /nfs/dbraw/zinc/36/36/81/592363681.db2.gz CWHZTFWUGBQKCM-GHMZBOCLSA-N 2 0 213.325 -0.341 20 0 BBADRP CCN(C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000886846522 592363254 /nfs/dbraw/zinc/36/32/54/592363254.db2.gz CWHZTFWUGBQKCM-MNOVXSKESA-N 2 0 213.325 -0.341 20 0 BBADRP CCN(C[C@@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000886846523 592362605 /nfs/dbraw/zinc/36/26/05/592362605.db2.gz CWHZTFWUGBQKCM-QWRGUYRKSA-N 2 0 213.325 -0.341 20 0 BBADRP CCN(C[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000886846524 592364078 /nfs/dbraw/zinc/36/40/78/592364078.db2.gz CWHZTFWUGBQKCM-WDEREUQCSA-N 2 0 213.325 -0.341 20 0 BBADRP CCN(CCOCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000886848514 592366272 /nfs/dbraw/zinc/36/62/72/592366272.db2.gz GJEQYYILUYIOGS-JTQLQIEISA-N 2 0 201.314 -0.355 20 0 BBADRP CCN(CCOCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000886848515 592365365 /nfs/dbraw/zinc/36/53/65/592365365.db2.gz GJEQYYILUYIOGS-SNVBAGLBSA-N 2 0 201.314 -0.355 20 0 BBADRP CCN(CCN1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000886848533 592365881 /nfs/dbraw/zinc/36/58/81/592365881.db2.gz GWOOIQKPCYRTKN-GFCCVEGCSA-N 2 0 226.368 -0.425 20 0 BBADRP CCN(CCN1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000886848534 592365009 /nfs/dbraw/zinc/36/50/09/592365009.db2.gz GWOOIQKPCYRTKN-LBPRGKRZSA-N 2 0 226.368 -0.425 20 0 BBADRP CC(C)([NH2+]CCOCC[NH3+])C(=O)N1CCCC1 ZINC000886858310 592369267 /nfs/dbraw/zinc/36/92/67/592369267.db2.gz VTLHXZDQTATDML-UHFFFAOYSA-N 2 0 243.351 -0.048 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@H](NC(=O)OC)C1 ZINC000886859868 592371570 /nfs/dbraw/zinc/37/15/70/592371570.db2.gz IFAGCBQETPEJMY-GXSJLCMTSA-N 2 0 245.323 -0.613 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CC[C@H](NC(=O)OC)C1 ZINC000886859869 592372226 /nfs/dbraw/zinc/37/22/26/592372226.db2.gz IFAGCBQETPEJMY-ONGXEEELSA-N 2 0 245.323 -0.613 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000887355024 592487599 /nfs/dbraw/zinc/48/75/99/592487599.db2.gz AFMNJBCHVGTVRR-LLVKDONJSA-N 2 0 239.367 -0.244 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NCC1CC1 ZINC000887355025 592488102 /nfs/dbraw/zinc/48/81/02/592488102.db2.gz AFMNJBCHVGTVRR-NSHDSACASA-N 2 0 239.367 -0.244 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NCC(F)F ZINC000887355410 592487995 /nfs/dbraw/zinc/48/79/95/592487995.db2.gz PBMYDRKBQXETNH-MRVPVSSYSA-N 2 0 249.309 -0.389 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NCC(F)F ZINC000887355411 592487569 /nfs/dbraw/zinc/48/75/69/592487569.db2.gz PBMYDRKBQXETNH-QMMMGPOBSA-N 2 0 249.309 -0.389 20 0 BBADRP [NH2+]=C(NCC(F)F)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000887356749 592488735 /nfs/dbraw/zinc/48/87/35/592488735.db2.gz OLXCRGNEIVMISN-MRVPVSSYSA-N 2 0 247.293 -0.635 20 0 BBADRP [NH2+]=C(NCC(F)F)NC[C@H]1C[NH+]2CCN1CC2 ZINC000887356750 592488698 /nfs/dbraw/zinc/48/86/98/592488698.db2.gz OLXCRGNEIVMISN-QMMMGPOBSA-N 2 0 247.293 -0.635 20 0 BBADRP [NH2+]=C(NCC1CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000887356846 585497129 /nfs/dbraw/zinc/49/71/29/585497129.db2.gz SDWOUXCHCXWFAP-LLVKDONJSA-N 2 0 237.351 -0.490 20 0 BBADRP [NH2+]=C(NCC1CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000887356847 585497234 /nfs/dbraw/zinc/49/72/34/585497234.db2.gz SDWOUXCHCXWFAP-NSHDSACASA-N 2 0 237.351 -0.490 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NCC(F)F)C1 ZINC000887357941 592489287 /nfs/dbraw/zinc/48/92/87/592489287.db2.gz KXTMKBQDVOMXDW-SECBINFHSA-N 2 0 236.266 -0.568 20 0 BBADRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NCC(F)F)C1 ZINC000887357942 592489245 /nfs/dbraw/zinc/48/92/45/592489245.db2.gz KXTMKBQDVOMXDW-VIFPVBQESA-N 2 0 236.266 -0.568 20 0 BBADRP [NH2+]=C(NCCN1CCC(O)CC1)NCC1CC1 ZINC000887361547 585497821 /nfs/dbraw/zinc/49/78/21/585497821.db2.gz AANHGQDGERXFHF-UHFFFAOYSA-N 2 0 240.351 -0.033 20 0 BBADRP C[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887933488 592560581 /nfs/dbraw/zinc/56/05/81/592560581.db2.gz UFQRSGKVORQEHM-CMPLNLGQSA-N 2 0 225.336 -0.042 20 0 BBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+](C)C ZINC000890065211 592675109 /nfs/dbraw/zinc/67/51/09/592675109.db2.gz COCYXCRJSUSBEG-JTQLQIEISA-N 2 0 228.340 -0.059 20 0 BBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+](C)C ZINC000890065212 592674144 /nfs/dbraw/zinc/67/41/44/592674144.db2.gz COCYXCRJSUSBEG-SNVBAGLBSA-N 2 0 228.340 -0.059 20 0 BBADRP C[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000891403022 642477553 /nfs/dbraw/zinc/47/75/53/642477553.db2.gz FZKOIQBRKKPSGP-DCAQKATOSA-N 2 0 238.335 -0.164 20 0 BBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000891403023 642476850 /nfs/dbraw/zinc/47/68/50/642476850.db2.gz FZKOIQBRKKPSGP-VWYCJHECSA-N 2 0 238.335 -0.164 20 0 BBADRP OCc1c[nH+]ccc1NCCN1CCOCC1 ZINC000891425869 582682252 /nfs/dbraw/zinc/68/22/52/582682252.db2.gz HMWIORIGODHFTD-UHFFFAOYSA-N 2 0 237.303 -0.260 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891438266 582685259 /nfs/dbraw/zinc/68/52/59/582685259.db2.gz QJUQGHXUKSSKLU-AXFHLTTASA-N 2 0 238.335 -0.164 20 0 BBADRP C[N@H+](CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000891546120 582696026 /nfs/dbraw/zinc/69/60/26/582696026.db2.gz PXXBXGSNEMNMRM-ONGXEEELSA-N 2 0 238.335 -0.164 20 0 BBADRP C[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+](C)C ZINC000891939040 631566443 /nfs/dbraw/zinc/56/64/43/631566443.db2.gz CZOMQDCVCCXMTQ-GUBZILKMSA-N 2 0 226.324 -0.308 20 0 BBADRP C[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+](C)C ZINC000891939456 631566128 /nfs/dbraw/zinc/56/61/28/631566128.db2.gz LCHDSRCUFNDMQI-GUBZILKMSA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+](C)C ZINC000891939458 631565804 /nfs/dbraw/zinc/56/58/04/631565804.db2.gz LCHDSRCUFNDMQI-LPEHRKFASA-N 2 0 228.340 -0.027 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CC[NH2+]CC1 ZINC000891960828 582748339 /nfs/dbraw/zinc/74/83/39/582748339.db2.gz BBUAFXNXNCXODG-BDAKNGLRSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC[NH2+]CC1 ZINC000891960829 582748213 /nfs/dbraw/zinc/74/82/13/582748213.db2.gz BBUAFXNXNCXODG-DTWKUNHWSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CC[NH2+]CC1 ZINC000891960830 582748348 /nfs/dbraw/zinc/74/83/48/582748348.db2.gz BBUAFXNXNCXODG-IUCAKERBSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC[NH2+]CC1 ZINC000891960831 582748233 /nfs/dbraw/zinc/74/82/33/582748233.db2.gz BBUAFXNXNCXODG-RKDXNWHRSA-N 2 0 226.324 -0.131 20 0 BBADRP O=C(NC1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891960865 582748282 /nfs/dbraw/zinc/74/82/82/582748282.db2.gz CFMGCGANHBNPOP-UWVGGRQHSA-N 2 0 224.308 -0.506 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891961456 631638621 /nfs/dbraw/zinc/63/86/21/631638621.db2.gz BASILQDZOCFVFU-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891961457 631638827 /nfs/dbraw/zinc/63/88/27/631638827.db2.gz BASILQDZOCFVFU-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891961458 631638533 /nfs/dbraw/zinc/63/85/33/631638533.db2.gz BASILQDZOCFVFU-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891961459 631638764 /nfs/dbraw/zinc/63/87/64/631638764.db2.gz BASILQDZOCFVFU-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP O=C(NC1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891961545 582748296 /nfs/dbraw/zinc/74/82/96/582748296.db2.gz PZAXCGRNRRYTLQ-PHIMTYICSA-N 2 0 238.335 -0.116 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891962043 582748636 /nfs/dbraw/zinc/74/86/36/582748636.db2.gz MHYIWLVWKFYEOO-IUCAKERBSA-N 2 0 212.297 -0.648 20 0 BBADRP CCN(C(=O)NCCC[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000891962297 582748638 /nfs/dbraw/zinc/74/86/38/582748638.db2.gz HSZUYERZUMROTK-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CCN(C(=O)NCCC[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000891962298 582748599 /nfs/dbraw/zinc/74/85/99/582748599.db2.gz HSZUYERZUMROTK-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891962339 711562023 /nfs/dbraw/zinc/56/20/23/711562023.db2.gz PPHALGNVJFDINJ-AOOOYVTPSA-N 2 0 226.324 -0.258 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC1CC[NH2+]CC1 ZINC000891962382 711561975 /nfs/dbraw/zinc/56/19/75/711561975.db2.gz RHBHIYGXMIXDTF-SNVBAGLBSA-N 2 0 226.324 -0.129 20 0 BBADRP C[NH2+]CCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891963097 631643594 /nfs/dbraw/zinc/64/35/94/631643594.db2.gz ZRDKMFMKUAURSY-CMPLNLGQSA-N 2 0 240.351 -0.153 20 0 BBADRP C[NH2+]CCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891963697 631644190 /nfs/dbraw/zinc/64/41/90/631644190.db2.gz KTILBWIMWZGGAX-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP O=C(NCCC[NH2+]C1CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891967802 631652605 /nfs/dbraw/zinc/65/26/05/631652605.db2.gz AVMNJWMHVWVNIV-QWRGUYRKSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891970049 582749785 /nfs/dbraw/zinc/74/97/85/582749785.db2.gz CCLRKTXMLPHWLK-DCAQKATOSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891970050 582749843 /nfs/dbraw/zinc/74/98/43/582749843.db2.gz CCLRKTXMLPHWLK-VWYCJHECSA-N 2 0 238.335 -0.116 20 0 BBADRP [NH3+]CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891975649 582751699 /nfs/dbraw/zinc/75/16/99/582751699.db2.gz DOQSSGRNHBFEGD-MRVPVSSYSA-N 2 0 200.286 -0.532 20 0 BBADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCC[NH3+] ZINC000891975773 582751726 /nfs/dbraw/zinc/75/17/26/582751726.db2.gz FEGBFWJHMMGEAL-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP [NH3+]CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891975776 582751745 /nfs/dbraw/zinc/75/17/45/582751745.db2.gz FIUAPJPEMNEBER-UHFFFAOYSA-N 2 0 212.297 -0.390 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[NH3+])CC[C@H]21 ZINC000891975781 582751564 /nfs/dbraw/zinc/75/15/64/582751564.db2.gz FNEMNTHOHMULPW-NXEZZACHSA-N 2 0 226.324 -0.319 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCC[NH3+])CC[C@@H]21 ZINC000891975782 582751573 /nfs/dbraw/zinc/75/15/73/582751573.db2.gz FNEMNTHOHMULPW-UWVGGRQHSA-N 2 0 226.324 -0.319 20 0 BBADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCC[NH3+])CC[C@H]21 ZINC000891975783 582751451 /nfs/dbraw/zinc/75/14/51/582751451.db2.gz FNEMNTHOHMULPW-VHSXEESVSA-N 2 0 226.324 -0.319 20 0 BBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[NH3+])CC[C@@H]21 ZINC000891975784 582751655 /nfs/dbraw/zinc/75/16/55/582751655.db2.gz FNEMNTHOHMULPW-ZJUUUORDSA-N 2 0 226.324 -0.319 20 0 BBADRP [NH3+]CCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891975805 582751467 /nfs/dbraw/zinc/75/14/67/582751467.db2.gz GFIQZMIPHAATKF-SECBINFHSA-N 2 0 214.313 -0.142 20 0 BBADRP [NH3+]CCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891975806 582751591 /nfs/dbraw/zinc/75/15/91/582751591.db2.gz GFIQZMIPHAATKF-VIFPVBQESA-N 2 0 214.313 -0.142 20 0 BBADRP [NH3+]CCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891975824 582751761 /nfs/dbraw/zinc/75/17/61/582751761.db2.gz GSONDBZGXZQCCG-ILWJIGKKSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+]CCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891975855 582751627 /nfs/dbraw/zinc/75/16/27/582751627.db2.gz HQYMLVXOEZTOIL-UHFFFAOYSA-N 2 0 214.313 -0.094 20 0 BBADRP [NH3+]CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891976543 582751082 /nfs/dbraw/zinc/75/10/82/582751082.db2.gz OBLSRQYTKCRLLH-BDAKNGLRSA-N 2 0 212.297 -0.519 20 0 BBADRP [NH3+]CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891976544 582750915 /nfs/dbraw/zinc/75/09/15/582750915.db2.gz OBLSRQYTKCRLLH-DTWKUNHWSA-N 2 0 212.297 -0.519 20 0 BBADRP [NH3+]CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891976545 582751087 /nfs/dbraw/zinc/75/10/87/582751087.db2.gz OBLSRQYTKCRLLH-IUCAKERBSA-N 2 0 212.297 -0.519 20 0 BBADRP [NH3+]CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891976546 582750729 /nfs/dbraw/zinc/75/07/29/582750729.db2.gz OBLSRQYTKCRLLH-RKDXNWHRSA-N 2 0 212.297 -0.519 20 0 BBADRP [NH3+]CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891976587 582750738 /nfs/dbraw/zinc/75/07/38/582750738.db2.gz DOQSSGRNHBFEGD-QMMMGPOBSA-N 2 0 200.286 -0.532 20 0 BBADRP [NH3+]CCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891976887 582750826 /nfs/dbraw/zinc/75/08/26/582750826.db2.gz PLLCLVJOJIDIPF-GFCCVEGCSA-N 2 0 248.330 -0.041 20 0 BBADRP [NH3+]CCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891976888 582751048 /nfs/dbraw/zinc/75/10/48/582751048.db2.gz PLLCLVJOJIDIPF-LBPRGKRZSA-N 2 0 248.330 -0.041 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[NH3+])C2 ZINC000891976889 582751086 /nfs/dbraw/zinc/75/10/86/582751086.db2.gz PLVIOVHSTPOGNU-WCBMZHEXSA-N 2 0 212.297 -0.804 20 0 BBADRP C[N@@H+]1CCN(C(=O)NCC[NH3+])CC1(C)C ZINC000891977385 582750931 /nfs/dbraw/zinc/75/09/31/582750931.db2.gz VPKINHQFVWUQCD-UHFFFAOYSA-N 2 0 214.313 -0.319 20 0 BBADRP CCC1([NH3+])CCN(C(=O)NCC[NH3+])CC1 ZINC000891977817 582751670 /nfs/dbraw/zinc/75/16/70/582751670.db2.gz SNPXOVYTGCVZTM-UHFFFAOYSA-N 2 0 214.313 -0.142 20 0 BBADRP CCN(C(=O)NCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000891977901 582751533 /nfs/dbraw/zinc/75/15/33/582751533.db2.gz WTMUYNPGSVGKBT-MRVPVSSYSA-N 2 0 200.286 -0.662 20 0 BBADRP CCN(C(=O)NCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000891977902 582751494 /nfs/dbraw/zinc/75/14/94/582751494.db2.gz WTMUYNPGSVGKBT-QMMMGPOBSA-N 2 0 200.286 -0.662 20 0 BBADRP [NH3+]CCNC(=O)N1CC[NH2+]CCC12CCC2 ZINC000891978011 582751500 /nfs/dbraw/zinc/75/15/00/582751500.db2.gz ZLXLTHBECSZMOV-UHFFFAOYSA-N 2 0 226.324 -0.127 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NCC[NH2+]C1CC1 ZINC000891985196 582752750 /nfs/dbraw/zinc/75/27/50/582752750.db2.gz YGBJCTQVDCLWSK-SNVBAGLBSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]CCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891985572 582753605 /nfs/dbraw/zinc/75/36/05/582753605.db2.gz FYIQWIYIFPWBCC-GXSJLCMTSA-N 2 0 226.324 -0.081 20 0 BBADRP [NH3+]CCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891985573 582753933 /nfs/dbraw/zinc/75/39/33/582753933.db2.gz FYIQWIYIFPWBCC-KOLCDFICSA-N 2 0 226.324 -0.081 20 0 BBADRP [NH3+]CCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891985574 582753776 /nfs/dbraw/zinc/75/37/76/582753776.db2.gz FYIQWIYIFPWBCC-MWLCHTKSSA-N 2 0 226.324 -0.081 20 0 BBADRP [NH3+]CCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891985575 582754057 /nfs/dbraw/zinc/75/40/57/582754057.db2.gz FYIQWIYIFPWBCC-ONGXEEELSA-N 2 0 226.324 -0.081 20 0 BBADRP [NH3+]CCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891985605 582753863 /nfs/dbraw/zinc/75/38/63/582753863.db2.gz GXQDOWQDSNYPRG-SECBINFHSA-N 2 0 214.313 -0.142 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCC[NH3+])C2 ZINC000891985625 582754024 /nfs/dbraw/zinc/75/40/24/582754024.db2.gz HXNOMXKNPWIQFP-GXSJLCMTSA-N 2 0 226.324 -0.414 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCC[NH3+] ZINC000891985777 582754027 /nfs/dbraw/zinc/75/40/27/582754027.db2.gz JRIBRFLGLMCCCJ-HTQZYQBOSA-N 2 0 200.286 -0.534 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCC[NH3+] ZINC000891985778 582753825 /nfs/dbraw/zinc/75/38/25/582753825.db2.gz JRIBRFLGLMCCCJ-JGVFFNPUSA-N 2 0 200.286 -0.534 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCC[NH3+] ZINC000891985779 582753727 /nfs/dbraw/zinc/75/37/27/582753727.db2.gz JRIBRFLGLMCCCJ-SFYZADRCSA-N 2 0 200.286 -0.534 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCC[NH3+] ZINC000891985780 582753800 /nfs/dbraw/zinc/75/38/00/582753800.db2.gz JRIBRFLGLMCCCJ-YUMQZZPRSA-N 2 0 200.286 -0.534 20 0 BBADRP [NH3+]CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891985826 582753920 /nfs/dbraw/zinc/75/39/20/582753920.db2.gz LUHONRCEACZDMJ-DTORHVGOSA-N 2 0 212.297 -0.519 20 0 BBADRP CC(C)([NH3+])CCNC(=O)NCCC[NH3+] ZINC000891985903 582753751 /nfs/dbraw/zinc/75/37/51/582753751.db2.gz BIIVATSAPOIWKQ-UHFFFAOYSA-N 2 0 202.302 -0.238 20 0 BBADRP [NH3+]CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000891986283 582753321 /nfs/dbraw/zinc/75/33/21/582753321.db2.gz GTSGAQHSDMFGOY-BDAKNGLRSA-N 2 0 214.313 -0.096 20 0 BBADRP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000891986284 582753359 /nfs/dbraw/zinc/75/33/59/582753359.db2.gz GTSGAQHSDMFGOY-DTWKUNHWSA-N 2 0 214.313 -0.096 20 0 BBADRP [NH3+]CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000891986285 582753191 /nfs/dbraw/zinc/75/31/91/582753191.db2.gz GTSGAQHSDMFGOY-IUCAKERBSA-N 2 0 214.313 -0.096 20 0 BBADRP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000891986286 582753189 /nfs/dbraw/zinc/75/31/89/582753189.db2.gz GTSGAQHSDMFGOY-RKDXNWHRSA-N 2 0 214.313 -0.096 20 0 BBADRP [NH3+]CCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891986289 582753229 /nfs/dbraw/zinc/75/32/29/582753229.db2.gz GXQDOWQDSNYPRG-VIFPVBQESA-N 2 0 214.313 -0.142 20 0 BBADRP [NH3+]CCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891986326 582753257 /nfs/dbraw/zinc/75/32/57/582753257.db2.gz IFPHVCRCLXMUNV-MRVPVSSYSA-N 2 0 200.286 -0.532 20 0 BBADRP [NH3+]CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891986737 582753078 /nfs/dbraw/zinc/75/30/78/582753078.db2.gz UGEQWKQGEOSMTL-NXEZZACHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891986739 582753095 /nfs/dbraw/zinc/75/30/95/582753095.db2.gz UGEQWKQGEOSMTL-UWVGGRQHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891986740 582753201 /nfs/dbraw/zinc/75/32/01/582753201.db2.gz UGEQWKQGEOSMTL-VHSXEESVSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891986741 582753097 /nfs/dbraw/zinc/75/30/97/582753097.db2.gz UGEQWKQGEOSMTL-ZJUUUORDSA-N 2 0 226.324 -0.129 20 0 BBADRP CCN(C(=O)NCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000891987656 582754435 /nfs/dbraw/zinc/75/44/35/582754435.db2.gz WOTRQZTVZAFDAE-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP CCN(C(=O)NCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000891987658 582754263 /nfs/dbraw/zinc/75/42/63/582754263.db2.gz WOTRQZTVZAFDAE-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP O=C(NCC[NH2+]C1CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891988235 582754450 /nfs/dbraw/zinc/75/44/50/582754450.db2.gz FFILATPHUURIJE-UWVGGRQHSA-N 2 0 224.308 -0.506 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[NH2+]C1CC1 ZINC000891988832 582754037 /nfs/dbraw/zinc/75/40/37/582754037.db2.gz LTUFSPPMKLCEIX-BDAKNGLRSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[NH2+]C1CC1 ZINC000891988833 582753992 /nfs/dbraw/zinc/75/39/92/582753992.db2.gz LTUFSPPMKLCEIX-DTWKUNHWSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[NH2+]C1CC1 ZINC000891988834 582753832 /nfs/dbraw/zinc/75/38/32/582753832.db2.gz LTUFSPPMKLCEIX-IUCAKERBSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[NH2+]C1CC1 ZINC000891988835 582753619 /nfs/dbraw/zinc/75/36/19/582753619.db2.gz LTUFSPPMKLCEIX-RKDXNWHRSA-N 2 0 226.324 -0.131 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[NH2+]C2CC2)C1 ZINC000891989074 582753820 /nfs/dbraw/zinc/75/38/20/582753820.db2.gz MWLKJGHZARCTJM-DTORHVGOSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC[NH2+]C2CC2)C1 ZINC000891989075 582754009 /nfs/dbraw/zinc/75/40/09/582754009.db2.gz MWLKJGHZARCTJM-KYZUINATSA-N 2 0 226.324 -0.225 20 0 BBADRP O=C(NCC[NH2+]C1CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891989483 582754521 /nfs/dbraw/zinc/75/45/21/582754521.db2.gz UZKYWXZCNKZYHC-PHIMTYICSA-N 2 0 238.335 -0.116 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891991947 582755211 /nfs/dbraw/zinc/75/52/11/582755211.db2.gz AJEOHDKQBLUEFK-DTORHVGOSA-N 2 0 212.297 -0.648 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000891992200 582755083 /nfs/dbraw/zinc/75/50/83/582755083.db2.gz DQJNXKNTIATDIP-GHMZBOCLSA-N 2 0 240.351 -0.059 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000891992201 582755196 /nfs/dbraw/zinc/75/51/96/582755196.db2.gz DQJNXKNTIATDIP-MNOVXSKESA-N 2 0 240.351 -0.059 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000891992202 582755049 /nfs/dbraw/zinc/75/50/49/582755049.db2.gz DQJNXKNTIATDIP-QWRGUYRKSA-N 2 0 240.351 -0.059 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000891992203 582755026 /nfs/dbraw/zinc/75/50/26/582755026.db2.gz DQJNXKNTIATDIP-WDEREUQCSA-N 2 0 240.351 -0.059 20 0 BBADRP C[NH2+]CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891992497 582755502 /nfs/dbraw/zinc/75/55/02/582755502.db2.gz IMLIOAKBMDRMTQ-UHFFFAOYSA-N 2 0 226.324 -0.129 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891992812 582755761 /nfs/dbraw/zinc/75/57/61/582755761.db2.gz NARADRYFFCDCJC-HTQZYQBOSA-N 2 0 200.286 -0.663 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891992813 582755726 /nfs/dbraw/zinc/75/57/26/582755726.db2.gz NARADRYFFCDCJC-JGVFFNPUSA-N 2 0 200.286 -0.663 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891992814 582755749 /nfs/dbraw/zinc/75/57/49/582755749.db2.gz NARADRYFFCDCJC-SFYZADRCSA-N 2 0 200.286 -0.663 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891992815 582755538 /nfs/dbraw/zinc/75/55/38/582755538.db2.gz NARADRYFFCDCJC-YUMQZZPRSA-N 2 0 200.286 -0.663 20 0 BBADRP CCN(C(=O)NCC[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000891992893 582755536 /nfs/dbraw/zinc/75/55/36/582755536.db2.gz ACQYFHRJRPRODE-SECBINFHSA-N 2 0 214.313 -0.401 20 0 BBADRP CCN(C(=O)NCC[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000891992894 582755627 /nfs/dbraw/zinc/75/56/27/582755627.db2.gz ACQYFHRJRPRODE-VIFPVBQESA-N 2 0 214.313 -0.401 20 0 BBADRP C[NH2+]CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891992979 582755681 /nfs/dbraw/zinc/75/56/81/582755681.db2.gz DECFPFFNRMUUEP-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH2+]CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891992980 582755643 /nfs/dbraw/zinc/75/56/43/582755643.db2.gz DECFPFFNRMUUEP-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH2+]CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891992981 582755535 /nfs/dbraw/zinc/75/55/35/582755535.db2.gz DECFPFFNRMUUEP-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH2+]CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891992982 582755445 /nfs/dbraw/zinc/75/54/45/582755445.db2.gz DECFPFFNRMUUEP-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP C[NH2+]CCNC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000891993315 582755669 /nfs/dbraw/zinc/75/56/69/582755669.db2.gz FNOYCGRDPDCGMX-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP C[NH2+]CCNC(=O)NCCC(C)(C)[NH3+] ZINC000891993381 582756855 /nfs/dbraw/zinc/75/68/55/582756855.db2.gz IQMWLRWHKGGJPR-UHFFFAOYSA-N 2 0 202.302 -0.368 20 0 BBADRP C[NH2+]CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891994021 582755922 /nfs/dbraw/zinc/75/59/22/582755922.db2.gz MWOBHPQMHKRART-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP C[NH2+]CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891994022 582756094 /nfs/dbraw/zinc/75/60/94/582756094.db2.gz MWOBHPQMHKRART-VIFPVBQESA-N 2 0 214.313 -0.271 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000891994091 582756327 /nfs/dbraw/zinc/75/63/27/582756327.db2.gz OIBNIKBGXNJBPL-BDAKNGLRSA-N 2 0 214.313 -0.225 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000891994092 582756209 /nfs/dbraw/zinc/75/62/09/582756209.db2.gz OIBNIKBGXNJBPL-DTWKUNHWSA-N 2 0 214.313 -0.225 20 0 BBADRP C[NH2+]CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000891994093 582755986 /nfs/dbraw/zinc/75/59/86/582755986.db2.gz OIBNIKBGXNJBPL-IUCAKERBSA-N 2 0 214.313 -0.225 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000891994094 582755926 /nfs/dbraw/zinc/75/59/26/582755926.db2.gz OIBNIKBGXNJBPL-RKDXNWHRSA-N 2 0 214.313 -0.225 20 0 BBADRP C[NH2+]CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891994108 582756316 /nfs/dbraw/zinc/75/63/16/582756316.db2.gz OUWCARLUBQNHRJ-GXSJLCMTSA-N 2 0 226.324 -0.543 20 0 BBADRP C[NH2+]CCNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891994307 582755935 /nfs/dbraw/zinc/75/59/35/582755935.db2.gz UAHBYCYFMHBNSZ-UHFFFAOYSA-N 2 0 223.280 -0.318 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891994318 582756367 /nfs/dbraw/zinc/75/63/67/582756367.db2.gz UKIUIOSKPZUPFS-GXSJLCMTSA-N 2 0 226.324 -0.210 20 0 BBADRP C[NH2+]CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891994319 582756349 /nfs/dbraw/zinc/75/63/49/582756349.db2.gz UKIUIOSKPZUPFS-KOLCDFICSA-N 2 0 226.324 -0.210 20 0 BBADRP C[NH2+]CCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891994320 582756123 /nfs/dbraw/zinc/75/61/23/582756123.db2.gz UKIUIOSKPZUPFS-MWLCHTKSSA-N 2 0 226.324 -0.210 20 0 BBADRP C[NH2+]CCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891994321 582756010 /nfs/dbraw/zinc/75/60/10/582756010.db2.gz UKIUIOSKPZUPFS-ONGXEEELSA-N 2 0 226.324 -0.210 20 0 BBADRP C[NH2+]CCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000891994528 582755971 /nfs/dbraw/zinc/75/59/71/582755971.db2.gz WQBKXHPVPRGHFB-UHFFFAOYSA-N 2 0 228.340 -0.059 20 0 BBADRP C[NH2+]CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891994705 582756302 /nfs/dbraw/zinc/75/63/02/582756302.db2.gz XWJLGVMHGVVTLY-MRVPVSSYSA-N 2 0 200.286 -0.662 20 0 BBADRP CC[NH2+]CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891995053 582757002 /nfs/dbraw/zinc/75/70/02/582757002.db2.gz IOEVWJLZKDGRLS-SECBINFHSA-N 2 0 214.313 -0.271 20 0 BBADRP CC[NH2+]CCNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000891996172 582756997 /nfs/dbraw/zinc/75/69/97/582756997.db2.gz YTUCSCUHDOQYLI-JTQLQIEISA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH2+]CCNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000891996173 582756828 /nfs/dbraw/zinc/75/68/28/582756828.db2.gz YTUCSCUHDOQYLI-SNVBAGLBSA-N 2 0 228.340 -0.011 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891996770 582757394 /nfs/dbraw/zinc/75/73/94/582757394.db2.gz FSMBPOWMHBWAJH-AOOOYVTPSA-N 2 0 226.324 -0.258 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891996850 582757414 /nfs/dbraw/zinc/75/74/14/582757414.db2.gz JCVVKQHSCSURKZ-DTORHVGOSA-N 2 0 214.313 -0.368 20 0 BBADRP CC[NH2+]CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891996851 582757280 /nfs/dbraw/zinc/75/72/80/582757280.db2.gz JCVVKQHSCSURKZ-KYZUINATSA-N 2 0 214.313 -0.368 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891996922 582757397 /nfs/dbraw/zinc/75/73/97/582757397.db2.gz LSNJBCRMIFTTKL-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891996923 582757441 /nfs/dbraw/zinc/75/74/41/582757441.db2.gz LSNJBCRMIFTTKL-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891996924 582757430 /nfs/dbraw/zinc/75/74/30/582757430.db2.gz LSNJBCRMIFTTKL-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891996925 582757292 /nfs/dbraw/zinc/75/72/92/582757292.db2.gz LSNJBCRMIFTTKL-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891997083 582757483 /nfs/dbraw/zinc/75/74/83/582757483.db2.gz SABOPGBAQAQYCN-IUCAKERBSA-N 2 0 212.297 -0.648 20 0 BBADRP CC[NH2+]CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891997191 582757405 /nfs/dbraw/zinc/75/74/05/582757405.db2.gz WZGYFDDCXDXCDR-CMPLNLGQSA-N 2 0 240.351 -0.153 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891998138 582757904 /nfs/dbraw/zinc/75/79/04/582757904.db2.gz DJWWVUIFHYFAKU-DCAQKATOSA-N 2 0 238.335 -0.258 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891998139 582757992 /nfs/dbraw/zinc/75/79/92/582757992.db2.gz DJWWVUIFHYFAKU-VWYCJHECSA-N 2 0 238.335 -0.258 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000891999840 582758433 /nfs/dbraw/zinc/75/84/33/582758433.db2.gz OQOVYIXSTCEOAN-NXEZZACHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000891999841 582758353 /nfs/dbraw/zinc/75/83/53/582758353.db2.gz OQOVYIXSTCEOAN-VHSXEESVSA-N 2 0 226.324 -0.129 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892001139 582758262 /nfs/dbraw/zinc/75/82/62/582758262.db2.gz FCKCLTHWHXOVRK-CIUDSAMLSA-N 2 0 210.281 -0.896 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892001140 582758418 /nfs/dbraw/zinc/75/84/18/582758418.db2.gz FCKCLTHWHXOVRK-VGMNWLOBSA-N 2 0 210.281 -0.896 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000892001330 582758051 /nfs/dbraw/zinc/75/80/51/582758051.db2.gz FNERRLFNZPRKGM-HLTSFMKQSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000892001331 582758172 /nfs/dbraw/zinc/75/81/72/582758172.db2.gz FNERRLFNZPRKGM-HRDYMLBCSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000892001334 582757974 /nfs/dbraw/zinc/75/79/74/582757974.db2.gz FNERRLFNZPRKGM-IWSPIJDZSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000892001336 582758244 /nfs/dbraw/zinc/75/82/44/582758244.db2.gz FNERRLFNZPRKGM-VGMNWLOBSA-N 2 0 212.297 -0.521 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892001349 582758096 /nfs/dbraw/zinc/75/80/96/582758096.db2.gz FSGNJTHFFJSCJI-BBBLOLIVSA-N 2 0 224.308 -0.506 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892001351 582758793 /nfs/dbraw/zinc/75/87/93/582758793.db2.gz FSGNJTHFFJSCJI-LPEHRKFASA-N 2 0 224.308 -0.506 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892001895 582758771 /nfs/dbraw/zinc/75/87/71/582758771.db2.gz JNZHCHVRHHFQGF-CKYFFXLPSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892001896 582758802 /nfs/dbraw/zinc/75/88/02/582758802.db2.gz JNZHCHVRHHFQGF-FOGDFJRCSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892001897 582758831 /nfs/dbraw/zinc/75/88/31/582758831.db2.gz JNZHCHVRHHFQGF-JFGNBEQYSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892001898 582759040 /nfs/dbraw/zinc/75/90/40/582759040.db2.gz JNZHCHVRHHFQGF-SCVCMEIPSA-N 2 0 238.335 -0.068 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CC[NH2+]C1)C2 ZINC000892002012 582759004 /nfs/dbraw/zinc/75/90/04/582759004.db2.gz JXHSXLITQOQHBZ-HOSYDEDBSA-N 2 0 238.335 -0.401 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1CC[NH2+]C1)C2 ZINC000892002013 582758849 /nfs/dbraw/zinc/75/88/49/582758849.db2.gz JXHSXLITQOQHBZ-JBLDHEPKSA-N 2 0 238.335 -0.401 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892003584 582759139 /nfs/dbraw/zinc/75/91/39/582759139.db2.gz WTCQINSVXVZGDB-GMTAPVOTSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892003585 582759115 /nfs/dbraw/zinc/75/91/15/582759115.db2.gz WTCQINSVXVZGDB-MXWKQRLJSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892003586 582759096 /nfs/dbraw/zinc/75/90/96/582759096.db2.gz WTCQINSVXVZGDB-OUAUKWLOSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892003587 582758981 /nfs/dbraw/zinc/75/89/81/582758981.db2.gz WTCQINSVXVZGDB-VWYCJHECSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892003996 582759087 /nfs/dbraw/zinc/75/90/87/582759087.db2.gz ATWAZESFXKDRDB-GARJFASQSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892003997 582758809 /nfs/dbraw/zinc/75/88/09/582758809.db2.gz ATWAZESFXKDRDB-MXWKQRLJSA-N 2 0 238.335 -0.116 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000892005407 582759450 /nfs/dbraw/zinc/75/94/50/582759450.db2.gz OHTDFKABDLCMLG-AEJSXWLSSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000892005408 582759637 /nfs/dbraw/zinc/75/96/37/582759637.db2.gz OHTDFKABDLCMLG-GUBZILKMSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000892005409 582759800 /nfs/dbraw/zinc/75/98/00/582759800.db2.gz OHTDFKABDLCMLG-KXUCPTDWSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000892005410 582759261 /nfs/dbraw/zinc/75/92/61/582759261.db2.gz OHTDFKABDLCMLG-OPRDCNLKSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892005726 582759691 /nfs/dbraw/zinc/75/96/91/582759691.db2.gz QTLRSMMBRSBVAT-BBBLOLIVSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000892005727 582759807 /nfs/dbraw/zinc/75/98/07/582759807.db2.gz QTLRSMMBRSBVAT-KXUCPTDWSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000892005728 582759563 /nfs/dbraw/zinc/75/95/63/582759563.db2.gz QTLRSMMBRSBVAT-OPRDCNLKSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892005729 582759537 /nfs/dbraw/zinc/75/95/37/582759537.db2.gz QTLRSMMBRSBVAT-UTLUCORTSA-N 2 0 226.324 -0.131 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892006079 582759723 /nfs/dbraw/zinc/75/97/23/582759723.db2.gz WELIBQDSVBJSJT-GUBZILKMSA-N 2 0 224.308 -0.506 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892006080 582759398 /nfs/dbraw/zinc/75/93/98/582759398.db2.gz WELIBQDSVBJSJT-UTLUCORTSA-N 2 0 224.308 -0.506 20 0 BBADRP CC(C)([NH3+])CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000892006428 582760471 /nfs/dbraw/zinc/76/04/71/582760471.db2.gz FKEVTVSABQHDJJ-MRVPVSSYSA-N 2 0 214.313 -0.225 20 0 BBADRP CC(C)([NH3+])CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000892006429 582760209 /nfs/dbraw/zinc/76/02/09/582760209.db2.gz FKEVTVSABQHDJJ-QMMMGPOBSA-N 2 0 214.313 -0.225 20 0 BBADRP CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000892007231 582760758 /nfs/dbraw/zinc/76/07/58/582760758.db2.gz PGPGTWUNMZJFRU-NXEZZACHSA-N 2 0 226.324 -0.258 20 0 BBADRP CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000892007232 582760801 /nfs/dbraw/zinc/76/08/01/582760801.db2.gz PGPGTWUNMZJFRU-UWVGGRQHSA-N 2 0 226.324 -0.258 20 0 BBADRP CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000892007233 582760960 /nfs/dbraw/zinc/76/09/60/582760960.db2.gz PGPGTWUNMZJFRU-VHSXEESVSA-N 2 0 226.324 -0.258 20 0 BBADRP CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000892007234 582760711 /nfs/dbraw/zinc/76/07/11/582760711.db2.gz PGPGTWUNMZJFRU-ZJUUUORDSA-N 2 0 226.324 -0.258 20 0 BBADRP Nc1cc[nH+]c(CNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000892008073 582760692 /nfs/dbraw/zinc/76/06/92/582760692.db2.gz SEBFYMJQJPWMKX-SECBINFHSA-N 2 0 235.291 -0.175 20 0 BBADRP Nc1cc[nH+]c(CNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000892008151 582761034 /nfs/dbraw/zinc/76/10/34/582761034.db2.gz SEBFYMJQJPWMKX-VIFPVBQESA-N 2 0 235.291 -0.175 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000892014923 582760685 /nfs/dbraw/zinc/76/06/85/582760685.db2.gz JVUXYKYECKHMLY-BBBLOLIVSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892014924 582760704 /nfs/dbraw/zinc/76/07/04/582760704.db2.gz JVUXYKYECKHMLY-KXUCPTDWSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892014925 582761155 /nfs/dbraw/zinc/76/11/55/582761155.db2.gz JVUXYKYECKHMLY-OPRDCNLKSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000892014926 582760757 /nfs/dbraw/zinc/76/07/57/582760757.db2.gz JVUXYKYECKHMLY-UTLUCORTSA-N 2 0 226.324 -0.131 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000892015669 582761505 /nfs/dbraw/zinc/76/15/05/582761505.db2.gz BYJOVHWREFDOHO-AEJSXWLSSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000892015670 582761708 /nfs/dbraw/zinc/76/17/08/582761708.db2.gz BYJOVHWREFDOHO-GUBZILKMSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000892015672 582761841 /nfs/dbraw/zinc/76/18/41/582761841.db2.gz BYJOVHWREFDOHO-KXUCPTDWSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000892015674 582761802 /nfs/dbraw/zinc/76/18/02/582761802.db2.gz BYJOVHWREFDOHO-OPRDCNLKSA-N 2 0 226.324 -0.225 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892016052 582761819 /nfs/dbraw/zinc/76/18/19/582761819.db2.gz SXVJSECRUMCOND-GUBZILKMSA-N 2 0 224.308 -0.506 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892016053 582761742 /nfs/dbraw/zinc/76/17/42/582761742.db2.gz SXVJSECRUMCOND-UTLUCORTSA-N 2 0 224.308 -0.506 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892016080 582761731 /nfs/dbraw/zinc/76/17/31/582761731.db2.gz TWZXTAAKZDVVOK-GARJFASQSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892016081 582761817 /nfs/dbraw/zinc/76/18/17/582761817.db2.gz TWZXTAAKZDVVOK-MXWKQRLJSA-N 2 0 238.335 -0.116 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892019693 582762255 /nfs/dbraw/zinc/76/22/55/582762255.db2.gz RHVVSOLSBXOZMW-GUBZILKMSA-N 2 0 226.324 -0.275 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892019695 582762323 /nfs/dbraw/zinc/76/23/23/582762323.db2.gz RHVVSOLSBXOZMW-LPEHRKFASA-N 2 0 226.324 -0.275 20 0 BBADRP [NH3+]C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000892022686 582763406 /nfs/dbraw/zinc/76/34/06/582763406.db2.gz COJMVOBCJQZLRA-AXFHLTTASA-N 2 0 238.335 -0.131 20 0 BBADRP [NH3+]C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000892022687 582763725 /nfs/dbraw/zinc/76/37/25/582763725.db2.gz COJMVOBCJQZLRA-OUAUKWLOSA-N 2 0 238.335 -0.131 20 0 BBADRP [NH3+]C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000892023273 582764599 /nfs/dbraw/zinc/76/45/99/582764599.db2.gz IHEYJBDEZIOJQD-GUBZILKMSA-N 2 0 224.308 -0.521 20 0 BBADRP [NH3+]C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000892023276 582764167 /nfs/dbraw/zinc/76/41/67/582764167.db2.gz IHEYJBDEZIOJQD-LPEHRKFASA-N 2 0 224.308 -0.521 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000892023959 582764745 /nfs/dbraw/zinc/76/47/45/582764745.db2.gz MYONXCVYUIEMIB-FKTZTGRPSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000892023960 582764366 /nfs/dbraw/zinc/76/43/66/582764366.db2.gz MYONXCVYUIEMIB-JEZHCXPESA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000892023961 582764603 /nfs/dbraw/zinc/76/46/03/582764603.db2.gz MYONXCVYUIEMIB-QNSHHTMESA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000892023962 582764218 /nfs/dbraw/zinc/76/42/18/582764218.db2.gz MYONXCVYUIEMIB-SZEHBUNVSA-N 2 0 226.324 -0.145 20 0 BBADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000892026490 582765611 /nfs/dbraw/zinc/76/56/11/582765611.db2.gz GNYUWBMUMCAERL-FKTZTGRPSA-N 2 0 226.324 -0.240 20 0 BBADRP [NH3+]C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000892026492 582765370 /nfs/dbraw/zinc/76/53/70/582765370.db2.gz GNYUWBMUMCAERL-HGNGGELXSA-N 2 0 226.324 -0.240 20 0 BBADRP [NH3+]C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000892026493 582765263 /nfs/dbraw/zinc/76/52/63/582765263.db2.gz GNYUWBMUMCAERL-SFGNSQDASA-N 2 0 226.324 -0.240 20 0 BBADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000892026494 582765553 /nfs/dbraw/zinc/76/55/53/582765553.db2.gz GNYUWBMUMCAERL-SZEHBUNVSA-N 2 0 226.324 -0.240 20 0 BBADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000892026558 582765400 /nfs/dbraw/zinc/76/54/00/582765400.db2.gz HTFRABANPPSTAE-NXEZZACHSA-N 2 0 226.324 -0.144 20 0 BBADRP [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000892026559 582765665 /nfs/dbraw/zinc/76/56/65/582765665.db2.gz HTFRABANPPSTAE-ZJUUUORDSA-N 2 0 226.324 -0.144 20 0 BBADRP CC(C)([NH3+])CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892034189 582767279 /nfs/dbraw/zinc/76/72/79/582767279.db2.gz LSSYAFXFOYTPII-YUMQZZPRSA-N 2 0 212.297 -0.521 20 0 BBADRP CC(C)([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892034195 582767677 /nfs/dbraw/zinc/76/76/77/582767677.db2.gz LYFOPALBJXNNEJ-DTORHVGOSA-N 2 0 226.324 -0.131 20 0 BBADRP CC(C)([NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892034406 582768715 /nfs/dbraw/zinc/76/87/15/582768715.db2.gz OSSKGXWOZBBOSQ-OCAPTIKFSA-N 2 0 214.313 -0.240 20 0 BBADRP CC(C)([NH3+])CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892034408 582768130 /nfs/dbraw/zinc/76/81/30/582768130.db2.gz OSSKGXWOZBBOSQ-ZKCHVHJHSA-N 2 0 214.313 -0.240 20 0 BBADRP CC(C)([NH3+])CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892034564 582766732 /nfs/dbraw/zinc/76/67/32/582766732.db2.gz QCXZIBLLBBGVIG-JOYOIKCWSA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC(C)(C)[NH3+] ZINC000892035046 582768342 /nfs/dbraw/zinc/76/83/42/582768342.db2.gz ZYSDEWSVCMSOBP-HTQZYQBOSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC(C)(C)[NH3+] ZINC000892035048 582768774 /nfs/dbraw/zinc/76/87/74/582768774.db2.gz ZYSDEWSVCMSOBP-JGVFFNPUSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC(C)(C)[NH3+] ZINC000892035049 582768721 /nfs/dbraw/zinc/76/87/21/582768721.db2.gz ZYSDEWSVCMSOBP-SFYZADRCSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC(C)(C)[NH3+] ZINC000892035055 582768325 /nfs/dbraw/zinc/76/83/25/582768325.db2.gz ZYSDEWSVCMSOBP-YUMQZZPRSA-N 2 0 214.313 -0.145 20 0 BBADRP CC(C)([NH3+])CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892035056 582768200 /nfs/dbraw/zinc/76/82/00/582768200.db2.gz ZYYMWBRMJGPVFZ-MRVPVSSYSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892043180 582770583 /nfs/dbraw/zinc/77/05/83/582770583.db2.gz ASHURQUEWVIISP-BBBLOLIVSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892043181 582770577 /nfs/dbraw/zinc/77/05/77/582770577.db2.gz ASHURQUEWVIISP-LPEHRKFASA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892043194 582770769 /nfs/dbraw/zinc/77/07/69/582770769.db2.gz AVANBSXLPQWXOA-DTWKUNHWSA-N 2 0 214.313 -0.286 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892043195 582770613 /nfs/dbraw/zinc/77/06/13/582770613.db2.gz AVANBSXLPQWXOA-RKDXNWHRSA-N 2 0 214.313 -0.286 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892044062 582770732 /nfs/dbraw/zinc/77/07/32/582770732.db2.gz GVKAINJCXJHPEL-CIUDSAMLSA-N 2 0 212.297 -0.663 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892044063 582770524 /nfs/dbraw/zinc/77/05/24/582770524.db2.gz GVKAINJCXJHPEL-VGMNWLOBSA-N 2 0 212.297 -0.663 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892045186 582772408 /nfs/dbraw/zinc/77/24/08/582772408.db2.gz REVARCHCKDTSBP-JBLDHEPKSA-N 2 0 240.351 -0.168 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892045188 582772098 /nfs/dbraw/zinc/77/20/98/582772098.db2.gz REVARCHCKDTSBP-JFGNBEQYSA-N 2 0 240.351 -0.168 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892045195 582773187 /nfs/dbraw/zinc/77/31/87/582773187.db2.gz RFZNAIZVMVUWLA-CIUDSAMLSA-N 2 0 214.313 -0.382 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892045196 582772699 /nfs/dbraw/zinc/77/26/99/582772699.db2.gz RFZNAIZVMVUWLA-HLTSFMKQSA-N 2 0 214.313 -0.382 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892045198 582772624 /nfs/dbraw/zinc/77/26/24/582772624.db2.gz RFZNAIZVMVUWLA-IWSPIJDZSA-N 2 0 214.313 -0.382 20 0 BBADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892045201 582772830 /nfs/dbraw/zinc/77/28/30/582772830.db2.gz RFZNAIZVMVUWLA-XHNCKOQMSA-N 2 0 214.313 -0.382 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892045318 582772767 /nfs/dbraw/zinc/77/27/67/582772767.db2.gz SFFYVDPGFVGQTH-HLTSFMKQSA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892045319 582773395 /nfs/dbraw/zinc/77/33/95/582773395.db2.gz SFFYVDPGFVGQTH-HRDYMLBCSA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892045320 582773474 /nfs/dbraw/zinc/77/34/74/582773474.db2.gz SFFYVDPGFVGQTH-IWSPIJDZSA-N 2 0 214.313 -0.288 20 0 BBADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892045321 582773054 /nfs/dbraw/zinc/77/30/54/582773054.db2.gz SFFYVDPGFVGQTH-VGMNWLOBSA-N 2 0 214.313 -0.288 20 0 BBADRP CCN(C(=O)NC[C@H](C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892045967 582771589 /nfs/dbraw/zinc/77/15/89/582771589.db2.gz XULXFZPTDQJLPH-NXEZZACHSA-N 2 0 228.340 -0.025 20 0 BBADRP CCN(C(=O)NC[C@@H](C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000892045968 582771115 /nfs/dbraw/zinc/77/11/15/582771115.db2.gz XULXFZPTDQJLPH-UWVGGRQHSA-N 2 0 228.340 -0.025 20 0 BBADRP CCN(C(=O)NC[C@@H](C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892045969 582771803 /nfs/dbraw/zinc/77/18/03/582771803.db2.gz XULXFZPTDQJLPH-VHSXEESVSA-N 2 0 228.340 -0.025 20 0 BBADRP CCN(C(=O)NC[C@H](C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000892045970 582771549 /nfs/dbraw/zinc/77/15/49/582771549.db2.gz XULXFZPTDQJLPH-ZJUUUORDSA-N 2 0 228.340 -0.025 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000892046448 582771706 /nfs/dbraw/zinc/77/17/06/582771706.db2.gz JVUXYKYECKHMLY-AEJSXWLSSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000892046449 582771669 /nfs/dbraw/zinc/77/16/69/582771669.db2.gz JVUXYKYECKHMLY-GUBZILKMSA-N 2 0 226.324 -0.131 20 0 BBADRP O=C(NCC1C[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892047186 582772253 /nfs/dbraw/zinc/77/22/53/582772253.db2.gz JHTJCTIAUYAIQZ-AOOOYVTPSA-N 2 0 224.308 -0.648 20 0 BBADRP [NH3+]CC12CCC(CC1)N2C(=O)NCC1C[NH2+]C1 ZINC000892047234 582772297 /nfs/dbraw/zinc/77/22/97/582772297.db2.gz LDGXJKDMQJVBDK-UHFFFAOYSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+][C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000892047721 582773015 /nfs/dbraw/zinc/77/30/15/582773015.db2.gz BCVCNKYKYWTJAA-AXFHLTTASA-N 2 0 238.335 -0.131 20 0 BBADRP [NH3+][C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000892047722 582773399 /nfs/dbraw/zinc/77/33/99/582773399.db2.gz BCVCNKYKYWTJAA-OUAUKWLOSA-N 2 0 238.335 -0.131 20 0 BBADRP C[N@@H+]1CCN(C(=O)NCC2C[NH2+]C2)CC1(C)C ZINC000892048307 582773356 /nfs/dbraw/zinc/77/33/56/582773356.db2.gz IYUDCQLRPCEOPD-UHFFFAOYSA-N 2 0 240.351 -0.059 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1C(=O)NCC1C[NH2+]C1 ZINC000892048313 582772559 /nfs/dbraw/zinc/77/25/59/582772559.db2.gz JBKJAWLZWOODOA-JTQLQIEISA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+]C[C@H]1CCCCN1C(=O)NCC1C[NH2+]C1 ZINC000892048314 582773033 /nfs/dbraw/zinc/77/30/33/582773033.db2.gz JBKJAWLZWOODOA-SNVBAGLBSA-N 2 0 226.324 -0.271 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC1C[NH2+]C1)C2 ZINC000892048400 582774505 /nfs/dbraw/zinc/77/45/05/582774505.db2.gz KKOPLMNRMDRBHR-CMPLNLGQSA-N 2 0 238.335 -0.543 20 0 BBADRP CC(C)([NH3+])CCNC(=O)NCC1C[NH2+]C1 ZINC000892048816 582774390 /nfs/dbraw/zinc/77/43/90/582774390.db2.gz OOARTOYXUDVKHQ-UHFFFAOYSA-N 2 0 214.313 -0.368 20 0 BBADRP CCN(C(=O)NCC1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000892048834 582774238 /nfs/dbraw/zinc/77/42/38/582774238.db2.gz OZJCVOQGFXRRRK-JTQLQIEISA-N 2 0 226.324 -0.401 20 0 BBADRP CCN(C(=O)NCC1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000892048836 582773811 /nfs/dbraw/zinc/77/38/11/582773811.db2.gz OZJCVOQGFXRRRK-SNVBAGLBSA-N 2 0 226.324 -0.401 20 0 BBADRP O=C(NCC1C[NH2+]C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892049173 582774022 /nfs/dbraw/zinc/77/40/22/582774022.db2.gz SIIOELQCYRNKHX-CMPLNLGQSA-N 2 0 238.335 -0.210 20 0 BBADRP O=C(NCC1C[NH2+]C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892049175 582773752 /nfs/dbraw/zinc/77/37/52/582773752.db2.gz SIIOELQCYRNKHX-JQWIXIFHSA-N 2 0 238.335 -0.210 20 0 BBADRP O=C(NCC1C[NH2+]C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892049177 582773823 /nfs/dbraw/zinc/77/38/23/582773823.db2.gz SIIOELQCYRNKHX-PWSUYJOCSA-N 2 0 238.335 -0.210 20 0 BBADRP O=C(NCC1C[NH2+]C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892049179 582774273 /nfs/dbraw/zinc/77/42/73/582774273.db2.gz SIIOELQCYRNKHX-ZYHUDNBSSA-N 2 0 238.335 -0.210 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892049403 582774531 /nfs/dbraw/zinc/77/45/31/582774531.db2.gz UAFXTGUWOWPEFC-FKTZTGRPSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000892049404 582774253 /nfs/dbraw/zinc/77/42/53/582774253.db2.gz UAFXTGUWOWPEFC-JEZHCXPESA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000892049405 582773810 /nfs/dbraw/zinc/77/38/10/582773810.db2.gz UAFXTGUWOWPEFC-QNSHHTMESA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892049406 582773861 /nfs/dbraw/zinc/77/38/61/582773861.db2.gz UAFXTGUWOWPEFC-SZEHBUNVSA-N 2 0 226.324 -0.145 20 0 BBADRP [NH3+][C@H](CNC(=O)NC[C@@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000892049415 582774010 /nfs/dbraw/zinc/77/40/10/582774010.db2.gz UJMAKDGHPIZTAR-FKTZTGRPSA-N 2 0 226.324 -0.240 20 0 BBADRP [NH3+][C@@H](CNC(=O)NC[C@@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000892049416 582774190 /nfs/dbraw/zinc/77/41/90/582774190.db2.gz UJMAKDGHPIZTAR-HGNGGELXSA-N 2 0 226.324 -0.240 20 0 BBADRP [NH3+][C@@H](CNC(=O)NC[C@@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000892049417 582774006 /nfs/dbraw/zinc/77/40/06/582774006.db2.gz UJMAKDGHPIZTAR-SFGNSQDASA-N 2 0 226.324 -0.240 20 0 BBADRP [NH3+][C@H](CNC(=O)NC[C@@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000892049418 582774535 /nfs/dbraw/zinc/77/45/35/582774535.db2.gz UJMAKDGHPIZTAR-SZEHBUNVSA-N 2 0 226.324 -0.240 20 0 BBADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCC1C[NH2+]C1 ZINC000892049458 582773974 /nfs/dbraw/zinc/77/39/74/582773974.db2.gz VNYRRLXBXJFNRA-LLVKDONJSA-N 2 0 240.351 -0.011 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000892049485 582774483 /nfs/dbraw/zinc/77/44/83/582774483.db2.gz WJWKYXTXQIPPHS-NXEZZACHSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000892049486 582774154 /nfs/dbraw/zinc/77/41/54/582774154.db2.gz WJWKYXTXQIPPHS-UWVGGRQHSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000892049687 582773798 /nfs/dbraw/zinc/77/37/98/582773798.db2.gz WJWKYXTXQIPPHS-VHSXEESVSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000892049688 582774241 /nfs/dbraw/zinc/77/42/41/582774241.db2.gz WJWKYXTXQIPPHS-ZJUUUORDSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000892049744 582775445 /nfs/dbraw/zinc/77/54/45/582775445.db2.gz YEAQGZJODLMYGA-GUBZILKMSA-N 2 0 224.308 -0.521 20 0 BBADRP [NH3+][C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000892049745 582775053 /nfs/dbraw/zinc/77/50/53/582775053.db2.gz YEAQGZJODLMYGA-LPEHRKFASA-N 2 0 224.308 -0.521 20 0 BBADRP COCC[NH2+]CCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892050254 582776409 /nfs/dbraw/zinc/77/64/09/582776409.db2.gz BKRWTLOFTYHSOE-NXEZZACHSA-N 2 0 244.339 -0.647 20 0 BBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892050255 582776012 /nfs/dbraw/zinc/77/60/12/582776012.db2.gz BKRWTLOFTYHSOE-UWVGGRQHSA-N 2 0 244.339 -0.647 20 0 BBADRP COCC[NH2+]CCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892050256 582776327 /nfs/dbraw/zinc/77/63/27/582776327.db2.gz BKRWTLOFTYHSOE-VHSXEESVSA-N 2 0 244.339 -0.647 20 0 BBADRP COCC[NH2+]CCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892050257 582775598 /nfs/dbraw/zinc/77/55/98/582775598.db2.gz BKRWTLOFTYHSOE-ZJUUUORDSA-N 2 0 244.339 -0.647 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892051560 582775368 /nfs/dbraw/zinc/77/53/68/582775368.db2.gz UMZPZXZZFSGYGX-NXEZZACHSA-N 2 0 226.324 -0.144 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000892051561 582775291 /nfs/dbraw/zinc/77/52/91/582775291.db2.gz UMZPZXZZFSGYGX-ZJUUUORDSA-N 2 0 226.324 -0.144 20 0 BBADRP COCC[NH2+]CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892051928 582775058 /nfs/dbraw/zinc/77/50/58/582775058.db2.gz YKTPMBNZTCWSTN-AOOOYVTPSA-N 2 0 244.339 -0.741 20 0 BBADRP COCC[NH2+]CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892051929 582774949 /nfs/dbraw/zinc/77/49/49/582774949.db2.gz YKTPMBNZTCWSTN-MGCOHNPYSA-N 2 0 244.339 -0.741 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892052494 582776166 /nfs/dbraw/zinc/77/61/66/582776166.db2.gz CMPUDTARHWGOJO-DTWKUNHWSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892052495 582776097 /nfs/dbraw/zinc/77/60/97/582776097.db2.gz CMPUDTARHWGOJO-RKDXNWHRSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH3+])CCC1 ZINC000892052866 582775704 /nfs/dbraw/zinc/77/57/04/582775704.db2.gz FWYDBYSUXSEOQN-BDAKNGLRSA-N 2 0 226.324 -0.001 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH3+])CCC1 ZINC000892052867 582775931 /nfs/dbraw/zinc/77/59/31/582775931.db2.gz FWYDBYSUXSEOQN-DTWKUNHWSA-N 2 0 226.324 -0.001 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH3+])CCC1 ZINC000892052868 582775653 /nfs/dbraw/zinc/77/56/53/582775653.db2.gz FWYDBYSUXSEOQN-IUCAKERBSA-N 2 0 226.324 -0.001 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH3+])CCC1 ZINC000892052869 582775837 /nfs/dbraw/zinc/77/58/37/582775837.db2.gz FWYDBYSUXSEOQN-RKDXNWHRSA-N 2 0 226.324 -0.001 20 0 BBADRP [NH3+]C1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1 ZINC000892053183 582775632 /nfs/dbraw/zinc/77/56/32/582775632.db2.gz JSFGDLAVRNPPSW-IUCAKERBSA-N 2 0 224.308 -0.377 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892053283 582776064 /nfs/dbraw/zinc/77/60/64/582776064.db2.gz KXKSKQYOMYLJLE-JBLDHEPKSA-N 2 0 240.351 -0.025 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892053287 582776381 /nfs/dbraw/zinc/77/63/81/582776381.db2.gz KXKSKQYOMYLJLE-JFGNBEQYSA-N 2 0 240.351 -0.025 20 0 BBADRP COCC[NH2+]CCNC(=O)NCCC(C)(C)[NH3+] ZINC000892053788 582777323 /nfs/dbraw/zinc/77/73/23/582777323.db2.gz ACUQVEXWWFVTSM-UHFFFAOYSA-N 2 0 246.355 -0.351 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC2([NH3+])CCC2)C1 ZINC000892055380 582778330 /nfs/dbraw/zinc/77/83/30/582778330.db2.gz ZBXYGPVVOVGPOL-DTORHVGOSA-N 2 0 226.324 -0.096 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC2([NH3+])CCC2)C1 ZINC000892055381 582778391 /nfs/dbraw/zinc/77/83/91/582778391.db2.gz ZBXYGPVVOVGPOL-KYZUINATSA-N 2 0 226.324 -0.096 20 0 BBADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892055649 582778351 /nfs/dbraw/zinc/77/83/51/582778351.db2.gz LFSWUPHXQJOAOX-SNVBAGLBSA-N 2 0 244.339 -0.645 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892056012 582777547 /nfs/dbraw/zinc/77/75/47/582777547.db2.gz PPTJCAQCGGHJHW-HLTSFMKQSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892056166 582777820 /nfs/dbraw/zinc/77/78/20/582777820.db2.gz PPTJCAQCGGHJHW-HRDYMLBCSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892056167 582777823 /nfs/dbraw/zinc/77/78/23/582777823.db2.gz PPTJCAQCGGHJHW-IWSPIJDZSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892056168 582778238 /nfs/dbraw/zinc/77/82/38/582778238.db2.gz PPTJCAQCGGHJHW-VGMNWLOBSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892056209 582777765 /nfs/dbraw/zinc/77/77/65/582777765.db2.gz QTRCXQQXBMMTGR-BBBLOLIVSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892056210 582778074 /nfs/dbraw/zinc/77/80/74/582778074.db2.gz QTRCXQQXBMMTGR-LPEHRKFASA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892056789 582777143 /nfs/dbraw/zinc/77/71/43/582777143.db2.gz VBTKKKXZJHOOJE-CIUDSAMLSA-N 2 0 214.313 -0.240 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892056790 582777074 /nfs/dbraw/zinc/77/70/74/582777074.db2.gz VBTKKKXZJHOOJE-HLTSFMKQSA-N 2 0 214.313 -0.240 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892056791 582777226 /nfs/dbraw/zinc/77/72/26/582777226.db2.gz VBTKKKXZJHOOJE-IWSPIJDZSA-N 2 0 214.313 -0.240 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892056793 582776738 /nfs/dbraw/zinc/77/67/38/582776738.db2.gz VBTKKKXZJHOOJE-XHNCKOQMSA-N 2 0 214.313 -0.240 20 0 BBADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892057263 582776942 /nfs/dbraw/zinc/77/69/42/582776942.db2.gz XFXGWNRAJVARHL-CIUDSAMLSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892057265 582777183 /nfs/dbraw/zinc/77/71/83/582777183.db2.gz XFXGWNRAJVARHL-VGMNWLOBSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892060921 582779937 /nfs/dbraw/zinc/77/99/37/582779937.db2.gz AFDRBUAJRDDKDP-FXPVBKGRSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892060924 582779935 /nfs/dbraw/zinc/77/99/35/582779935.db2.gz AFDRBUAJRDDKDP-KKZNHRDASA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892060925 582780224 /nfs/dbraw/zinc/78/02/24/582780224.db2.gz AFDRBUAJRDDKDP-WCABBAIRSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892060926 582780259 /nfs/dbraw/zinc/78/02/59/582780259.db2.gz AFDRBUAJRDDKDP-YWVKMMECSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892061352 582780244 /nfs/dbraw/zinc/78/02/44/582780244.db2.gz GOZSOPVBZSFTME-BBBLOLIVSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892061353 582780018 /nfs/dbraw/zinc/78/00/18/582780018.db2.gz GOZSOPVBZSFTME-KXUCPTDWSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892061355 582780141 /nfs/dbraw/zinc/78/01/41/582780141.db2.gz GOZSOPVBZSFTME-OPRDCNLKSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892061357 582779986 /nfs/dbraw/zinc/77/99/86/582779986.db2.gz GOZSOPVBZSFTME-UTLUCORTSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892061681 582779830 /nfs/dbraw/zinc/77/98/30/582779830.db2.gz JXMZVRBEMQAPTM-RKDXNWHRSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892062298 582780831 /nfs/dbraw/zinc/78/08/31/582780831.db2.gz RCNZRFOYABVFLI-WCABBAIRSA-N 2 0 226.324 -0.416 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892062729 582780579 /nfs/dbraw/zinc/78/05/79/582780579.db2.gz ROFXZANMFJYCLF-HLTSFMKQSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892062767 582780789 /nfs/dbraw/zinc/78/07/89/582780789.db2.gz SZGHCLYOAIDQSF-BWZBUEFSSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892062768 582780481 /nfs/dbraw/zinc/78/04/81/582780481.db2.gz SZGHCLYOAIDQSF-CSMHCCOUSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892062769 582780591 /nfs/dbraw/zinc/78/05/91/582780591.db2.gz SZGHCLYOAIDQSF-GJMOJQLCSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892062770 582780511 /nfs/dbraw/zinc/78/05/11/582780511.db2.gz SZGHCLYOAIDQSF-PRJMDXOYSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892062772 582780621 /nfs/dbraw/zinc/78/06/21/582780621.db2.gz TVEBITGLJCPSND-FKTRJACZSA-N 2 0 226.324 -0.001 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892063221 582780708 /nfs/dbraw/zinc/78/07/08/582780708.db2.gz HXXICKHRMKKYJZ-HTQZYQBOSA-N 2 0 200.286 -0.534 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892063286 582780747 /nfs/dbraw/zinc/78/07/47/582780747.db2.gz IOYZUNJGTYUKRI-HLTSFMKQSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892063289 582780888 /nfs/dbraw/zinc/78/08/88/582780888.db2.gz IOYZUNJGTYUKRI-HRDYMLBCSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892063290 582780557 /nfs/dbraw/zinc/78/05/57/582780557.db2.gz IOYZUNJGTYUKRI-IWSPIJDZSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892063292 582780468 /nfs/dbraw/zinc/78/04/68/582780468.db2.gz IOYZUNJGTYUKRI-VGMNWLOBSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@H](C[NH3+])NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892063466 582781301 /nfs/dbraw/zinc/78/13/01/582781301.db2.gz JXMZVRBEMQAPTM-BDAKNGLRSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@H](C[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892064056 582782508 /nfs/dbraw/zinc/78/25/08/582782508.db2.gz SEBMONFMLFIBFD-SSDOTTSWSA-N 2 0 202.302 -0.240 20 0 BBADRP CCN(C(=O)N[C@H](C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000892064663 582782033 /nfs/dbraw/zinc/78/20/33/582782033.db2.gz YHORGININBKNHA-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP CCN(C(=O)N[C@H](C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892064664 582782163 /nfs/dbraw/zinc/78/21/63/582782163.db2.gz YHORGININBKNHA-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP O=C(NCC1=CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892067444 582783182 /nfs/dbraw/zinc/78/31/82/582783182.db2.gz SSDNALJJBFPHJE-QWRGUYRKSA-N 2 0 236.319 -0.338 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892079548 582786919 /nfs/dbraw/zinc/78/69/19/582786919.db2.gz XXDGQVSZYQCZAI-NAKRPEOUSA-N 2 0 238.335 -0.260 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892079549 582786648 /nfs/dbraw/zinc/78/66/48/582786648.db2.gz XXDGQVSZYQCZAI-RCWTZXSCSA-N 2 0 238.335 -0.260 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892079550 582787056 /nfs/dbraw/zinc/78/70/56/582787056.db2.gz XXDGQVSZYQCZAI-VPOLOUISSA-N 2 0 238.335 -0.260 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892079551 582786981 /nfs/dbraw/zinc/78/69/81/582786981.db2.gz XXDGQVSZYQCZAI-XWLWVQCSSA-N 2 0 238.335 -0.260 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892081336 582787337 /nfs/dbraw/zinc/78/73/37/582787337.db2.gz IZTDZLFTGRCHCR-DCAQKATOSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892081337 582787398 /nfs/dbraw/zinc/78/73/98/582787398.db2.gz IZTDZLFTGRCHCR-VWYCJHECSA-N 2 0 238.335 -0.116 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892084116 582788163 /nfs/dbraw/zinc/78/81/63/582788163.db2.gz JVUXYKYECKHMLY-IVZWLZJFSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892084117 582787977 /nfs/dbraw/zinc/78/79/77/582787977.db2.gz JVUXYKYECKHMLY-LPEHRKFASA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892088447 631725255 /nfs/dbraw/zinc/72/52/55/631725255.db2.gz JXMZVRBEMQAPTM-DTWKUNHWSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892089342 631725892 /nfs/dbraw/zinc/72/58/92/631725892.db2.gz ROFXZANMFJYCLF-XHNCKOQMSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892089583 582788720 /nfs/dbraw/zinc/78/87/20/582788720.db2.gz SZGHCLYOAIDQSF-BIIVOSGPSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892089584 582789001 /nfs/dbraw/zinc/78/90/01/582789001.db2.gz SZGHCLYOAIDQSF-FXQIFTODSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892089585 582788934 /nfs/dbraw/zinc/78/89/34/582788934.db2.gz SZGHCLYOAIDQSF-RNJXMRFFSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892089586 582788700 /nfs/dbraw/zinc/78/87/00/582788700.db2.gz SZGHCLYOAIDQSF-XLPZGREQSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892089591 582788812 /nfs/dbraw/zinc/78/88/12/582788812.db2.gz TVEBITGLJCPSND-SILCLGDVSA-N 2 0 226.324 -0.001 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892090486 582788985 /nfs/dbraw/zinc/78/89/85/582788985.db2.gz AFDRBUAJRDDKDP-ATZCPNFKSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892090487 582788728 /nfs/dbraw/zinc/78/87/28/582788728.db2.gz AFDRBUAJRDDKDP-IQJOONFLSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892090488 582789004 /nfs/dbraw/zinc/78/90/04/582789004.db2.gz AFDRBUAJRDDKDP-NGZCFLSTSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892090489 582789108 /nfs/dbraw/zinc/78/91/08/582789108.db2.gz AFDRBUAJRDDKDP-QXEWZRGKSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892091815 582789535 /nfs/dbraw/zinc/78/95/35/582789535.db2.gz HNLZOSYCFPFQJI-NAKRPEOUSA-N 2 0 238.335 -0.260 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892091816 582789439 /nfs/dbraw/zinc/78/94/39/582789439.db2.gz HNLZOSYCFPFQJI-RCWTZXSCSA-N 2 0 238.335 -0.260 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892091817 582789858 /nfs/dbraw/zinc/78/98/58/582789858.db2.gz HNLZOSYCFPFQJI-VPOLOUISSA-N 2 0 238.335 -0.260 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892091818 582789823 /nfs/dbraw/zinc/78/98/23/582789823.db2.gz HNLZOSYCFPFQJI-XWLWVQCSSA-N 2 0 238.335 -0.260 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892091843 582789590 /nfs/dbraw/zinc/78/95/90/582789590.db2.gz HXXICKHRMKKYJZ-JGVFFNPUSA-N 2 0 200.286 -0.534 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892092113 582789941 /nfs/dbraw/zinc/78/99/41/582789941.db2.gz IOYZUNJGTYUKRI-CIUDSAMLSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892092117 582789834 /nfs/dbraw/zinc/78/98/34/582789834.db2.gz IOYZUNJGTYUKRI-DJLDLDEBSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892092119 582789905 /nfs/dbraw/zinc/78/99/05/582789905.db2.gz IOYZUNJGTYUKRI-XHNCKOQMSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892092122 582789716 /nfs/dbraw/zinc/78/97/16/582789716.db2.gz IOYZUNJGTYUKRI-YIZRAAEISA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892092265 582789794 /nfs/dbraw/zinc/78/97/94/582789794.db2.gz JXMZVRBEMQAPTM-IUCAKERBSA-N 2 0 214.313 -0.144 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892093902 582790432 /nfs/dbraw/zinc/79/04/32/582790432.db2.gz RCNZRFOYABVFLI-ATZCPNFKSA-N 2 0 226.324 -0.416 20 0 BBADRP C[C@@H](C[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892094404 582790345 /nfs/dbraw/zinc/79/03/45/582790345.db2.gz SEBMONFMLFIBFD-ZETCQYMHSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC000892095155 582790246 /nfs/dbraw/zinc/79/02/46/582790246.db2.gz DXIWELXQROXMLM-NAKRPEOUSA-N 2 0 238.335 -0.117 20 0 BBADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC000892095158 582790414 /nfs/dbraw/zinc/79/04/14/582790414.db2.gz DXIWELXQROXMLM-RCWTZXSCSA-N 2 0 238.335 -0.117 20 0 BBADRP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC000892095160 582790610 /nfs/dbraw/zinc/79/06/10/582790610.db2.gz DXIWELXQROXMLM-VLEAKVRGSA-N 2 0 238.335 -0.117 20 0 BBADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[NH2+]1 ZINC000892095163 582790323 /nfs/dbraw/zinc/79/03/23/582790323.db2.gz DXIWELXQROXMLM-ZNSHCXBVSA-N 2 0 238.335 -0.117 20 0 BBADRP CCN(C(=O)N[C@@H](C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892095819 582789770 /nfs/dbraw/zinc/78/97/70/582789770.db2.gz YHORGININBKNHA-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP CCN(C(=O)N[C@@H](C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000892095820 582789606 /nfs/dbraw/zinc/78/96/06/582789606.db2.gz YHORGININBKNHA-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892099598 711574737 /nfs/dbraw/zinc/57/47/37/711574737.db2.gz SJUKSRWWRKTUHO-UTLUCORTSA-N 2 0 226.324 -0.260 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)NCCC(C)(C)[NH3+] ZINC000892101367 631729349 /nfs/dbraw/zinc/72/93/49/631729349.db2.gz CWFSEVGGMOFRGN-SSDOTTSWSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@H]([NH3+])CNC(=O)NCCC(C)(C)[NH3+] ZINC000892101368 631729652 /nfs/dbraw/zinc/72/96/52/631729652.db2.gz CWFSEVGGMOFRGN-ZETCQYMHSA-N 2 0 202.302 -0.240 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892101401 631728797 /nfs/dbraw/zinc/72/87/97/631728797.db2.gz DFSZWZUZMSNTQF-ATZCPNFKSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892101402 631729261 /nfs/dbraw/zinc/72/92/61/631729261.db2.gz DFSZWZUZMSNTQF-IQJOONFLSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892101403 631729831 /nfs/dbraw/zinc/72/98/31/631729831.db2.gz DFSZWZUZMSNTQF-NGZCFLSTSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892101404 631730059 /nfs/dbraw/zinc/73/00/59/631730059.db2.gz DFSZWZUZMSNTQF-QXEWZRGKSA-N 2 0 226.324 -0.083 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892101425 631730114 /nfs/dbraw/zinc/73/01/14/631730114.db2.gz DWKCGLFGJRJMKV-ATZCPNFKSA-N 2 0 226.324 -0.416 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892101426 631729631 /nfs/dbraw/zinc/72/96/31/631729631.db2.gz DWKCGLFGJRJMKV-WCABBAIRSA-N 2 0 226.324 -0.416 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892102962 582791596 /nfs/dbraw/zinc/79/15/96/582791596.db2.gz LLFNIIZVQJRKTK-CIUDSAMLSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892102963 582791648 /nfs/dbraw/zinc/79/16/48/582791648.db2.gz LLFNIIZVQJRKTK-DJLDLDEBSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892102965 582791391 /nfs/dbraw/zinc/79/13/91/582791391.db2.gz LLFNIIZVQJRKTK-XHNCKOQMSA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892102966 582791618 /nfs/dbraw/zinc/79/16/18/582791618.db2.gz LLFNIIZVQJRKTK-YIZRAAEISA-N 2 0 214.313 -0.097 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892102981 631729659 /nfs/dbraw/zinc/72/96/59/631729659.db2.gz LQUWXKLQFKXDRC-FKTRJACZSA-N 2 0 226.324 -0.001 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892102983 631729183 /nfs/dbraw/zinc/72/91/83/631729183.db2.gz LQUWXKLQFKXDRC-SILCLGDVSA-N 2 0 226.324 -0.001 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892103683 582791409 /nfs/dbraw/zinc/79/14/09/582791409.db2.gz PBHKGHRXROQMRD-AEJSXWLSSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892103684 582791621 /nfs/dbraw/zinc/79/16/21/582791621.db2.gz PBHKGHRXROQMRD-GUBZILKMSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892103685 582791666 /nfs/dbraw/zinc/79/16/66/582791666.db2.gz PBHKGHRXROQMRD-IVZWLZJFSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892103686 582791568 /nfs/dbraw/zinc/79/15/68/582791568.db2.gz PBHKGHRXROQMRD-LPEHRKFASA-N 2 0 226.324 -0.131 20 0 BBADRP CCN(C(=O)NC[C@@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000892103715 582791704 /nfs/dbraw/zinc/79/17/04/582791704.db2.gz PZVLQIYSUUNZRN-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP CCN(C(=O)NC[C@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892103716 582791658 /nfs/dbraw/zinc/79/16/58/582791658.db2.gz PZVLQIYSUUNZRN-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP CCN(C(=O)NC[C@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000892103717 582791246 /nfs/dbraw/zinc/79/12/46/582791246.db2.gz PZVLQIYSUUNZRN-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP CCN(C(=O)NC[C@@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892103718 582791674 /nfs/dbraw/zinc/79/16/74/582791674.db2.gz PZVLQIYSUUNZRN-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892103874 582791542 /nfs/dbraw/zinc/79/15/42/582791542.db2.gz RTDKINHAUAJAGD-BIIVOSGPSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892103875 582791641 /nfs/dbraw/zinc/79/16/41/582791641.db2.gz RTDKINHAUAJAGD-FXQIFTODSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892103876 582791366 /nfs/dbraw/zinc/79/13/66/582791366.db2.gz RTDKINHAUAJAGD-RNJXMRFFSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892103877 582791375 /nfs/dbraw/zinc/79/13/75/582791375.db2.gz RTDKINHAUAJAGD-XLPZGREQSA-N 2 0 200.286 -0.535 20 0 BBADRP C[C@@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892104105 582792348 /nfs/dbraw/zinc/79/23/48/582792348.db2.gz VTFFSVQSHXIFBU-HLTSFMKQSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892104107 582792648 /nfs/dbraw/zinc/79/26/48/582792648.db2.gz VTFFSVQSHXIFBU-XHNCKOQMSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC/C=C/C[NH3+])C2 ZINC000892120555 631736522 /nfs/dbraw/zinc/73/65/22/631736522.db2.gz BHWLDKFMVPLRCT-JUFRQLOYSA-N 2 0 238.335 -0.248 20 0 BBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC/C=C\C[NH3+])C2 ZINC000892120556 631736120 /nfs/dbraw/zinc/73/61/20/631736120.db2.gz BHWLDKFMVPLRCT-KREMLPNHSA-N 2 0 238.335 -0.248 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC/C=C/C[NH3+] ZINC000892122087 631735851 /nfs/dbraw/zinc/73/58/51/631735851.db2.gz MRQHYFFDFYKHCH-ALCGYSGWSA-N 2 0 212.297 -0.368 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC/C=C\C[NH3+] ZINC000892122088 631736157 /nfs/dbraw/zinc/73/61/57/631736157.db2.gz MRQHYFFDFYKHCH-BNEREYBLSA-N 2 0 212.297 -0.368 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC/C=C\C[NH3+] ZINC000892122089 631735662 /nfs/dbraw/zinc/73/56/62/631735662.db2.gz MRQHYFFDFYKHCH-HVSMVGKISA-N 2 0 212.297 -0.368 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC/C=C/C[NH3+] ZINC000892122090 631735726 /nfs/dbraw/zinc/73/57/26/631735726.db2.gz MRQHYFFDFYKHCH-KHVQUVQLSA-N 2 0 212.297 -0.368 20 0 BBADRP [NH3+]C/C=C\CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892122819 582795738 /nfs/dbraw/zinc/79/57/38/582795738.db2.gz UAJCYEUQFPYOQJ-FXFPHERDSA-N 2 0 210.281 -0.743 20 0 BBADRP [NH3+]C/C=C/CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892122820 582795902 /nfs/dbraw/zinc/79/59/02/582795902.db2.gz UAJCYEUQFPYOQJ-XOINZRLQSA-N 2 0 210.281 -0.743 20 0 BBADRP [NH3+]C/C=C\CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892123008 582795495 /nfs/dbraw/zinc/79/54/95/582795495.db2.gz WPMKNXFOFRZBSW-DBJVDPROSA-N 2 0 224.308 -0.353 20 0 BBADRP [NH3+]C/C=C/CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892123009 582795688 /nfs/dbraw/zinc/79/56/88/582795688.db2.gz WPMKNXFOFRZBSW-LHPPFPPOSA-N 2 0 224.308 -0.353 20 0 BBADRP CC(C)([NH3+])CCNC(=O)NC/C=C\C[NH3+] ZINC000892124178 582795475 /nfs/dbraw/zinc/79/54/75/582795475.db2.gz VLCUZJFVIIBAPP-ARJAWSKDSA-N 2 0 214.313 -0.072 20 0 BBADRP CC(C)([NH3+])CCNC(=O)NC/C=C/C[NH3+] ZINC000892124179 582795691 /nfs/dbraw/zinc/79/56/91/582795691.db2.gz VLCUZJFVIIBAPP-ONEGZZNKSA-N 2 0 214.313 -0.072 20 0 BBADRP CCN(C(=O)NC/C=C/C[NH3+])[C@H]1CC[NH2+]C1 ZINC000892124196 582796071 /nfs/dbraw/zinc/79/60/71/582796071.db2.gz WMDUYCSPUOOTDW-FSIBCCDJSA-N 2 0 226.324 -0.105 20 0 BBADRP CCN(C(=O)NC/C=C/C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892124197 582795597 /nfs/dbraw/zinc/79/55/97/582795597.db2.gz WMDUYCSPUOOTDW-HMDXOVGESA-N 2 0 226.324 -0.105 20 0 BBADRP CCN(C(=O)NC/C=C\C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892124198 582795442 /nfs/dbraw/zinc/79/54/42/582795442.db2.gz WMDUYCSPUOOTDW-UMBAGQNISA-N 2 0 226.324 -0.105 20 0 BBADRP CCN(C(=O)NC/C=C\C[NH3+])[C@H]1CC[NH2+]C1 ZINC000892124199 582795505 /nfs/dbraw/zinc/79/55/05/582795505.db2.gz WMDUYCSPUOOTDW-XOULXFPDSA-N 2 0 226.324 -0.105 20 0 BBADRP [NH3+]C/C=C/CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892124273 582795312 /nfs/dbraw/zinc/79/53/12/582795312.db2.gz ZAPAGSPWLNPOCK-GPYPMJJRSA-N 2 0 212.297 -0.366 20 0 BBADRP [NH3+]C/C=C\CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892124274 582795375 /nfs/dbraw/zinc/79/53/75/582795375.db2.gz ZAPAGSPWLNPOCK-JKERVTFKSA-N 2 0 212.297 -0.366 20 0 BBADRP C[C@@H](CCC[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892139234 582798575 /nfs/dbraw/zinc/79/85/75/582798575.db2.gz LGMQYRFGWFYYPB-GUBZILKMSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@H](CCC[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892139235 582798515 /nfs/dbraw/zinc/79/85/15/582798515.db2.gz LGMQYRFGWFYYPB-UTLUCORTSA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892140708 582799314 /nfs/dbraw/zinc/79/93/14/582799314.db2.gz DUXYRQNWXMEFIX-HXFLIBJXSA-N 2 0 212.297 -0.522 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892140721 582799172 /nfs/dbraw/zinc/79/91/72/582799172.db2.gz DUXYRQNWXMEFIX-JBDRJPRFSA-N 2 0 212.297 -0.522 20 0 BBADRP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H](C)[NH3+] ZINC000892140722 582799559 /nfs/dbraw/zinc/79/95/59/582799559.db2.gz DUXYRQNWXMEFIX-KZVJFYERSA-N 2 0 212.297 -0.522 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892140724 582799012 /nfs/dbraw/zinc/79/90/12/582799012.db2.gz DUXYRQNWXMEFIX-XGEHTFHBSA-N 2 0 212.297 -0.522 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892141648 582799103 /nfs/dbraw/zinc/79/91/03/582799103.db2.gz JZSKDAHJJIHNLM-BGZDPUMWSA-N 2 0 214.313 -0.241 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892141649 582799137 /nfs/dbraw/zinc/79/91/37/582799137.db2.gz JZSKDAHJJIHNLM-BZNPZCIMSA-N 2 0 214.313 -0.241 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892141650 582799028 /nfs/dbraw/zinc/79/90/28/582799028.db2.gz JZSKDAHJJIHNLM-FNCVBFRFSA-N 2 0 214.313 -0.241 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892141651 582799374 /nfs/dbraw/zinc/79/93/74/582799374.db2.gz JZSKDAHJJIHNLM-JBDRJPRFSA-N 2 0 214.313 -0.241 20 0 BBADRP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000892141652 582799332 /nfs/dbraw/zinc/79/93/32/582799332.db2.gz JZSKDAHJJIHNLM-KZVJFYERSA-N 2 0 214.313 -0.241 20 0 BBADRP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000892141653 582799482 /nfs/dbraw/zinc/79/94/82/582799482.db2.gz JZSKDAHJJIHNLM-UYXSQOIJSA-N 2 0 214.313 -0.241 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892141654 582799584 /nfs/dbraw/zinc/79/95/84/582799584.db2.gz JZSKDAHJJIHNLM-XAVMHZPKSA-N 2 0 214.313 -0.241 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892141655 582799444 /nfs/dbraw/zinc/79/94/44/582799444.db2.gz JZSKDAHJJIHNLM-XSPKLOCKSA-N 2 0 214.313 -0.241 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892142113 582799492 /nfs/dbraw/zinc/79/94/92/582799492.db2.gz LIISLIIEBQNNQE-JBDRJPRFSA-N 2 0 214.313 -0.147 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892142114 582799183 /nfs/dbraw/zinc/79/91/83/582799183.db2.gz LIISLIIEBQNNQE-RYPBNFRJSA-N 2 0 214.313 -0.147 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892142115 582799366 /nfs/dbraw/zinc/79/93/66/582799366.db2.gz LIISLIIEBQNNQE-XGEHTFHBSA-N 2 0 214.313 -0.147 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892142116 582799564 /nfs/dbraw/zinc/79/95/64/582799564.db2.gz LIISLIIEBQNNQE-XSPKLOCKSA-N 2 0 214.313 -0.147 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892144113 582800443 /nfs/dbraw/zinc/80/04/43/582800443.db2.gz HVGAIJCEXKHBNF-FYLLDIAZSA-N 2 0 240.351 -0.027 20 0 BBADRP C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H](C)[NH3+] ZINC000892144115 582800606 /nfs/dbraw/zinc/80/06/06/582800606.db2.gz HVGAIJCEXKHBNF-MIZYBKAJSA-N 2 0 240.351 -0.027 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892144116 582800618 /nfs/dbraw/zinc/80/06/18/582800618.db2.gz HVGAIJCEXKHBNF-MWGHHZFTSA-N 2 0 240.351 -0.027 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892144118 582800699 /nfs/dbraw/zinc/80/06/99/582800699.db2.gz HVGAIJCEXKHBNF-QFOLPQNPSA-N 2 0 240.351 -0.027 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892144530 582799889 /nfs/dbraw/zinc/79/98/89/582799889.db2.gz HYCGGOPJMBEURM-CIUDSAMLSA-N 2 0 212.297 -0.521 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892144531 582799788 /nfs/dbraw/zinc/79/97/88/582799788.db2.gz HYCGGOPJMBEURM-VGMNWLOBSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cncn1C ZINC000892145110 582800810 /nfs/dbraw/zinc/80/08/10/582800810.db2.gz KDXPOXRYXJLMFV-HTQZYQBOSA-N 2 0 225.296 -0.045 20 0 BBADRP C[C@@H](NC(=O)NCc1cncn1C)[C@H](C)[NH3+] ZINC000892145111 582800858 /nfs/dbraw/zinc/80/08/58/582800858.db2.gz KDXPOXRYXJLMFV-JGVFFNPUSA-N 2 0 225.296 -0.045 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cncn1C ZINC000892145112 582800501 /nfs/dbraw/zinc/80/05/01/582800501.db2.gz KDXPOXRYXJLMFV-SFYZADRCSA-N 2 0 225.296 -0.045 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cncn1C ZINC000892145113 582800614 /nfs/dbraw/zinc/80/06/14/582800614.db2.gz KDXPOXRYXJLMFV-YUMQZZPRSA-N 2 0 225.296 -0.045 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892145568 582800409 /nfs/dbraw/zinc/80/04/09/582800409.db2.gz ZNOWBYMCKFJUBJ-AATLWQCWSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892145570 582800870 /nfs/dbraw/zinc/80/08/70/582800870.db2.gz ZNOWBYMCKFJUBJ-KYXWUPHJSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000892145571 582800684 /nfs/dbraw/zinc/80/06/84/582800684.db2.gz ZNOWBYMCKFJUBJ-QCLAVDOMSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892145572 582800803 /nfs/dbraw/zinc/80/08/03/582800803.db2.gz ZNOWBYMCKFJUBJ-RGOKHQFPSA-N 2 0 226.324 -0.132 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892145699 582800515 /nfs/dbraw/zinc/80/05/15/582800515.db2.gz IFYINCCODUFEBP-DTWKUNHWSA-N 2 0 214.313 -0.144 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892145700 582800764 /nfs/dbraw/zinc/80/07/64/582800764.db2.gz IFYINCCODUFEBP-RKDXNWHRSA-N 2 0 214.313 -0.144 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892146241 582800352 /nfs/dbraw/zinc/80/03/52/582800352.db2.gz OVWWRNVEJIOQGO-CIUDSAMLSA-N 2 0 214.313 -0.145 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892146242 582800873 /nfs/dbraw/zinc/80/08/73/582800873.db2.gz OVWWRNVEJIOQGO-HRDYMLBCSA-N 2 0 214.313 -0.145 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892146243 582800824 /nfs/dbraw/zinc/80/08/24/582800824.db2.gz OVWWRNVEJIOQGO-VGMNWLOBSA-N 2 0 214.313 -0.145 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892146244 582800314 /nfs/dbraw/zinc/80/03/14/582800314.db2.gz OVWWRNVEJIOQGO-XHNCKOQMSA-N 2 0 214.313 -0.145 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892147446 582801565 /nfs/dbraw/zinc/80/15/65/582801565.db2.gz NSRYXYYIGFBDHN-HOSYDEDBSA-N 2 0 240.351 -0.025 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892147447 582801496 /nfs/dbraw/zinc/80/14/96/582801496.db2.gz NSRYXYYIGFBDHN-JBLDHEPKSA-N 2 0 240.351 -0.025 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892147815 582800601 /nfs/dbraw/zinc/80/06/01/582800601.db2.gz RBFWYYGPJCUKIC-CIUDSAMLSA-N 2 0 214.313 -0.240 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892147816 582800730 /nfs/dbraw/zinc/80/07/30/582800730.db2.gz RBFWYYGPJCUKIC-HLTSFMKQSA-N 2 0 214.313 -0.240 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892147817 582800561 /nfs/dbraw/zinc/80/05/61/582800561.db2.gz RBFWYYGPJCUKIC-IWSPIJDZSA-N 2 0 214.313 -0.240 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892147820 582800868 /nfs/dbraw/zinc/80/08/68/582800868.db2.gz RBFWYYGPJCUKIC-XHNCKOQMSA-N 2 0 214.313 -0.240 20 0 BBADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892147993 582800626 /nfs/dbraw/zinc/80/06/26/582800626.db2.gz ZDVBRTBKBFTZRM-BBBLOLIVSA-N 2 0 226.324 -0.131 20 0 BBADRP CC[C@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892147994 582800657 /nfs/dbraw/zinc/80/06/57/582800657.db2.gz ZDVBRTBKBFTZRM-LPEHRKFASA-N 2 0 226.324 -0.131 20 0 BBADRP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H](C)[NH3+] ZINC000892148000 582800582 /nfs/dbraw/zinc/80/05/82/582800582.db2.gz ZLLUUWBWAXPAEG-DJLDLDEBSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892148001 582800843 /nfs/dbraw/zinc/80/08/43/582800843.db2.gz ZLLUUWBWAXPAEG-HRDYMLBCSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892148002 582800826 /nfs/dbraw/zinc/80/08/26/582800826.db2.gz ZLLUUWBWAXPAEG-IWSPIJDZSA-N 2 0 214.313 -0.145 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892148003 582800781 /nfs/dbraw/zinc/80/07/81/582800781.db2.gz ZLLUUWBWAXPAEG-XHNCKOQMSA-N 2 0 214.313 -0.145 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892171030 631752761 /nfs/dbraw/zinc/75/27/61/631752761.db2.gz VECCRCFVGPFAQR-NAKRPEOUSA-N 2 0 238.335 -0.131 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892171032 631752972 /nfs/dbraw/zinc/75/29/72/631752972.db2.gz VECCRCFVGPFAQR-RCWTZXSCSA-N 2 0 238.335 -0.131 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892171033 631752360 /nfs/dbraw/zinc/75/23/60/631752360.db2.gz VECCRCFVGPFAQR-VLEAKVRGSA-N 2 0 238.335 -0.131 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892171035 631753051 /nfs/dbraw/zinc/75/30/51/631753051.db2.gz VECCRCFVGPFAQR-ZNSHCXBVSA-N 2 0 238.335 -0.131 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892181466 582806194 /nfs/dbraw/zinc/80/61/94/582806194.db2.gz SXFXPWNBVZZHAN-BBBLOLIVSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892181467 582806039 /nfs/dbraw/zinc/80/60/39/582806039.db2.gz SXFXPWNBVZZHAN-KXUCPTDWSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892181468 582805899 /nfs/dbraw/zinc/80/58/99/582805899.db2.gz SXFXPWNBVZZHAN-OPRDCNLKSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892181469 582806123 /nfs/dbraw/zinc/80/61/23/582806123.db2.gz SXFXPWNBVZZHAN-UTLUCORTSA-N 2 0 242.323 -0.894 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892188689 631765018 /nfs/dbraw/zinc/76/50/18/631765018.db2.gz JLIZUAQTNFOJJQ-NXEZZACHSA-N 2 0 242.323 -0.893 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892188690 631764937 /nfs/dbraw/zinc/76/49/37/631764937.db2.gz JLIZUAQTNFOJJQ-ZJUUUORDSA-N 2 0 242.323 -0.893 20 0 BBADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892189224 582806832 /nfs/dbraw/zinc/80/68/32/582806832.db2.gz LPMGWPDZXXUIEU-SECBINFHSA-N 2 0 244.339 -0.599 20 0 BBADRP CC(C)([NH3+])CCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892189231 582806847 /nfs/dbraw/zinc/80/68/47/582806847.db2.gz LPMGWPDZXXUIEU-VIFPVBQESA-N 2 0 244.339 -0.599 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892199914 631780040 /nfs/dbraw/zinc/78/00/40/631780040.db2.gz NUTVBCBOQFWDQV-IMSYWVGJSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892199915 631779517 /nfs/dbraw/zinc/77/95/17/631779517.db2.gz NUTVBCBOQFWDQV-JXUBOQSCSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892199916 631779252 /nfs/dbraw/zinc/77/92/52/631779252.db2.gz NUTVBCBOQFWDQV-KATARQTJSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892199917 582807465 /nfs/dbraw/zinc/80/74/65/582807465.db2.gz NUTVBCBOQFWDQV-XKNYDFJKSA-N 2 0 226.324 -0.132 20 0 BBADRP [NH3+]CC1(CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000892221522 582809031 /nfs/dbraw/zinc/80/90/31/582809031.db2.gz YZLUEOZZVJQSND-UWVGGRQHSA-N 2 0 238.335 -0.129 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000892243140 582812775 /nfs/dbraw/zinc/81/27/75/582812775.db2.gz FNERRLFNZPRKGM-CIUDSAMLSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000892243495 582812925 /nfs/dbraw/zinc/81/29/25/582812925.db2.gz FNERRLFNZPRKGM-YIZRAAEISA-N 2 0 212.297 -0.521 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892243532 582812037 /nfs/dbraw/zinc/81/20/37/582812037.db2.gz JNZHCHVRHHFQGF-HOSYDEDBSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892243534 582812263 /nfs/dbraw/zinc/81/22/63/582812263.db2.gz JNZHCHVRHHFQGF-JBLDHEPKSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892243535 582812228 /nfs/dbraw/zinc/81/22/28/582812228.db2.gz JNZHCHVRHHFQGF-NHCYSSNCSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892243537 582812072 /nfs/dbraw/zinc/81/20/72/582812072.db2.gz JNZHCHVRHHFQGF-UMNHJUIQSA-N 2 0 238.335 -0.068 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892244829 631811581 /nfs/dbraw/zinc/81/15/81/631811581.db2.gz WTCQINSVXVZGDB-AXFHLTTASA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892244830 631811676 /nfs/dbraw/zinc/81/16/76/631811676.db2.gz WTCQINSVXVZGDB-DCAQKATOSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892244831 631810808 /nfs/dbraw/zinc/81/08/08/631810808.db2.gz WTCQINSVXVZGDB-GARJFASQSA-N 2 0 238.335 -0.116 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892244832 631810368 /nfs/dbraw/zinc/81/03/68/631810368.db2.gz WTCQINSVXVZGDB-HBNTYKKESA-N 2 0 238.335 -0.116 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000892261654 582816643 /nfs/dbraw/zinc/81/66/43/582816643.db2.gz OUAWMRPTGLQGSV-GHURTHSSSA-N 2 0 238.335 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000892261655 582816536 /nfs/dbraw/zinc/81/65/36/582816536.db2.gz OUAWMRPTGLQGSV-IYQXKOHFSA-N 2 0 238.335 -0.225 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000892262349 582817374 /nfs/dbraw/zinc/81/73/74/582817374.db2.gz SGTHCVDOHNTBNE-DKZWSVDFSA-N 2 0 238.335 -0.131 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000892262350 582817259 /nfs/dbraw/zinc/81/72/59/582817259.db2.gz SGTHCVDOHNTBNE-GWFPEYJASA-N 2 0 238.335 -0.131 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000892262351 582817231 /nfs/dbraw/zinc/81/72/31/582817231.db2.gz SGTHCVDOHNTBNE-HUXNSBQSSA-N 2 0 238.335 -0.131 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000892262352 582817220 /nfs/dbraw/zinc/81/72/20/582817220.db2.gz SGTHCVDOHNTBNE-ZSWLNHAKSA-N 2 0 238.335 -0.131 20 0 BBADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892262791 582817230 /nfs/dbraw/zinc/81/72/30/582817230.db2.gz XKOYJZOICVOBFX-QLWZBITOSA-N 2 0 236.319 -0.506 20 0 BBADRP C[NH2+]CCOCCNC(=O)NCCC(C)(C)[NH3+] ZINC000892279750 582826253 /nfs/dbraw/zinc/82/62/53/582826253.db2.gz BGKIYZCXTMNIJR-UHFFFAOYSA-N 2 0 246.355 -0.351 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892281196 582826214 /nfs/dbraw/zinc/82/62/14/582826214.db2.gz RBSUANXDNDKYRG-XWLWVQCSSA-N 2 0 238.335 -0.117 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892284059 582827075 /nfs/dbraw/zinc/82/70/75/582827075.db2.gz VQJINKWRDVAHHR-NXEZZACHSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892284060 582827115 /nfs/dbraw/zinc/82/71/15/582827115.db2.gz VQJINKWRDVAHHR-UWVGGRQHSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892284061 582827352 /nfs/dbraw/zinc/82/73/52/582827352.db2.gz VQJINKWRDVAHHR-VHSXEESVSA-N 2 0 244.339 -0.647 20 0 BBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892284062 582827460 /nfs/dbraw/zinc/82/74/60/582827460.db2.gz VQJINKWRDVAHHR-ZJUUUORDSA-N 2 0 244.339 -0.647 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000892290730 631976511 /nfs/dbraw/zinc/97/65/11/631976511.db2.gz SDFQGUDSKXDCQI-BBBLOLIVSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892290731 631976119 /nfs/dbraw/zinc/97/61/19/631976119.db2.gz SDFQGUDSKXDCQI-KXUCPTDWSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892290732 631976379 /nfs/dbraw/zinc/97/63/79/631976379.db2.gz SDFQGUDSKXDCQI-OPRDCNLKSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000892290733 631976748 /nfs/dbraw/zinc/97/67/48/631976748.db2.gz SDFQGUDSKXDCQI-UTLUCORTSA-N 2 0 242.323 -0.894 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCOCCC[NH3+] ZINC000892291021 631977433 /nfs/dbraw/zinc/97/74/33/631977433.db2.gz KPHOEZVAQZOSPY-NXEZZACHSA-N 2 0 244.339 -0.517 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCOCCC[NH3+] ZINC000892291033 631977757 /nfs/dbraw/zinc/97/77/57/631977757.db2.gz KPHOEZVAQZOSPY-UWVGGRQHSA-N 2 0 244.339 -0.517 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCOCCC[NH3+] ZINC000892291038 631977496 /nfs/dbraw/zinc/97/74/96/631977496.db2.gz KPHOEZVAQZOSPY-VHSXEESVSA-N 2 0 244.339 -0.517 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCOCCC[NH3+] ZINC000892291042 631977513 /nfs/dbraw/zinc/97/75/13/631977513.db2.gz KPHOEZVAQZOSPY-ZJUUUORDSA-N 2 0 244.339 -0.517 20 0 BBADRP CC(C)([NH3+])CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892291724 631977363 /nfs/dbraw/zinc/97/73/63/631977363.db2.gz ZVBDASYCGPNMCQ-SECBINFHSA-N 2 0 244.339 -0.599 20 0 BBADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000892291726 631977661 /nfs/dbraw/zinc/97/76/61/631977661.db2.gz ZVBDASYCGPNMCQ-VIFPVBQESA-N 2 0 244.339 -0.599 20 0 BBADRP [NH3+]CCCOCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892291731 631977620 /nfs/dbraw/zinc/97/76/20/631977620.db2.gz NHJQAKPIENADAJ-UWVGGRQHSA-N 2 0 242.323 -0.893 20 0 BBADRP C[C@H]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[NH2+]1 ZINC000892294038 582829390 /nfs/dbraw/zinc/82/93/90/582829390.db2.gz WLSNNZAPQYPKKP-NAKRPEOUSA-N 2 0 238.335 -0.117 20 0 BBADRP C[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[NH2+]1 ZINC000892294039 582829166 /nfs/dbraw/zinc/82/91/66/582829166.db2.gz WLSNNZAPQYPKKP-RCWTZXSCSA-N 2 0 238.335 -0.117 20 0 BBADRP C[C@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[NH2+]1 ZINC000892294040 582829409 /nfs/dbraw/zinc/82/94/09/582829409.db2.gz WLSNNZAPQYPKKP-VLEAKVRGSA-N 2 0 238.335 -0.117 20 0 BBADRP C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[NH2+]1 ZINC000892294041 582829174 /nfs/dbraw/zinc/82/91/74/582829174.db2.gz WLSNNZAPQYPKKP-ZNSHCXBVSA-N 2 0 238.335 -0.117 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892306431 582833600 /nfs/dbraw/zinc/83/36/00/582833600.db2.gz ZAMJUKZHEXVFRO-AATLWQCWSA-N 2 0 226.324 -0.227 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892306433 582834115 /nfs/dbraw/zinc/83/41/15/582834115.db2.gz ZAMJUKZHEXVFRO-AXTSPUMRSA-N 2 0 226.324 -0.227 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306722 582834097 /nfs/dbraw/zinc/83/40/97/582834097.db2.gz BORGZCYSVNBSOJ-AATLWQCWSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306723 582833822 /nfs/dbraw/zinc/83/38/22/582833822.db2.gz BORGZCYSVNBSOJ-AXTSPUMRSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306724 582833704 /nfs/dbraw/zinc/83/37/04/582833704.db2.gz BORGZCYSVNBSOJ-UTINFBMNSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306725 582833633 /nfs/dbraw/zinc/83/36/33/582833633.db2.gz BORGZCYSVNBSOJ-XFWSIPNHSA-N 2 0 226.324 -0.132 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892307211 582834657 /nfs/dbraw/zinc/83/46/57/582834657.db2.gz UNOXNAPSYLICBE-UKKRHICBSA-N 2 0 238.335 -0.117 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892307256 582834470 /nfs/dbraw/zinc/83/44/70/582834470.db2.gz XCWRJQAGLIZCJL-AATLWQCWSA-N 2 0 224.308 -0.508 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000892308895 582835371 /nfs/dbraw/zinc/83/53/71/582835371.db2.gz FNERRLFNZPRKGM-DJLDLDEBSA-N 2 0 212.297 -0.521 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000892308896 582834974 /nfs/dbraw/zinc/83/49/74/582834974.db2.gz FNERRLFNZPRKGM-XHNCKOQMSA-N 2 0 212.297 -0.521 20 0 BBADRP CN(CC[NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892455688 582891051 /nfs/dbraw/zinc/89/10/51/582891051.db2.gz KUTYEKLZVXTMRP-UHFFFAOYSA-N 2 0 226.324 -0.047 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892544374 632946603 /nfs/dbraw/zinc/94/66/03/632946603.db2.gz JSZOQJLYSDYUAV-KXUCPTDWSA-N 2 0 226.324 -0.144 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892546507 582909781 /nfs/dbraw/zinc/90/97/81/582909781.db2.gz GIJMUYXKNJPUDG-DTIDVZRVSA-N 2 0 238.335 -0.131 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892546852 582909937 /nfs/dbraw/zinc/90/99/37/582909937.db2.gz LVDUEJPMKWEOAE-JXUBOQSCSA-N 2 0 224.308 -0.521 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892547437 582909954 /nfs/dbraw/zinc/90/99/54/582909954.db2.gz XMEZQURQFPHCDW-AXTSPUMRSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892547438 582909968 /nfs/dbraw/zinc/90/99/68/582909968.db2.gz XMEZQURQFPHCDW-DOLQZWNJSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892547439 582910028 /nfs/dbraw/zinc/91/00/28/582910028.db2.gz XMEZQURQFPHCDW-IMSYWVGJSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892547440 582909928 /nfs/dbraw/zinc/90/99/28/582909928.db2.gz XMEZQURQFPHCDW-QEYWKRMJSA-N 2 0 226.324 -0.145 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892547968 632955342 /nfs/dbraw/zinc/95/53/42/632955342.db2.gz HDPPXATUWFZCJN-DTORHVGOSA-N 2 0 214.313 -0.286 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548019 632957787 /nfs/dbraw/zinc/95/77/87/632957787.db2.gz JCWQPNPMGOJHGM-IYQXKOHFSA-N 2 0 238.335 -0.144 20 0 BBADRP C[C@]1(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000892548038 632958093 /nfs/dbraw/zinc/95/80/93/632958093.db2.gz JSLSUTPELFUNSA-NGZCFLSTSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@@]1(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000892548039 632956194 /nfs/dbraw/zinc/95/61/94/632956194.db2.gz JSLSUTPELFUNSA-WCABBAIRSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000892548043 632956559 /nfs/dbraw/zinc/95/65/59/632956559.db2.gz JUFWTSVVPBXFDT-UTINFBMNSA-N 2 0 244.314 -0.196 20 0 BBADRP CC(C)(C[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548239 582910522 /nfs/dbraw/zinc/91/05/22/582910522.db2.gz BGFPNMADIJOMKV-OCAPTIKFSA-N 2 0 214.313 -0.240 20 0 BBADRP CN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000892548249 582910562 /nfs/dbraw/zinc/91/05/62/582910562.db2.gz BSISPBOZLMSCHN-BQKDNTBBSA-N 2 0 226.324 -0.145 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000892548260 582910460 /nfs/dbraw/zinc/91/04/60/582910460.db2.gz BXKJFYRMMADWFG-BBBLOLIVSA-N 2 0 226.324 -0.144 20 0 BBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000892548262 582910267 /nfs/dbraw/zinc/91/02/67/582910267.db2.gz BXXNOOAUODMJTN-BBBLOLIVSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000892548263 582910583 /nfs/dbraw/zinc/91/05/83/582910583.db2.gz BXXNOOAUODMJTN-LPEHRKFASA-N 2 0 226.324 -0.273 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[NH2+]CC2)C1 ZINC000892548385 582910252 /nfs/dbraw/zinc/91/02/52/582910252.db2.gz DXCYOHBCVXDXAC-AOOOYVTPSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000892548422 582910574 /nfs/dbraw/zinc/91/05/74/582910574.db2.gz FUFCQVSMERHSER-ZNSHCXBVSA-N 2 0 238.335 -0.273 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[NH2+]CC2)C1 ZINC000892549125 632958712 /nfs/dbraw/zinc/95/87/12/632958712.db2.gz OFNLGKHXKAJWLR-DTORHVGOSA-N 2 0 212.297 -0.662 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892549160 632958766 /nfs/dbraw/zinc/95/87/66/632958766.db2.gz OVHGOQMCHQVURV-QEYWKRMJSA-N 2 0 226.324 -0.145 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000892549191 632957024 /nfs/dbraw/zinc/95/70/24/632957024.db2.gz PQISTDAIVKERPM-FDNPJPRYSA-N 2 0 238.335 -0.416 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892559450 582914414 /nfs/dbraw/zinc/91/44/14/582914414.db2.gz KRFBHTWILISSIA-DTORHVGOSA-N 2 0 214.313 -0.416 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892564740 632979280 /nfs/dbraw/zinc/97/92/80/632979280.db2.gz JSZOQJLYSDYUAV-OPRDCNLKSA-N 2 0 226.324 -0.144 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892564971 632976193 /nfs/dbraw/zinc/97/61/93/632976193.db2.gz GIJMUYXKNJPUDG-TVWIJHCHSA-N 2 0 238.335 -0.131 20 0 BBADRP CC(C)(C[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565172 632981056 /nfs/dbraw/zinc/98/10/56/632981056.db2.gz BGFPNMADIJOMKV-ZKCHVHJHSA-N 2 0 214.313 -0.240 20 0 BBADRP CN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000892565191 632980458 /nfs/dbraw/zinc/98/04/58/632980458.db2.gz BSISPBOZLMSCHN-FIORISEFSA-N 2 0 226.324 -0.145 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000892565205 632981532 /nfs/dbraw/zinc/98/15/32/632981532.db2.gz BXKJFYRMMADWFG-OPRDCNLKSA-N 2 0 226.324 -0.144 20 0 BBADRP C[C@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000892565206 632981037 /nfs/dbraw/zinc/98/10/37/632981037.db2.gz BXXNOOAUODMJTN-GUBZILKMSA-N 2 0 226.324 -0.273 20 0 BBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000892565208 632981107 /nfs/dbraw/zinc/98/11/07/632981107.db2.gz BXXNOOAUODMJTN-OPRDCNLKSA-N 2 0 226.324 -0.273 20 0 BBADRP CCN(CC[NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565299 632974867 /nfs/dbraw/zinc/97/48/67/632974867.db2.gz HDPPXATUWFZCJN-KYZUINATSA-N 2 0 214.313 -0.286 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CCC[NH2+]CC2)C1 ZINC000892565491 582915240 /nfs/dbraw/zinc/91/52/40/582915240.db2.gz DXCYOHBCVXDXAC-MGCOHNPYSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000892565542 582915842 /nfs/dbraw/zinc/91/58/42/582915842.db2.gz FUFCQVSMERHSER-DBIOUOCHSA-N 2 0 238.335 -0.273 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892565828 632978809 /nfs/dbraw/zinc/97/88/09/632978809.db2.gz LVDUEJPMKWEOAE-XKNYDFJKSA-N 2 0 224.308 -0.521 20 0 BBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566121 632978496 /nfs/dbraw/zinc/97/84/96/632978496.db2.gz JCWQPNPMGOJHGM-GHURTHSSSA-N 2 0 238.335 -0.144 20 0 BBADRP C[C@@]1(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000892566525 632976962 /nfs/dbraw/zinc/97/69/62/632976962.db2.gz JSLSUTPELFUNSA-FXPVBKGRSA-N 2 0 226.324 -0.225 20 0 BBADRP C[C@]1(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000892566527 632979171 /nfs/dbraw/zinc/97/91/71/632979171.db2.gz JSLSUTPELFUNSA-QXEWZRGKSA-N 2 0 226.324 -0.225 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000892566547 632978421 /nfs/dbraw/zinc/97/84/21/632978421.db2.gz JUFWTSVVPBXFDT-ZYUZMQFOSA-N 2 0 244.314 -0.196 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567035 582915763 /nfs/dbraw/zinc/91/57/63/582915763.db2.gz XMEZQURQFPHCDW-AATLWQCWSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567036 582915815 /nfs/dbraw/zinc/91/58/15/582915815.db2.gz XMEZQURQFPHCDW-KYXWUPHJSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567037 582915462 /nfs/dbraw/zinc/91/54/62/582915462.db2.gz XMEZQURQFPHCDW-XKNYDFJKSA-N 2 0 226.324 -0.145 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567038 582915222 /nfs/dbraw/zinc/91/52/22/582915222.db2.gz XMEZQURQFPHCDW-ZYUZMQFOSA-N 2 0 226.324 -0.145 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[NH2+]CC2)C1 ZINC000892567925 582916492 /nfs/dbraw/zinc/91/64/92/582916492.db2.gz OFNLGKHXKAJWLR-KYZUINATSA-N 2 0 212.297 -0.662 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567948 582916600 /nfs/dbraw/zinc/91/66/00/582916600.db2.gz OVHGOQMCHQVURV-XKNYDFJKSA-N 2 0 226.324 -0.145 20 0 BBADRP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000892568089 582916452 /nfs/dbraw/zinc/91/64/52/582916452.db2.gz PQISTDAIVKERPM-SGXNHWHWSA-N 2 0 238.335 -0.416 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892573519 582918241 /nfs/dbraw/zinc/91/82/41/582918241.db2.gz KRFBHTWILISSIA-KYZUINATSA-N 2 0 214.313 -0.416 20 0 BBADRP CC(C)([NH3+])CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892845513 582995645 /nfs/dbraw/zinc/99/56/45/582995645.db2.gz GHGXPEBXEUKJRN-IUCAKERBSA-N 2 0 226.324 -0.131 20 0 BBADRP CC(C)([NH3+])CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000892850034 582996016 /nfs/dbraw/zinc/99/60/16/582996016.db2.gz HRVXHINLBBEFSO-AOOOYVTPSA-N 2 0 240.351 -0.025 20 0 BBADRP CC(C)([NH3+])CCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000892850043 582996439 /nfs/dbraw/zinc/99/64/39/582996439.db2.gz IBWRHLSQRCOEFF-SECBINFHSA-N 2 0 244.339 -0.517 20 0 BBADRP CC(C)([NH3+])CCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000892850044 582995878 /nfs/dbraw/zinc/99/58/78/582995878.db2.gz IBWRHLSQRCOEFF-VIFPVBQESA-N 2 0 244.339 -0.517 20 0 BBADRP C[NH2+]CCN(C)C(=O)NCCC(C)(C)[NH3+] ZINC000892850711 582996105 /nfs/dbraw/zinc/99/61/05/582996105.db2.gz LEHLSYPTPIXKSF-UHFFFAOYSA-N 2 0 216.329 -0.025 20 0 BBADRP CC(C)([NH3+])CCNC(=O)N1CC[NH2+]CC1 ZINC000892850897 582996321 /nfs/dbraw/zinc/99/63/21/582996321.db2.gz OGUZALISHCVLOE-UHFFFAOYSA-N 2 0 214.313 -0.271 20 0 BBADRP CC(C)([NH3+])CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000892850963 582996154 /nfs/dbraw/zinc/99/61/54/582996154.db2.gz PWVHREMAGZOYRA-MRVPVSSYSA-N 2 0 214.313 -0.144 20 0 BBADRP CC(C)([NH3+])CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000892850964 582996102 /nfs/dbraw/zinc/99/61/02/582996102.db2.gz PWVHREMAGZOYRA-QMMMGPOBSA-N 2 0 214.313 -0.144 20 0 BBADRP C[NH+](C)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000892853772 582995399 /nfs/dbraw/zinc/99/53/99/582995399.db2.gz NIOYIYBJNJEIBZ-UHFFFAOYSA-N 2 0 216.329 -0.025 20 0 BBADRP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]cc1CO ZINC000892956003 583020290 /nfs/dbraw/zinc/02/02/90/583020290.db2.gz RCQVGEYWEUYFII-GFCCVEGCSA-N 2 0 239.319 -0.280 20 0 BBADRP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]cc1CO ZINC000892956004 583020425 /nfs/dbraw/zinc/02/04/25/583020425.db2.gz RCQVGEYWEUYFII-LBPRGKRZSA-N 2 0 239.319 -0.280 20 0 BBADRP CC(=O)OC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000893038118 583034873 /nfs/dbraw/zinc/03/48/73/583034873.db2.gz NLDZSVJXXNNPLF-JTQLQIEISA-N 2 0 244.335 -0.016 20 0 BBADRP CC(=O)OC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000893038119 583034784 /nfs/dbraw/zinc/03/47/84/583034784.db2.gz NLDZSVJXXNNPLF-SNVBAGLBSA-N 2 0 244.335 -0.016 20 0 BBADRP C[NH+]1CCC(C[NH2+]C2(C(N)=O)CC2)CC1 ZINC000893552216 635149107 /nfs/dbraw/zinc/14/91/07/635149107.db2.gz APBLVEBWHJKTHY-UHFFFAOYSA-N 2 0 211.309 -0.064 20 0 BBADRP C[N@H+]1C[C@H]2[C@@H](CCN2c2nc(N)[nH+]c(N)n2)C1 ZINC000893937346 583253641 /nfs/dbraw/zinc/25/36/41/583253641.db2.gz ZZWWMRABLCJMKV-BQBZGAKWSA-N 2 0 235.295 -0.824 20 0 BBADRP C[N@@H+]1C[C@@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@@H]2C1 ZINC000893937347 583253998 /nfs/dbraw/zinc/25/39/98/583253998.db2.gz ZZWWMRABLCJMKV-NKWVEPMBSA-N 2 0 235.295 -0.824 20 0 BBADRP C[N@@H+]1C[C@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@@H]2C1 ZINC000893937348 583253313 /nfs/dbraw/zinc/25/33/13/583253313.db2.gz ZZWWMRABLCJMKV-RNFRBKRXSA-N 2 0 235.295 -0.824 20 0 BBADRP C[N@@H+]1C[C@H]2CCN(c3nc(N)[nH+]c(N)n3)[C@H]2C1 ZINC000893937349 583253627 /nfs/dbraw/zinc/25/36/27/583253627.db2.gz ZZWWMRABLCJMKV-RQJHMYQMSA-N 2 0 235.295 -0.824 20 0 BBADRP OCc1c[nH+]ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000894349267 583432713 /nfs/dbraw/zinc/43/27/13/583432713.db2.gz JSNRMGAFEIDRCQ-GFCCVEGCSA-N 2 0 249.314 -0.171 20 0 BBADRP OCc1c[nH+]ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000894782656 583521530 /nfs/dbraw/zinc/52/15/30/583521530.db2.gz WPCDTRKYBZYIIN-LLVKDONJSA-N 2 0 237.303 -0.526 20 0 BBADRP OCc1c[nH+]ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000894833644 583528154 /nfs/dbraw/zinc/52/81/54/583528154.db2.gz WPCDTRKYBZYIIN-NSHDSACASA-N 2 0 237.303 -0.526 20 0 BBADRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1nc(N)[nH+]c(N)n1 ZINC000895191264 711779875 /nfs/dbraw/zinc/77/98/75/711779875.db2.gz MFBOEBRIJVKVRD-JGVFFNPUSA-N 2 0 249.322 -0.291 20 0 BBADRP C[N@H+](CCO)CCNc1cc[nH+]cc1CO ZINC000895240261 583631075 /nfs/dbraw/zinc/63/10/75/583631075.db2.gz GPHONPQQDIRHML-UHFFFAOYSA-N 2 0 225.292 -0.668 20 0 BBADRP C[NH+](C)CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895469094 636146900 /nfs/dbraw/zinc/14/69/00/636146900.db2.gz CRUXXVOLZQSRQD-LLVKDONJSA-N 2 0 241.335 -0.615 20 0 BBADRP C[NH+](C)CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895469095 636147306 /nfs/dbraw/zinc/14/73/06/636147306.db2.gz CRUXXVOLZQSRQD-NSHDSACASA-N 2 0 241.335 -0.615 20 0 BBADRP C[NH+]1CCC(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000895491761 583681044 /nfs/dbraw/zinc/68/10/44/583681044.db2.gz LYDFFHBMQFXLSW-MNOVXSKESA-N 2 0 241.335 -0.751 20 0 BBADRP C[NH+]1CCC(C[NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000895636285 583699902 /nfs/dbraw/zinc/69/99/02/583699902.db2.gz GBEXGLPTVYDKCX-CYBMUJFWSA-N 2 0 241.379 -0.016 20 0 BBADRP C[NH+]1CCC(C[NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000895673099 583707041 /nfs/dbraw/zinc/70/70/41/583707041.db2.gz GBEXGLPTVYDKCX-ZDUSSCGKSA-N 2 0 241.379 -0.016 20 0 BBADRP C[N@@H+]1CC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000895771230 583725491 /nfs/dbraw/zinc/72/54/91/583725491.db2.gz VWYSDPGLFZZEDV-MRVPVSSYSA-N 2 0 220.276 -0.282 20 0 BBADRP C[N@@H+]1CC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000895771231 583724822 /nfs/dbraw/zinc/72/48/22/583724822.db2.gz VWYSDPGLFZZEDV-QMMMGPOBSA-N 2 0 220.276 -0.282 20 0 BBADRP C[NH+]1C[C@@H]2CN(c3nc(N)[nH+]c(N)n3)C[C@]2(C)C1 ZINC000896912304 583853593 /nfs/dbraw/zinc/85/35/93/583853593.db2.gz RVJMDFXFCXTXBI-HQJQHLMTSA-N 2 0 249.322 -0.576 20 0 BBADRP C[C@@H](NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000899269919 584193544 /nfs/dbraw/zinc/19/35/44/584193544.db2.gz FRDMIAQPEWWNLD-BXKDBHETSA-N 2 0 240.351 -0.035 20 0 BBADRP C[C@H](NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000899269922 584193510 /nfs/dbraw/zinc/19/35/10/584193510.db2.gz FRDMIAQPEWWNLD-CABZTGNLSA-N 2 0 240.351 -0.035 20 0 BBADRP C[C@H](NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000899269923 584193797 /nfs/dbraw/zinc/19/37/97/584193797.db2.gz FRDMIAQPEWWNLD-JOYOIKCWSA-N 2 0 240.351 -0.035 20 0 BBADRP C[C@@H](NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000899269925 584193645 /nfs/dbraw/zinc/19/36/45/584193645.db2.gz FRDMIAQPEWWNLD-SKDRFNHKSA-N 2 0 240.351 -0.035 20 0 BBADRP C(=C1C[NH2+]C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC000899328042 584197918 /nfs/dbraw/zinc/19/79/18/584197918.db2.gz MFDMGBRYMGQSGM-UHFFFAOYSA-N 2 0 231.303 -0.127 20 0 BBADRP [NH3+]Cc1nnnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899632417 584222168 /nfs/dbraw/zinc/22/21/68/584222168.db2.gz COCOQNXLPLRJJV-MRVPVSSYSA-N 2 0 210.285 -0.479 20 0 BBADRP [NH3+]Cc1nnnn1C[C@H]1CCCC[NH2+]C1 ZINC000899632423 584222129 /nfs/dbraw/zinc/22/21/29/584222129.db2.gz COCOQNXLPLRJJV-QMMMGPOBSA-N 2 0 210.285 -0.479 20 0 BBADRP C[N@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000899732041 584234843 /nfs/dbraw/zinc/23/48/43/584234843.db2.gz CWDSEBDMQRTWCF-JTQLQIEISA-N 2 0 229.324 -0.879 20 0 BBADRP C[N@H+](CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000899732042 584235151 /nfs/dbraw/zinc/23/51/51/584235151.db2.gz CWDSEBDMQRTWCF-SNVBAGLBSA-N 2 0 229.324 -0.879 20 0 BBADRP CC[NH+](CC)CC(=O)NCC[N@H+](C)CCO ZINC000899732071 584229840 /nfs/dbraw/zinc/22/98/40/584229840.db2.gz UKLRXQLFZSERFN-UHFFFAOYSA-N 2 0 231.340 -0.632 20 0 BBADRP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCO ZINC000899732251 584234350 /nfs/dbraw/zinc/23/43/50/584234350.db2.gz FITCFRYLMCRPCT-UHFFFAOYSA-N 2 0 231.340 -0.633 20 0 BBADRP C[NH+](C)CCCCC(=O)NCC[N@H+](C)CCO ZINC000899732290 584234812 /nfs/dbraw/zinc/23/48/12/584234812.db2.gz GQQMSAPJJJLJAM-UHFFFAOYSA-N 2 0 245.367 -0.241 20 0 BBADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)CCO ZINC000899733259 584235005 /nfs/dbraw/zinc/23/50/05/584235005.db2.gz AACDIXBDTRRMRI-UHFFFAOYSA-N 2 0 231.340 -0.632 20 0 BBADRP C[N@H+](CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000899733478 584235112 /nfs/dbraw/zinc/23/51/12/584235112.db2.gz CREKMXUCCLAQDX-LLVKDONJSA-N 2 0 243.351 -0.489 20 0 BBADRP C[N@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000899733479 584235200 /nfs/dbraw/zinc/23/52/00/584235200.db2.gz CREKMXUCCLAQDX-NSHDSACASA-N 2 0 243.351 -0.489 20 0 BBADRP CC(C)[C@H](C(=O)NCC[N@H+](C)CCO)[NH+](C)C ZINC000899734038 584235768 /nfs/dbraw/zinc/23/57/68/584235768.db2.gz RUKURIAWBYFUTE-LLVKDONJSA-N 2 0 245.367 -0.387 20 0 BBADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCO)[NH+](C)C ZINC000899734039 584235475 /nfs/dbraw/zinc/23/54/75/584235475.db2.gz RUKURIAWBYFUTE-NSHDSACASA-N 2 0 245.367 -0.387 20 0 BBADRP CC[C@@H](C(=O)NCC[N@H+](C)CCO)[NH+](C)C ZINC000899735099 584231789 /nfs/dbraw/zinc/23/17/89/584231789.db2.gz WWBCTARUOCFVTQ-JTQLQIEISA-N 2 0 231.340 -0.633 20 0 BBADRP CC[C@H](C(=O)NCC[N@H+](C)CCO)[NH+](C)C ZINC000899735100 584231772 /nfs/dbraw/zinc/23/17/72/584231772.db2.gz WWBCTARUOCFVTQ-SNVBAGLBSA-N 2 0 231.340 -0.633 20 0 BBADRP CC[N@H+](CC(=O)NCC[NH+](C)CCO)C1CC1 ZINC000899736686 584231649 /nfs/dbraw/zinc/23/16/49/584231649.db2.gz PFGUSLQZANKDNI-UHFFFAOYSA-N 2 0 243.351 -0.489 20 0 BBADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCO)CC[N@@H+]1C ZINC000899737463 584233058 /nfs/dbraw/zinc/23/30/58/584233058.db2.gz IEZZKOHKOMAGLQ-GHMZBOCLSA-N 2 0 243.351 -0.633 20 0 BBADRP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CCO)CC1 ZINC000899737705 584233207 /nfs/dbraw/zinc/23/32/07/584233207.db2.gz MZLLQBSXGIMSOR-UHFFFAOYSA-N 2 0 243.351 -0.632 20 0 BBADRP C[NH+](C)C1(C(=O)NCC[N@H+](C)CCO)CC1 ZINC000899739417 584233606 /nfs/dbraw/zinc/23/36/06/584233606.db2.gz XZDPLEPQWGTUPB-UHFFFAOYSA-N 2 0 229.324 -0.879 20 0 BBADRP C[NH+](CC(=O)NCC[N@H+](C)CCO)C1CCC1 ZINC000899740539 584233512 /nfs/dbraw/zinc/23/35/12/584233512.db2.gz LUONZWAIXMKGSL-UHFFFAOYSA-N 2 0 243.351 -0.489 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000899919579 584251742 /nfs/dbraw/zinc/25/17/42/584251742.db2.gz BFQHNLBDEAENMW-CMPLNLGQSA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000899919580 584251794 /nfs/dbraw/zinc/25/17/94/584251794.db2.gz BFQHNLBDEAENMW-JQWIXIFHSA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000899919581 584251817 /nfs/dbraw/zinc/25/18/17/584251817.db2.gz BFQHNLBDEAENMW-PWSUYJOCSA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000899919582 584252297 /nfs/dbraw/zinc/25/22/97/584252297.db2.gz BFQHNLBDEAENMW-ZYHUDNBSSA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000899920078 584252593 /nfs/dbraw/zinc/25/25/93/584252593.db2.gz IDUVQYILKPZQNA-UHFFFAOYSA-N 2 0 211.309 -0.240 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000899920082 584252315 /nfs/dbraw/zinc/25/23/15/584252315.db2.gz IKIHQVJJKJMIJZ-GXSJLCMTSA-N 2 0 229.324 -0.881 20 0 BBADRP C[NH+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000899920083 584252320 /nfs/dbraw/zinc/25/23/20/584252320.db2.gz IKIHQVJJKJMIJZ-KOLCDFICSA-N 2 0 229.324 -0.881 20 0 BBADRP C[NH+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000899920084 584252348 /nfs/dbraw/zinc/25/23/48/584252348.db2.gz IKIHQVJJKJMIJZ-MWLCHTKSSA-N 2 0 229.324 -0.881 20 0 BBADRP C[NH+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000899920085 584252600 /nfs/dbraw/zinc/25/26/00/584252600.db2.gz IKIHQVJJKJMIJZ-ONGXEEELSA-N 2 0 229.324 -0.881 20 0 BBADRP C[NH+](C)CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000899920932 584252038 /nfs/dbraw/zinc/25/20/38/584252038.db2.gz VKLOHHPJEBYSQL-GFCCVEGCSA-N 2 0 243.351 -0.489 20 0 BBADRP C[NH+](C)CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000899920933 584252055 /nfs/dbraw/zinc/25/20/55/584252055.db2.gz VKLOHHPJEBYSQL-LBPRGKRZSA-N 2 0 243.351 -0.489 20 0 BBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+](C)C ZINC000900163976 584281616 /nfs/dbraw/zinc/28/16/16/584281616.db2.gz WJZXCDUUOGGVAT-CKYFFXLPSA-N 2 0 243.351 -0.492 20 0 BBADRP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+](C)C ZINC000900163977 584281687 /nfs/dbraw/zinc/28/16/87/584281687.db2.gz WJZXCDUUOGGVAT-FOGDFJRCSA-N 2 0 243.351 -0.492 20 0 BBADRP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)[NH+](C)C ZINC000900164105 584281569 /nfs/dbraw/zinc/28/15/69/584281569.db2.gz WJZXCDUUOGGVAT-JFGNBEQYSA-N 2 0 243.351 -0.492 20 0 BBADRP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[NH+](C)C ZINC000900164107 584281548 /nfs/dbraw/zinc/28/15/48/584281548.db2.gz WJZXCDUUOGGVAT-SCVCMEIPSA-N 2 0 243.351 -0.492 20 0 BBADRP CN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900927818 637211099 /nfs/dbraw/zinc/21/10/99/637211099.db2.gz SSZLSGIZEJNEQO-CMPLNLGQSA-N 2 0 243.351 -0.539 20 0 BBADRP CN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900927820 637210952 /nfs/dbraw/zinc/21/09/52/637210952.db2.gz SSZLSGIZEJNEQO-JQWIXIFHSA-N 2 0 243.351 -0.539 20 0 BBADRP CN(CC[NH+](C)C)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900927822 637213364 /nfs/dbraw/zinc/21/33/64/637213364.db2.gz SSZLSGIZEJNEQO-PWSUYJOCSA-N 2 0 243.351 -0.539 20 0 BBADRP CN(CC[NH+](C)C)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900927824 637212227 /nfs/dbraw/zinc/21/22/27/637212227.db2.gz SSZLSGIZEJNEQO-ZYHUDNBSSA-N 2 0 243.351 -0.539 20 0 BBADRP O=C(NCC[NH+]1CCC1)C12CC[NH+](CC1)C2 ZINC000901180200 584392096 /nfs/dbraw/zinc/39/20/96/584392096.db2.gz CZRAUYLHSFJHOO-UHFFFAOYSA-N 2 0 223.320 -0.096 20 0 BBADRP C[C@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CC1 ZINC000902408096 584574817 /nfs/dbraw/zinc/57/48/17/584574817.db2.gz WRWCFQFPANSLLK-NXEZZACHSA-N 2 0 213.325 -0.166 20 0 BBADRP C[C@@H](C[C@H]1COCC[NH2+]1)NCC1([NH3+])CC1 ZINC000902408098 584574752 /nfs/dbraw/zinc/57/47/52/584574752.db2.gz WRWCFQFPANSLLK-UWVGGRQHSA-N 2 0 213.325 -0.166 20 0 BBADRP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CC1 ZINC000902408100 584574452 /nfs/dbraw/zinc/57/44/52/584574452.db2.gz WRWCFQFPANSLLK-VHSXEESVSA-N 2 0 213.325 -0.166 20 0 BBADRP C[C@H](C[C@H]1COCC[NH2+]1)NCC1([NH3+])CC1 ZINC000902408101 584574717 /nfs/dbraw/zinc/57/47/17/584574717.db2.gz WRWCFQFPANSLLK-ZJUUUORDSA-N 2 0 213.325 -0.166 20 0 BBADRP NOCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000902416100 584590725 /nfs/dbraw/zinc/59/07/25/584590725.db2.gz RLYDLTANRDBWER-LADJIXMOSA-N 2 0 211.309 -0.147 20 0 BBADRP NOCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000902416101 584590201 /nfs/dbraw/zinc/59/02/01/584590201.db2.gz RLYDLTANRDBWER-MFDAYCCISA-N 2 0 211.309 -0.147 20 0 BBADRP NOCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000902416102 584590258 /nfs/dbraw/zinc/59/02/58/584590258.db2.gz RLYDLTANRDBWER-OGBGREFGSA-N 2 0 211.309 -0.147 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000902442013 584597668 /nfs/dbraw/zinc/59/76/68/584597668.db2.gz GQLIWCNDRSSPRP-NXEZZACHSA-N 2 0 213.325 -0.438 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000902442014 584597706 /nfs/dbraw/zinc/59/77/06/584597706.db2.gz GQLIWCNDRSSPRP-UWVGGRQHSA-N 2 0 213.325 -0.438 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000902442015 584597957 /nfs/dbraw/zinc/59/79/57/584597957.db2.gz GQLIWCNDRSSPRP-VHSXEESVSA-N 2 0 213.325 -0.438 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000902442016 584597921 /nfs/dbraw/zinc/59/79/21/584597921.db2.gz GQLIWCNDRSSPRP-ZJUUUORDSA-N 2 0 213.325 -0.438 20 0 BBADRP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2N[C@H]1C[NH2+]CCOC1 ZINC000902460252 584610803 /nfs/dbraw/zinc/61/08/03/584610803.db2.gz FXWPXAQDVCSLJA-RCWTZXSCSA-N 2 0 211.309 -0.543 20 0 BBADRP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2N[C@@H]1C[NH2+]CCOC1 ZINC000902460253 584610858 /nfs/dbraw/zinc/61/08/58/584610858.db2.gz FXWPXAQDVCSLJA-ZNSHCXBVSA-N 2 0 211.309 -0.543 20 0 BBADRP Cn1nnnc1CCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000902460875 584611756 /nfs/dbraw/zinc/61/17/56/584611756.db2.gz JWSLGHFZYHQQAC-BDAKNGLRSA-N 2 0 224.312 -0.388 20 0 BBADRP Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000902460876 584611778 /nfs/dbraw/zinc/61/17/78/584611778.db2.gz JWSLGHFZYHQQAC-DTWKUNHWSA-N 2 0 224.312 -0.388 20 0 BBADRP Cn1nnnc1CCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000902460877 584611735 /nfs/dbraw/zinc/61/17/35/584611735.db2.gz JWSLGHFZYHQQAC-IUCAKERBSA-N 2 0 224.312 -0.388 20 0 BBADRP Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000902460878 584611821 /nfs/dbraw/zinc/61/18/21/584611821.db2.gz JWSLGHFZYHQQAC-RKDXNWHRSA-N 2 0 224.312 -0.388 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1nnnn1C ZINC000902461277 584611325 /nfs/dbraw/zinc/61/13/25/584611325.db2.gz NLZSHPJDLCDBNT-BDAKNGLRSA-N 2 0 226.328 -0.142 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCc1nnnn1C ZINC000902461278 584611807 /nfs/dbraw/zinc/61/18/07/584611807.db2.gz NLZSHPJDLCDBNT-DTWKUNHWSA-N 2 0 226.328 -0.142 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCc1nnnn1C ZINC000902461279 584611363 /nfs/dbraw/zinc/61/13/63/584611363.db2.gz NLZSHPJDLCDBNT-IUCAKERBSA-N 2 0 226.328 -0.142 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCc1nnnn1C ZINC000902461280 584611706 /nfs/dbraw/zinc/61/17/06/584611706.db2.gz NLZSHPJDLCDBNT-RKDXNWHRSA-N 2 0 226.328 -0.142 20 0 BBADRP Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000902461748 584611296 /nfs/dbraw/zinc/61/12/96/584611296.db2.gz RBFIGIDSAUXWCE-NXEZZACHSA-N 2 0 238.339 -0.140 20 0 BBADRP Cn1nnnc1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000902461749 584611429 /nfs/dbraw/zinc/61/14/29/584611429.db2.gz RBFIGIDSAUXWCE-UWVGGRQHSA-N 2 0 238.339 -0.140 20 0 BBADRP Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000902461750 584611383 /nfs/dbraw/zinc/61/13/83/584611383.db2.gz RBFIGIDSAUXWCE-VHSXEESVSA-N 2 0 238.339 -0.140 20 0 BBADRP Cn1nnnc1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000902461751 584611781 /nfs/dbraw/zinc/61/17/81/584611781.db2.gz RBFIGIDSAUXWCE-ZJUUUORDSA-N 2 0 238.339 -0.140 20 0 BBADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2N[C@@H]1C[NH2+]CCOC1 ZINC000902464964 584613126 /nfs/dbraw/zinc/61/31/26/584613126.db2.gz FXWPXAQDVCSLJA-CHWFTXMASA-N 2 0 211.309 -0.543 20 0 BBADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2N[C@H]1C[NH2+]CCOC1 ZINC000902464967 584612903 /nfs/dbraw/zinc/61/29/03/584612903.db2.gz FXWPXAQDVCSLJA-VPOLOUISSA-N 2 0 211.309 -0.543 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486524 584626031 /nfs/dbraw/zinc/62/60/31/584626031.db2.gz FWNMJRWJFVKDAZ-DBIOUOCHSA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486526 584625772 /nfs/dbraw/zinc/62/57/72/584625772.db2.gz FWNMJRWJFVKDAZ-GWOFURMSSA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486528 584626268 /nfs/dbraw/zinc/62/62/68/584626268.db2.gz FWNMJRWJFVKDAZ-NAKRPEOUSA-N 2 0 241.335 -0.393 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486530 584625887 /nfs/dbraw/zinc/62/58/87/584625887.db2.gz FWNMJRWJFVKDAZ-XWLWVQCSSA-N 2 0 241.335 -0.393 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000902513417 584623205 /nfs/dbraw/zinc/62/32/05/584623205.db2.gz GBGWFNXTINWCQB-DCAQKATOSA-N 2 0 216.325 -0.029 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000902513419 584622899 /nfs/dbraw/zinc/62/28/99/584622899.db2.gz GBGWFNXTINWCQB-GARJFASQSA-N 2 0 216.325 -0.029 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000902513420 584623426 /nfs/dbraw/zinc/62/34/26/584623426.db2.gz GBGWFNXTINWCQB-OUAUKWLOSA-N 2 0 216.325 -0.029 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000902513422 584622965 /nfs/dbraw/zinc/62/29/65/584622965.db2.gz GBGWFNXTINWCQB-VWYCJHECSA-N 2 0 216.325 -0.029 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000902514079 584629530 /nfs/dbraw/zinc/62/95/30/584629530.db2.gz LRQKWQFCZJWINI-GUBZILKMSA-N 2 0 202.298 -0.289 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000902514080 584629586 /nfs/dbraw/zinc/62/95/86/584629586.db2.gz LRQKWQFCZJWINI-LPEHRKFASA-N 2 0 202.298 -0.289 20 0 BBADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CO)CC1(C)C ZINC000902727517 584661395 /nfs/dbraw/zinc/66/13/95/584661395.db2.gz XAYHAMQWLGCQAQ-NXEZZACHSA-N 2 0 216.325 -0.198 20 0 BBADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CO)CC1(C)C ZINC000902727518 584661350 /nfs/dbraw/zinc/66/13/50/584661350.db2.gz XAYHAMQWLGCQAQ-VHSXEESVSA-N 2 0 216.325 -0.198 20 0 BBADRP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000902935566 584700203 /nfs/dbraw/zinc/70/02/03/584700203.db2.gz XCFLEDFWNFIRKX-AOOOYVTPSA-N 2 0 226.324 -0.306 20 0 BBADRP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000902935567 584700216 /nfs/dbraw/zinc/70/02/16/584700216.db2.gz XCFLEDFWNFIRKX-NXEZZACHSA-N 2 0 226.324 -0.306 20 0 BBADRP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000902935568 584700434 /nfs/dbraw/zinc/70/04/34/584700434.db2.gz XCFLEDFWNFIRKX-UWVGGRQHSA-N 2 0 226.324 -0.306 20 0 BBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCO ZINC000902953108 584704678 /nfs/dbraw/zinc/70/46/78/584704678.db2.gz OSGJPXSXZCEVJH-NSHDSACASA-N 2 0 245.367 -0.243 20 0 BBADRP CON1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000903420938 584763818 /nfs/dbraw/zinc/76/38/18/584763818.db2.gz GZQCHDJZQBVLBN-JTQLQIEISA-N 2 0 227.308 -0.181 20 0 BBADRP CON1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000903420939 584763500 /nfs/dbraw/zinc/76/35/00/584763500.db2.gz GZQCHDJZQBVLBN-SNVBAGLBSA-N 2 0 227.308 -0.181 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903422878 584764195 /nfs/dbraw/zinc/76/41/95/584764195.db2.gz LCAZOLOLCSMBQZ-OLZOCXBDSA-N 3 0 240.395 -0.049 20 0 BBADRP CN(CCN1CC[NH2+]CC1)C[C@H]1CCC[NH2+]1 ZINC000903423140 584764582 /nfs/dbraw/zinc/76/45/82/584764582.db2.gz PQHLKSKTELQXBM-GFCCVEGCSA-N 2 0 226.368 -0.425 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000903423376 584764579 /nfs/dbraw/zinc/76/45/79/584764579.db2.gz TTYHSGRXDVCLGI-OLZOCXBDSA-N 3 0 240.395 -0.321 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CCC[NH2+]2)CCO1 ZINC000903426103 584761023 /nfs/dbraw/zinc/76/10/23/584761023.db2.gz HMBLFOJTIVEVBT-AXFHLTTASA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C[C@H]2CCC[NH2+]2)CCO1 ZINC000903426104 584760993 /nfs/dbraw/zinc/76/09/93/584760993.db2.gz HMBLFOJTIVEVBT-GMTAPVOTSA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2CCC[NH2+]2)CCO1 ZINC000903426105 584761106 /nfs/dbraw/zinc/76/11/06/584761106.db2.gz HMBLFOJTIVEVBT-HBNTYKKESA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C[C@H]2CCC[NH2+]2)CCO1 ZINC000903426106 584761275 /nfs/dbraw/zinc/76/12/75/584761275.db2.gz HMBLFOJTIVEVBT-MXWKQRLJSA-N 2 0 213.325 -0.214 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903426446 584760871 /nfs/dbraw/zinc/76/08/71/584760871.db2.gz JHMQGDHMRJJLQS-NOOOWODRSA-N 2 0 227.352 -0.110 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903426447 584761272 /nfs/dbraw/zinc/76/12/72/584761272.db2.gz JHMQGDHMRJJLQS-RHYQMDGZSA-N 2 0 227.352 -0.110 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903426448 584760942 /nfs/dbraw/zinc/76/09/42/584760942.db2.gz JHMQGDHMRJJLQS-WISYIIOYSA-N 2 0 227.352 -0.110 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903426449 584761164 /nfs/dbraw/zinc/76/11/64/584761164.db2.gz JHMQGDHMRJJLQS-WYUUTHIRSA-N 2 0 227.352 -0.110 20 0 BBADRP NC(=O)[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903435164 584762395 /nfs/dbraw/zinc/76/23/95/584762395.db2.gz PVQLCIMFSNHAFS-AEJSXWLSSA-N 2 0 227.308 -0.700 20 0 BBADRP NC(=O)[C@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903435166 584762247 /nfs/dbraw/zinc/76/22/47/584762247.db2.gz PVQLCIMFSNHAFS-IVZWLZJFSA-N 2 0 227.308 -0.700 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903448651 584771263 /nfs/dbraw/zinc/77/12/63/584771263.db2.gz HXCPBBRRGZHILC-VWYCJHECSA-N 2 0 213.325 -0.227 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN(CC[NH3+])CCO ZINC000903449254 584771503 /nfs/dbraw/zinc/77/15/03/584771503.db2.gz RBUGCTCFXJJTGQ-ZJUUUORDSA-N 2 0 201.314 -0.905 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903449827 584771054 /nfs/dbraw/zinc/77/10/54/584771054.db2.gz HVSCGYPLMMLDPG-KXNHARMFSA-N 2 0 209.337 -0.007 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCO[C@H](C[NH3+])C1 ZINC000903450088 584772120 /nfs/dbraw/zinc/77/21/20/584772120.db2.gz ZSVLNEXKEKQMTL-OUAUKWLOSA-N 2 0 213.325 -0.499 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCO[C@@H](C[NH3+])C1 ZINC000903450108 584771710 /nfs/dbraw/zinc/77/17/10/584771710.db2.gz ZSVLNEXKEKQMTL-VWYCJHECSA-N 2 0 213.325 -0.499 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]1CCC[NH2+]1 ZINC000903453022 584772585 /nfs/dbraw/zinc/77/25/85/584772585.db2.gz WWAZIBXCOABASO-GHMZBOCLSA-N 2 0 241.335 -0.425 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1CCC[NH2+]1 ZINC000903453023 584772595 /nfs/dbraw/zinc/77/25/95/584772595.db2.gz WWAZIBXCOABASO-MNOVXSKESA-N 2 0 241.335 -0.425 20 0 BBADRP C([C@H]1CCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000903453778 584772574 /nfs/dbraw/zinc/77/25/74/584772574.db2.gz LGVTVEORGKXCAK-CHWSQXEVSA-N 2 0 238.379 -0.282 20 0 BBADRP C([C@H]1CCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903453779 584773065 /nfs/dbraw/zinc/77/30/65/584773065.db2.gz LGVTVEORGKXCAK-OLZOCXBDSA-N 2 0 238.379 -0.282 20 0 BBADRP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903453949 584772565 /nfs/dbraw/zinc/77/25/65/584772565.db2.gz QCLGNMUIIMBVKT-QWRGUYRKSA-N 2 0 226.320 -0.036 20 0 BBADRP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903453950 584772916 /nfs/dbraw/zinc/77/29/16/584772916.db2.gz QCLGNMUIIMBVKT-WDEREUQCSA-N 2 0 226.320 -0.036 20 0 BBADRP O=C(CC[N@H+]1CCC[C@H]1CO)N1CC[NH2+]CC1 ZINC000903454336 584773318 /nfs/dbraw/zinc/77/33/18/584773318.db2.gz YGODAAXADRDBLE-NSHDSACASA-N 2 0 241.335 -0.735 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@H](O)C[NH3+] ZINC000903454390 584773195 /nfs/dbraw/zinc/77/31/95/584773195.db2.gz ZLRWPWACSPRZQO-KXUCPTDWSA-N 2 0 201.314 -0.907 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@@H](O)C[NH3+] ZINC000903454429 584773423 /nfs/dbraw/zinc/77/34/23/584773423.db2.gz ZLRWPWACSPRZQO-UTLUCORTSA-N 2 0 201.314 -0.907 20 0 BBADRP NS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903454884 584773702 /nfs/dbraw/zinc/77/37/02/584773702.db2.gz MIRXRLUPXTZQQV-AEJSXWLSSA-N 2 0 247.364 -0.523 20 0 BBADRP NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903454885 584773498 /nfs/dbraw/zinc/77/34/98/584773498.db2.gz MIRXRLUPXTZQQV-IVZWLZJFSA-N 2 0 247.364 -0.523 20 0 BBADRP COC(=O)[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903454939 584773466 /nfs/dbraw/zinc/77/34/66/584773466.db2.gz OHQPULLMXBRLOQ-OUAUKWLOSA-N 2 0 242.319 -0.012 20 0 BBADRP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903454940 584773219 /nfs/dbraw/zinc/77/32/19/584773219.db2.gz OHQPULLMXBRLOQ-VWYCJHECSA-N 2 0 242.319 -0.012 20 0 BBADRP CNC(=O)[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903456278 584774230 /nfs/dbraw/zinc/77/42/30/584774230.db2.gz FJAVUCMKKJBTDE-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP CNC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903456279 584774373 /nfs/dbraw/zinc/77/43/73/584774373.db2.gz FJAVUCMKKJBTDE-VWYCJHECSA-N 2 0 241.335 -0.439 20 0 BBADRP CN(C)C(=O)[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000903457306 584774296 /nfs/dbraw/zinc/77/42/96/584774296.db2.gz QLLOPRFNHMOKRF-GHMZBOCLSA-N 2 0 240.351 -0.900 20 0 BBADRP CN(C)C(=O)[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000903457317 584774329 /nfs/dbraw/zinc/77/43/29/584774329.db2.gz QLLOPRFNHMOKRF-MNOVXSKESA-N 2 0 240.351 -0.900 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCCO[C@H](C[NH3+])C1 ZINC000903458684 584765037 /nfs/dbraw/zinc/76/50/37/584765037.db2.gz GXHOMNZFGILTBE-GRYCIOLGSA-N 2 0 227.352 -0.109 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCCO[C@@H](C[NH3+])C1 ZINC000903458685 584765362 /nfs/dbraw/zinc/76/53/62/584765362.db2.gz GXHOMNZFGILTBE-WOPDTQHZSA-N 2 0 227.352 -0.109 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@H]2CCC[NH2+]2)CCCO1 ZINC000903458917 584765889 /nfs/dbraw/zinc/76/58/89/584765889.db2.gz NAZDXYBHCMFJQM-GHMZBOCLSA-N 2 0 213.325 -0.212 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@H]2CCC[NH2+]2)CCCO1 ZINC000903458918 584766084 /nfs/dbraw/zinc/76/60/84/584766084.db2.gz NAZDXYBHCMFJQM-MNOVXSKESA-N 2 0 213.325 -0.212 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000903459847 584766948 /nfs/dbraw/zinc/76/69/48/584766948.db2.gz OSEIZIPYENRVMB-MNOVXSKESA-N 3 0 227.352 -0.373 20 0 BBADRP CON1CC[C@H](N2CCC3(CC[NH2+]3)CC2)C1=O ZINC000903459892 584766912 /nfs/dbraw/zinc/76/69/12/584766912.db2.gz PXVABPZDIRCNPV-JTQLQIEISA-N 2 0 239.319 -0.023 20 0 BBADRP CON1CC[C@@H](N2CCC3(CC[NH2+]3)CC2)C1=O ZINC000903459893 584766506 /nfs/dbraw/zinc/76/65/06/584766506.db2.gz PXVABPZDIRCNPV-SNVBAGLBSA-N 2 0 239.319 -0.023 20 0 BBADRP Cn1cc([C@@H]2CN(C[C@H]3CCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000903460180 584766685 /nfs/dbraw/zinc/76/66/85/584766685.db2.gz ZGACYXSTFSSWKS-FRRDWIJNSA-N 2 0 249.362 -0.101 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000903463443 637364200 /nfs/dbraw/zinc/36/42/00/637364200.db2.gz BDIWAFOVVHISQW-QNWHQSFQSA-N 2 0 239.363 -0.135 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000903463856 637364111 /nfs/dbraw/zinc/36/41/11/637364111.db2.gz PRBVSASLFSZYRK-MROQNXINSA-N 2 0 239.363 -0.407 20 0 BBADRP [NH3+]CCOCCN[C@H]1CC[NH2+]C12CCC2 ZINC000903470317 584774496 /nfs/dbraw/zinc/77/44/96/584774496.db2.gz KUBRBNJUIRANMW-JTQLQIEISA-N 2 0 213.325 -0.164 20 0 BBADRP [NH3+]CCOCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000903470318 584774805 /nfs/dbraw/zinc/77/48/05/584774805.db2.gz KUBRBNJUIRANMW-SNVBAGLBSA-N 2 0 213.325 -0.164 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903470738 584774875 /nfs/dbraw/zinc/77/48/75/584774875.db2.gz CGGJEYPWYNXZJA-GHMZBOCLSA-N 2 0 227.352 -0.169 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903470741 584774733 /nfs/dbraw/zinc/77/47/33/584774733.db2.gz CGGJEYPWYNXZJA-MNOVXSKESA-N 2 0 227.352 -0.169 20 0 BBADRP C[NH2+]C[C@](C)(O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000903470742 584774502 /nfs/dbraw/zinc/77/45/02/584774502.db2.gz CGGJEYPWYNXZJA-QWRGUYRKSA-N 2 0 227.352 -0.169 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000903470743 584774999 /nfs/dbraw/zinc/77/49/99/584774999.db2.gz CGGJEYPWYNXZJA-WDEREUQCSA-N 2 0 227.352 -0.169 20 0 BBADRP C(CN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903471574 584775714 /nfs/dbraw/zinc/77/57/14/584775714.db2.gz UEGMIESTTCNBMW-GFCCVEGCSA-N 2 0 238.379 -0.234 20 0 BBADRP C(CN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000903471575 584775421 /nfs/dbraw/zinc/77/54/21/584775421.db2.gz UEGMIESTTCNBMW-LBPRGKRZSA-N 2 0 238.379 -0.234 20 0 BBADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[NH2+]CCO1 ZINC000903471819 584775235 /nfs/dbraw/zinc/77/52/35/584775235.db2.gz NFEQHADWVDOJRK-GHMZBOCLSA-N 2 0 225.336 -0.151 20 0 BBADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1C[NH2+]CCO1 ZINC000903471820 584775631 /nfs/dbraw/zinc/77/56/31/584775631.db2.gz NFEQHADWVDOJRK-MNOVXSKESA-N 2 0 225.336 -0.151 20 0 BBADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000903471821 584775500 /nfs/dbraw/zinc/77/55/00/584775500.db2.gz NFEQHADWVDOJRK-QWRGUYRKSA-N 2 0 225.336 -0.151 20 0 BBADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000903471822 584775707 /nfs/dbraw/zinc/77/57/07/584775707.db2.gz NFEQHADWVDOJRK-WDEREUQCSA-N 2 0 225.336 -0.151 20 0 BBADRP C[NH2+]CCOCCN(C)C[C@H]1CCC[NH2+]1 ZINC000903473909 584775894 /nfs/dbraw/zinc/77/58/94/584775894.db2.gz BVNQAGYPOARZGR-LLVKDONJSA-N 2 0 215.341 -0.094 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCOCC[NH3+] ZINC000903474003 584776741 /nfs/dbraw/zinc/77/67/41/584776741.db2.gz DPCDNZPLSQAHFY-MNOVXSKESA-N 3 0 215.341 -0.251 20 0 BBADRP NC(=O)C[C@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903474554 584777014 /nfs/dbraw/zinc/77/70/14/584777014.db2.gz OPIAYWZQNXTBPH-AXFHLTTASA-N 2 0 241.335 -0.310 20 0 BBADRP NC(=O)C[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000903474555 584776900 /nfs/dbraw/zinc/77/69/00/584776900.db2.gz OPIAYWZQNXTBPH-HBNTYKKESA-N 2 0 241.335 -0.310 20 0 BBADRP CN(CCOCC[NH3+])C[C@H]1CCC[NH2+]1 ZINC000903474955 584776982 /nfs/dbraw/zinc/77/69/82/584776982.db2.gz WHAZSWLDHQWDBD-SNVBAGLBSA-N 3 0 201.314 -0.355 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)C1 ZINC000903476008 584776636 /nfs/dbraw/zinc/77/66/36/584776636.db2.gz KTOPSQBTMFFVJZ-ZDCRXTMVSA-N 2 0 214.309 -0.459 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000903476185 584777412 /nfs/dbraw/zinc/77/74/12/584777412.db2.gz PHSROBIIKZJBGM-YTWAJWBKSA-N 2 0 214.309 -0.731 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([NH2+]CCO)CC1 ZINC000903477258 584777569 /nfs/dbraw/zinc/77/75/69/584777569.db2.gz WLIXEUYKYOKUGE-NEPJUHHUSA-N 2 0 241.379 -0.112 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(CO)(CO)CC1 ZINC000903479040 584778145 /nfs/dbraw/zinc/77/81/45/584778145.db2.gz QTBJPKWOWFRTOT-NEPJUHHUSA-N 2 0 242.363 -0.091 20 0 BBADRP COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482925 584778805 /nfs/dbraw/zinc/77/88/05/584778805.db2.gz YSCMSMIZFZLWLI-UTLUCORTSA-N 2 0 229.324 -0.454 20 0 BBADRP OC[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903490994 584781102 /nfs/dbraw/zinc/78/11/02/584781102.db2.gz QCLGNMUIIMBVKT-GHMZBOCLSA-N 2 0 226.320 -0.036 20 0 BBADRP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903490995 584780988 /nfs/dbraw/zinc/78/09/88/584780988.db2.gz QCLGNMUIIMBVKT-MNOVXSKESA-N 2 0 226.320 -0.036 20 0 BBADRP O=C(CC[N@H+]1CCC[C@@H]1CO)N1CC[NH2+]CC1 ZINC000903491167 584780968 /nfs/dbraw/zinc/78/09/68/584780968.db2.gz YGODAAXADRDBLE-LLVKDONJSA-N 2 0 241.335 -0.735 20 0 BBADRP COCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492285 584781002 /nfs/dbraw/zinc/78/10/02/584781002.db2.gz LNIARGNGEPAVAM-UMNHJUIQSA-N 2 0 242.319 -0.155 20 0 BBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC[NH3+])C2 ZINC000903493243 584780830 /nfs/dbraw/zinc/78/08/30/584780830.db2.gz QKAIEUNDDUSJHB-UMNHJUIQSA-N 3 0 241.335 -0.453 20 0 BBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC[NH3+])C2 ZINC000903493252 584781117 /nfs/dbraw/zinc/78/11/17/584781117.db2.gz QVKGQAKGNAQQDR-NGZCFLSTSA-N 2 0 227.308 -0.843 20 0 BBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000903496895 584781050 /nfs/dbraw/zinc/78/10/50/584781050.db2.gz IZMVWKSJEIMPJR-NXEZZACHSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H]1CC[NH3+] ZINC000903498499 584779933 /nfs/dbraw/zinc/77/99/33/584779933.db2.gz INVJEZAKXFBUEB-NXEZZACHSA-N 2 0 249.380 -0.418 20 0 BBADRP C[C@@H]1C[N@H+](CCc2nnnn2C)C[C@H]1CC[NH3+] ZINC000903498884 584779978 /nfs/dbraw/zinc/77/99/78/584779978.db2.gz MOLRQQAJTNWDQT-NXEZZACHSA-N 2 0 238.339 -0.331 20 0 BBADRP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H]1CC[NH3+] ZINC000903499154 584780012 /nfs/dbraw/zinc/78/00/12/584780012.db2.gz HWHRRYYJBRFSNY-GHMZBOCLSA-N 3 0 215.341 -0.122 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H]2CNCCO2)C[C@H]1CC[NH3+] ZINC000903499361 584780284 /nfs/dbraw/zinc/78/02/84/584780284.db2.gz RUBCLCKEMXDHKO-IJLUTSLNSA-N 3 0 227.352 -0.109 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H]2CNCCO2)C[C@H]1CC[NH3+] ZINC000903499363 584779806 /nfs/dbraw/zinc/77/98/06/584779806.db2.gz RUBCLCKEMXDHKO-UTUOFQBUSA-N 3 0 227.352 -0.109 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499436 584780103 /nfs/dbraw/zinc/78/01/03/584780103.db2.gz VDSNCIUIPMOTEC-IJLUTSLNSA-N 2 0 229.368 -0.127 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499437 584779773 /nfs/dbraw/zinc/77/97/73/584779773.db2.gz VDSNCIUIPMOTEC-UTUOFQBUSA-N 2 0 229.368 -0.127 20 0 BBADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000903500368 584780008 /nfs/dbraw/zinc/78/00/08/584780008.db2.gz YWISCCQHBINSQB-CHWSQXEVSA-N 3 0 240.395 -0.192 20 0 BBADRP [NH3+]CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507332 584781661 /nfs/dbraw/zinc/78/16/61/584781661.db2.gz WOOKABVBYCLBQH-BETUJISGSA-N 2 0 238.379 -0.154 20 0 BBADRP [NH3+]CCOCCN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903513559 584781343 /nfs/dbraw/zinc/78/13/43/584781343.db2.gz CYUQTLYAODQAAR-HTQZYQBOSA-N 2 0 241.257 -0.217 20 0 BBADRP [NH3+]C1(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000903523894 584781329 /nfs/dbraw/zinc/78/13/29/584781329.db2.gz VSRWDUHWSHNRIW-MRVPVSSYSA-N 2 0 233.337 -0.851 20 0 BBADRP [NH3+]C1(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000903523895 584781479 /nfs/dbraw/zinc/78/14/79/584781479.db2.gz VSRWDUHWSHNRIW-QMMMGPOBSA-N 2 0 233.337 -0.851 20 0 BBADRP [NH3+]C1(CNS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000903524100 584781280 /nfs/dbraw/zinc/78/12/80/584781280.db2.gz DMIOMCCOKONRDA-UHFFFAOYSA-N 2 0 247.364 -0.603 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)NCC1([NH3+])CC1 ZINC000903524707 584781356 /nfs/dbraw/zinc/78/13/56/584781356.db2.gz WHHLKGGJGQNEIP-UHFFFAOYSA-N 2 0 235.353 -0.651 20 0 BBADRP C[NH2+]C[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000903528787 637368342 /nfs/dbraw/zinc/36/83/42/637368342.db2.gz WGSMMASRRRTXRG-ZDUSSCGKSA-N 2 0 240.395 -0.035 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000903529351 637368609 /nfs/dbraw/zinc/36/86/09/637368609.db2.gz YCBODRLVHJSTLE-NXEZZACHSA-N 2 0 249.380 -0.535 20 0 BBADRP CNS(=O)(=O)CCCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903556397 584782870 /nfs/dbraw/zinc/78/28/70/584782870.db2.gz XOILXSCDTUPICK-SECBINFHSA-N 2 0 249.380 -0.405 20 0 BBADRP CNS(=O)(=O)CCCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903556398 584782997 /nfs/dbraw/zinc/78/29/97/584782997.db2.gz XOILXSCDTUPICK-VIFPVBQESA-N 2 0 249.380 -0.405 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903556597 584783054 /nfs/dbraw/zinc/78/30/54/584783054.db2.gz BGDKAUYDFDVWMB-GXSJLCMTSA-N 2 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903556598 584783285 /nfs/dbraw/zinc/78/32/85/584783285.db2.gz BGDKAUYDFDVWMB-KOLCDFICSA-N 2 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903556599 584782857 /nfs/dbraw/zinc/78/28/57/584782857.db2.gz BGDKAUYDFDVWMB-MWLCHTKSSA-N 2 0 215.341 -0.374 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903556600 584783135 /nfs/dbraw/zinc/78/31/35/584783135.db2.gz BGDKAUYDFDVWMB-ONGXEEELSA-N 2 0 215.341 -0.374 20 0 BBADRP CC1(C)CN(CCOCC[NH3+])C[C@H]1[NH3+] ZINC000903558519 584782780 /nfs/dbraw/zinc/78/27/80/584782780.db2.gz NESIIQAACBQMNQ-SECBINFHSA-N 3 0 201.314 -0.369 20 0 BBADRP CC1(C)CN(CCOCC[NH3+])C[C@@H]1[NH3+] ZINC000903558526 584783017 /nfs/dbraw/zinc/78/30/17/584783017.db2.gz NESIIQAACBQMNQ-VIFPVBQESA-N 3 0 201.314 -0.369 20 0 BBADRP CC1(C)CN(CCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903558914 584782711 /nfs/dbraw/zinc/78/27/11/584782711.db2.gz UEHCIWUFTAPNSM-LLVKDONJSA-N 3 0 226.368 -0.439 20 0 BBADRP CC1(C)CN(CCN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903558915 584782675 /nfs/dbraw/zinc/78/26/75/584782675.db2.gz UEHCIWUFTAPNSM-NSHDSACASA-N 3 0 226.368 -0.439 20 0 BBADRP CC1(C)CN(C[C@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC000903560170 584782042 /nfs/dbraw/zinc/78/20/42/584782042.db2.gz WBBNKAILCUWVNB-NXEZZACHSA-N 2 0 213.325 -0.356 20 0 BBADRP CC1(C)CN(C[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC000903560171 584782455 /nfs/dbraw/zinc/78/24/55/584782455.db2.gz WBBNKAILCUWVNB-UWVGGRQHSA-N 2 0 213.325 -0.356 20 0 BBADRP CC1(C)CN(C[C@@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC000903560172 584782578 /nfs/dbraw/zinc/78/25/78/584782578.db2.gz WBBNKAILCUWVNB-VHSXEESVSA-N 2 0 213.325 -0.356 20 0 BBADRP CC1(C)CN(C[C@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC000903560173 584782293 /nfs/dbraw/zinc/78/22/93/584782293.db2.gz WBBNKAILCUWVNB-ZJUUUORDSA-N 2 0 213.325 -0.356 20 0 BBADRP O=S(=O)(NC[C@H]1CCCCC[NH2+]1)C1C[NH2+]C1 ZINC000903566821 637370670 /nfs/dbraw/zinc/37/06/70/637370670.db2.gz HQHSENFKLKYJSC-SECBINFHSA-N 2 0 247.364 -0.590 20 0 BBADRP O=S(=O)(NC[C@@H]1CCCCC[NH2+]1)C1C[NH2+]C1 ZINC000903566822 637371201 /nfs/dbraw/zinc/37/12/01/637371201.db2.gz HQHSENFKLKYJSC-VIFPVBQESA-N 2 0 247.364 -0.590 20 0 BBADRP [NH3+]C[C@H]1C[C@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000903568517 584783550 /nfs/dbraw/zinc/78/35/50/584783550.db2.gz YRHAXOLEVLXHTP-GUBZILKMSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+]C[C@H]1C[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000903568518 584783556 /nfs/dbraw/zinc/78/35/56/584783556.db2.gz YRHAXOLEVLXHTP-OPRDCNLKSA-N 2 0 247.364 -0.605 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000903569687 584783321 /nfs/dbraw/zinc/78/33/21/584783321.db2.gz HXEAULGLOWMUOB-GHMZBOCLSA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000903569688 584783386 /nfs/dbraw/zinc/78/33/86/584783386.db2.gz HXEAULGLOWMUOB-MNOVXSKESA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000903569689 584783504 /nfs/dbraw/zinc/78/35/04/584783504.db2.gz HXEAULGLOWMUOB-QWRGUYRKSA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000903569690 584783633 /nfs/dbraw/zinc/78/36/33/584783633.db2.gz HXEAULGLOWMUOB-WDEREUQCSA-N 2 0 216.325 -0.075 20 0 BBADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000903569818 584783471 /nfs/dbraw/zinc/78/34/71/584783471.db2.gz QRNYZCJZBKIZRH-MGCOHNPYSA-N 2 0 249.380 -0.405 20 0 BBADRP C[NH2+]CCN(CCN1CC[NH2+]CC1)C(C)C ZINC000903572728 584784199 /nfs/dbraw/zinc/78/41/99/584784199.db2.gz BIYXBAOGYDWZSU-UHFFFAOYSA-N 2 0 228.384 -0.179 20 0 BBADRP C[NH2+]CCN(CCOCC[NH3+])C(C)C ZINC000903573305 584783959 /nfs/dbraw/zinc/78/39/59/584783959.db2.gz WZYVIEYOKQAIJO-UHFFFAOYSA-N 2 0 203.330 -0.109 20 0 BBADRP C[NH2+]CCN(C[C@H]1C[NH2+]CCO1)C(C)C ZINC000903573966 584783937 /nfs/dbraw/zinc/78/39/37/584783937.db2.gz OLYSCPNTFVLXJU-LLVKDONJSA-N 2 0 215.341 -0.095 20 0 BBADRP C[NH2+]CCN(C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000903573967 584783851 /nfs/dbraw/zinc/78/38/51/584783851.db2.gz OLYSCPNTFVLXJU-NSHDSACASA-N 2 0 215.341 -0.095 20 0 BBADRP CC[N@@H+](CCC(N)=O)CCN1CC[NH2+]CC1 ZINC000903577035 637374446 /nfs/dbraw/zinc/37/44/46/637374446.db2.gz DBIJHHCVBDAKPC-UHFFFAOYSA-N 2 0 228.340 -0.911 20 0 BBADRP CC[N@H+](CCC(N)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903577498 637374908 /nfs/dbraw/zinc/37/49/08/637374908.db2.gz NNMOOAKERUQKBT-JTQLQIEISA-N 2 0 241.335 -0.295 20 0 BBADRP CC[N@H+](CCC(N)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903577499 637373976 /nfs/dbraw/zinc/37/39/76/637373976.db2.gz NNMOOAKERUQKBT-SNVBAGLBSA-N 2 0 241.335 -0.295 20 0 BBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)C1C[NH2+]C1)C2 ZINC000903580269 637374701 /nfs/dbraw/zinc/37/47/01/637374701.db2.gz VUAKPPOWCMHBDS-CIUDSAMLSA-N 2 0 245.348 -0.900 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)C1C[NH2+]C1)C2 ZINC000903580270 637375036 /nfs/dbraw/zinc/37/50/36/637375036.db2.gz VUAKPPOWCMHBDS-YIZRAAEISA-N 2 0 245.348 -0.900 20 0 BBADRP [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)C1C[NH2+]C1 ZINC000903583163 584783615 /nfs/dbraw/zinc/78/36/15/584783615.db2.gz CCQUBWIQZSOWDB-PSASIEDQSA-N 2 0 245.348 -0.899 20 0 BBADRP [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)C1C[NH2+]C1 ZINC000903583164 584783698 /nfs/dbraw/zinc/78/36/98/584783698.db2.gz CCQUBWIQZSOWDB-SCZZXKLOSA-N 2 0 245.348 -0.899 20 0 BBADRP [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)C1C[NH2+]C1 ZINC000903583165 584783687 /nfs/dbraw/zinc/78/36/87/584783687.db2.gz CCQUBWIQZSOWDB-WCBMZHEXSA-N 2 0 245.348 -0.899 20 0 BBADRP [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)C1C[NH2+]C1 ZINC000903583166 584783469 /nfs/dbraw/zinc/78/34/69/584783469.db2.gz CCQUBWIQZSOWDB-WPRPVWTQSA-N 2 0 245.348 -0.899 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903591292 584784876 /nfs/dbraw/zinc/78/48/76/584784876.db2.gz CRTYJCXFIRPPBH-JTQLQIEISA-N 2 0 245.348 -0.884 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@]12CC[NH2+]C2 ZINC000903591293 584785167 /nfs/dbraw/zinc/78/51/67/584785167.db2.gz CRTYJCXFIRPPBH-SNVBAGLBSA-N 2 0 245.348 -0.884 20 0 BBADRP O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)C1C[NH2+]C1 ZINC000903609995 584784821 /nfs/dbraw/zinc/78/48/21/584784821.db2.gz VCTTYJWWAPHCBN-WPRPVWTQSA-N 2 0 245.348 -0.980 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713222 584793831 /nfs/dbraw/zinc/79/38/31/584793831.db2.gz ITCNHWPHDODTDF-GRYCIOLGSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713223 584793341 /nfs/dbraw/zinc/79/33/41/584793341.db2.gz ITCNHWPHDODTDF-IJLUTSLNSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713224 584793585 /nfs/dbraw/zinc/79/35/85/584793585.db2.gz ITCNHWPHDODTDF-UTUOFQBUSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713225 584793431 /nfs/dbraw/zinc/79/34/31/584793431.db2.gz ITCNHWPHDODTDF-WOPDTQHZSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903740541 584796352 /nfs/dbraw/zinc/79/63/52/584796352.db2.gz ITCNHWPHDODTDF-QJPTWQEYSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903740542 584795906 /nfs/dbraw/zinc/79/59/06/584795906.db2.gz ITCNHWPHDODTDF-SDDRHHMPSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740543 584795926 /nfs/dbraw/zinc/79/59/26/584795926.db2.gz ITCNHWPHDODTDF-SRVKXCTJSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740544 584796197 /nfs/dbraw/zinc/79/61/97/584796197.db2.gz ITCNHWPHDODTDF-TUAOUCFPSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+]CCN(CCO)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903744664 584796877 /nfs/dbraw/zinc/79/68/77/584796877.db2.gz VQHSBMNCSIWYAQ-NEPJUHHUSA-N 2 0 243.351 -0.992 20 0 BBADRP [NH3+]CCN(CCO)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903744665 584796398 /nfs/dbraw/zinc/79/63/98/584796398.db2.gz VQHSBMNCSIWYAQ-NWDGAFQWSA-N 2 0 243.351 -0.992 20 0 BBADRP [NH3+]CCN(CCO)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903744666 584796850 /nfs/dbraw/zinc/79/68/50/584796850.db2.gz VQHSBMNCSIWYAQ-RYUDHWBXSA-N 2 0 243.351 -0.992 20 0 BBADRP [NH3+]CCN(CCO)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903744667 584796522 /nfs/dbraw/zinc/79/65/22/584796522.db2.gz VQHSBMNCSIWYAQ-VXGBXAGGSA-N 2 0 243.351 -0.992 20 0 BBADRP [NH3+]CCN(CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903744720 584796467 /nfs/dbraw/zinc/79/64/67/584796467.db2.gz XNJLBCMDWHEHTG-LLVKDONJSA-N 2 0 215.341 -0.371 20 0 BBADRP [NH3+]CCN(CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903744721 584796484 /nfs/dbraw/zinc/79/64/84/584796484.db2.gz XNJLBCMDWHEHTG-NSHDSACASA-N 2 0 215.341 -0.371 20 0 BBADRP CN(C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1C[NH2+]C1 ZINC000903749140 584794557 /nfs/dbraw/zinc/79/45/57/584794557.db2.gz GCZZLHHRPQEZIH-NEPJUHHUSA-N 2 0 225.336 -0.341 20 0 BBADRP CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1C[NH2+]C1 ZINC000903749141 584794755 /nfs/dbraw/zinc/79/47/55/584794755.db2.gz GCZZLHHRPQEZIH-NWDGAFQWSA-N 2 0 225.336 -0.341 20 0 BBADRP CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1C[NH2+]C1 ZINC000903749142 584794817 /nfs/dbraw/zinc/79/48/17/584794817.db2.gz GCZZLHHRPQEZIH-RYUDHWBXSA-N 2 0 225.336 -0.341 20 0 BBADRP CN(C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1C[NH2+]C1 ZINC000903749143 584794713 /nfs/dbraw/zinc/79/47/13/584794713.db2.gz GCZZLHHRPQEZIH-VXGBXAGGSA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000903752026 584795403 /nfs/dbraw/zinc/79/54/03/584795403.db2.gz OYFLXIQAJNLJBZ-SRVKXCTJSA-N 2 0 227.352 -0.135 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000903752027 584795216 /nfs/dbraw/zinc/79/52/16/584795216.db2.gz OYFLXIQAJNLJBZ-TUAOUCFPSA-N 2 0 227.352 -0.135 20 0 BBADRP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000903752050 584795720 /nfs/dbraw/zinc/79/57/20/584795720.db2.gz PTFNWOGHAYVSLY-IVZWLZJFSA-N 2 0 230.308 -0.563 20 0 BBADRP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000903752051 584795754 /nfs/dbraw/zinc/79/57/54/584795754.db2.gz PTFNWOGHAYVSLY-LPEHRKFASA-N 2 0 230.308 -0.563 20 0 BBADRP C[NH2+]CCN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752728 584795792 /nfs/dbraw/zinc/79/57/92/584795792.db2.gz VMTFJCQHDMSJFW-NEPJUHHUSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH2+]CCN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752729 584795703 /nfs/dbraw/zinc/79/57/03/584795703.db2.gz VMTFJCQHDMSJFW-NWDGAFQWSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH2+]CCN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752730 584795589 /nfs/dbraw/zinc/79/55/89/584795589.db2.gz VMTFJCQHDMSJFW-RYUDHWBXSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH2+]CCN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752731 584795989 /nfs/dbraw/zinc/79/59/89/584795989.db2.gz VMTFJCQHDMSJFW-VXGBXAGGSA-N 2 0 227.352 -0.094 20 0 BBADRP CN(C[C@H](O)C[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903752784 584796179 /nfs/dbraw/zinc/79/61/79/584796179.db2.gz XDDBMOWBGYSVGL-GHMZBOCLSA-N 2 0 215.341 -0.373 20 0 BBADRP CN(C[C@@H](O)C[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903752985 584796188 /nfs/dbraw/zinc/79/61/88/584796188.db2.gz XDDBMOWBGYSVGL-MNOVXSKESA-N 2 0 215.341 -0.373 20 0 BBADRP CN(C[C@@H](O)C[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903752986 584796163 /nfs/dbraw/zinc/79/61/63/584796163.db2.gz XDDBMOWBGYSVGL-QWRGUYRKSA-N 2 0 215.341 -0.373 20 0 BBADRP CN(C[C@H](O)C[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903752987 584796348 /nfs/dbraw/zinc/79/63/48/584796348.db2.gz XDDBMOWBGYSVGL-WDEREUQCSA-N 2 0 215.341 -0.373 20 0 BBADRP CN(CC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760407 584797352 /nfs/dbraw/zinc/79/73/52/584797352.db2.gz HFHCYQWEWRNEGH-GHMZBOCLSA-N 2 0 213.325 -0.355 20 0 BBADRP CN(CC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760408 584797121 /nfs/dbraw/zinc/79/71/21/584797121.db2.gz HFHCYQWEWRNEGH-MNOVXSKESA-N 2 0 213.325 -0.355 20 0 BBADRP CN(CC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760409 584797164 /nfs/dbraw/zinc/79/71/64/584797164.db2.gz HFHCYQWEWRNEGH-QWRGUYRKSA-N 2 0 213.325 -0.355 20 0 BBADRP CN(CC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760410 584797388 /nfs/dbraw/zinc/79/73/88/584797388.db2.gz HFHCYQWEWRNEGH-WDEREUQCSA-N 2 0 213.325 -0.355 20 0 BBADRP [NH3+][C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[C@H]1F ZINC000903764770 584797065 /nfs/dbraw/zinc/79/70/65/584797065.db2.gz AVBDTIXNZQYYHZ-IJLUTSLNSA-N 2 0 245.342 -0.186 20 0 BBADRP [NH3+][C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[C@H]1F ZINC000903764771 584797386 /nfs/dbraw/zinc/79/73/86/584797386.db2.gz AVBDTIXNZQYYHZ-QJPTWQEYSA-N 2 0 245.342 -0.186 20 0 BBADRP [NH3+]CC12CC(C1)CN2C[C@@H](O)C[NH+]1CCCC1 ZINC000903766136 584797620 /nfs/dbraw/zinc/79/76/20/584797620.db2.gz PLDUFBVNVPHUMO-CPCZMJQVSA-N 2 0 239.363 -0.134 20 0 BBADRP [NH3+]CC12CC(C1)CN2C[C@H](O)C[NH+]1CCCC1 ZINC000903766139 584797649 /nfs/dbraw/zinc/79/76/49/584797649.db2.gz PLDUFBVNVPHUMO-OTTFEQOBSA-N 2 0 239.363 -0.134 20 0 BBADRP CC1CC(CN(CC[NH3+])C[C@H](O)CO)C1 ZINC000903768944 584797796 /nfs/dbraw/zinc/79/77/96/584797796.db2.gz VOOPUNQNMKMLDP-ILDUYXDCSA-N 2 0 216.325 -0.354 20 0 BBADRP CC1CC(CN(CC[NH3+])C[C@@H](O)CO)C1 ZINC000903768945 584798120 /nfs/dbraw/zinc/79/81/20/584798120.db2.gz VOOPUNQNMKMLDP-VQXHTEKXSA-N 2 0 216.325 -0.354 20 0 BBADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000903777895 584799866 /nfs/dbraw/zinc/79/98/66/584799866.db2.gz HDQWAXDANLZSJB-CYDGBPFRSA-N 2 0 237.347 -0.199 20 0 BBADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000903777897 584799482 /nfs/dbraw/zinc/79/94/82/584799482.db2.gz HDQWAXDANLZSJB-RVMXOQNASA-N 2 0 237.347 -0.199 20 0 BBADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000903777899 584799686 /nfs/dbraw/zinc/79/96/86/584799686.db2.gz HDQWAXDANLZSJB-WUHRBBMRSA-N 2 0 237.347 -0.199 20 0 BBADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000903777901 584799613 /nfs/dbraw/zinc/79/96/13/584799613.db2.gz HDQWAXDANLZSJB-ZDEQEGDKSA-N 2 0 237.347 -0.199 20 0 BBADRP O[C@@H](CN1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCCC1 ZINC000903778437 584799780 /nfs/dbraw/zinc/79/97/80/584799780.db2.gz NATDNHMIBGXUKW-SDDRHHMPSA-N 2 0 225.336 -0.511 20 0 BBADRP O[C@H](CN1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCCC1 ZINC000903778456 584799632 /nfs/dbraw/zinc/79/96/32/584799632.db2.gz NATDNHMIBGXUKW-SRVKXCTJSA-N 2 0 225.336 -0.511 20 0 BBADRP O[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC000903778508 584799641 /nfs/dbraw/zinc/79/96/41/584799641.db2.gz NRUJTGSHYAYKEI-TUAOUCFPSA-N 2 0 228.336 -0.196 20 0 BBADRP O[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC000903778510 584799444 /nfs/dbraw/zinc/79/94/44/584799444.db2.gz NRUJTGSHYAYKEI-UTUOFQBUSA-N 2 0 228.336 -0.196 20 0 BBADRP Cc1cnc(CN2CC[NH2+]CC[NH2+]CC2)nc1 ZINC000903786148 584800336 /nfs/dbraw/zinc/80/03/36/584800336.db2.gz FKPIPRYAFIDORP-UHFFFAOYSA-N 2 0 235.335 -0.220 20 0 BBADRP COCC(COC)N1CC[NH2+]CC[NH2+]CC1 ZINC000903786362 584800175 /nfs/dbraw/zinc/80/01/75/584800175.db2.gz HTKXGKZLNZARHQ-UHFFFAOYSA-N 2 0 231.340 -0.857 20 0 BBADRP C([C@@H]1CCCC[NH2+]C1)N1CC[NH2+]CC[NH2+]CC1 ZINC000903786534 584800318 /nfs/dbraw/zinc/80/03/18/584800318.db2.gz LJOBWJDAWYCDCU-CYBMUJFWSA-N 3 0 240.395 -0.129 20 0 BBADRP C([C@H]1CCCC[NH2+]C1)N1CC[NH2+]CC[NH2+]CC1 ZINC000903786535 584800320 /nfs/dbraw/zinc/80/03/20/584800320.db2.gz LJOBWJDAWYCDCU-ZDUSSCGKSA-N 3 0 240.395 -0.129 20 0 BBADRP Cc1cn(C)nc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000903786573 637382746 /nfs/dbraw/zinc/38/27/46/637382746.db2.gz MHOBKRUXFLRRKM-UHFFFAOYSA-N 2 0 237.351 -0.277 20 0 BBADRP Cn1ccc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000903786998 637382260 /nfs/dbraw/zinc/38/22/60/637382260.db2.gz SYVVMFDDARIXGW-UHFFFAOYSA-N 2 0 223.324 -0.585 20 0 BBADRP CN(CCOCC[NH3+])C1(C[NH3+])CCOCC1 ZINC000903808433 584803572 /nfs/dbraw/zinc/80/35/72/584803572.db2.gz KQVBZWHEVOJACI-UHFFFAOYSA-N 2 0 231.340 -0.599 20 0 BBADRP CN(CCC[NH3+])C1(C[NH3+])CCOCC1 ZINC000903808598 584803482 /nfs/dbraw/zinc/80/34/82/584803482.db2.gz OWAMVZSDXYWJOC-UHFFFAOYSA-N 2 0 201.314 -0.225 20 0 BBADRP CN(C[C@H]1C[NH2+]CCO1)C1(C[NH3+])CCOCC1 ZINC000903809543 584803288 /nfs/dbraw/zinc/80/32/88/584803288.db2.gz CZEFOVMXUMEPQK-LLVKDONJSA-N 2 0 243.351 -0.586 20 0 BBADRP CN(C[C@@H]1C[NH2+]CCO1)C1(C[NH3+])CCOCC1 ZINC000903809544 584803541 /nfs/dbraw/zinc/80/35/41/584803541.db2.gz CZEFOVMXUMEPQK-NSHDSACASA-N 2 0 243.351 -0.586 20 0 BBADRP [NH3+]CCN1CC[NH2+]CCC12CCOCC2 ZINC000903817763 584800741 /nfs/dbraw/zinc/80/07/41/584800741.db2.gz HSSSYEOWAVHEKT-UHFFFAOYSA-N 2 0 213.325 -0.210 20 0 BBADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](CCOCC[NH3+])C2 ZINC000903825643 584804688 /nfs/dbraw/zinc/80/46/88/584804688.db2.gz BVRHZWNZAUCVNM-JQWIXIFHSA-N 2 0 241.335 -0.451 20 0 BBADRP CC[N@@H+](CCC(=O)NC)CCN1CC[NH2+]CC1 ZINC000903825883 584804362 /nfs/dbraw/zinc/80/43/62/584804362.db2.gz DBCCTUDJTYVJIY-UHFFFAOYSA-N 2 0 242.367 -0.650 20 0 BBADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](CCC[NH3+])C2 ZINC000903826361 584805078 /nfs/dbraw/zinc/80/50/78/584805078.db2.gz JLLBHMKHPAWKDY-ONGXEEELSA-N 2 0 211.309 -0.077 20 0 BBADRP C[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1CS(N)(=O)=O ZINC000903826912 584805121 /nfs/dbraw/zinc/80/51/21/584805121.db2.gz NPUVZNDNGOBSGP-BDAKNGLRSA-N 2 0 235.353 -0.808 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000903826915 584804977 /nfs/dbraw/zinc/80/49/77/584804977.db2.gz NROQRKAZGJDCME-XQQFMLRXSA-N 2 0 241.379 -0.160 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000903826916 584804996 /nfs/dbraw/zinc/80/49/96/584804996.db2.gz NROQRKAZGJDCME-YNEHKIRRSA-N 2 0 241.379 -0.160 20 0 BBADRP CC[N@H+](CCC(=O)NC)C[C@](C)(O)C[NH2+]C ZINC000903827206 584805004 /nfs/dbraw/zinc/80/50/04/584805004.db2.gz QMPWWWAZYSEVNM-LLVKDONJSA-N 2 0 231.340 -0.585 20 0 BBADRP CC[N@H+](CCC(=O)NC)C[C@@](C)(O)C[NH2+]C ZINC000903827207 584804800 /nfs/dbraw/zinc/80/48/00/584804800.db2.gz QMPWWWAZYSEVNM-NSHDSACASA-N 2 0 231.340 -0.585 20 0 BBADRP CC[N@H+](CCC(=O)NC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903827425 584804983 /nfs/dbraw/zinc/80/49/83/584804983.db2.gz SGUBXYBLWSYTKS-GUBZILKMSA-N 2 0 229.324 -0.705 20 0 BBADRP C[NH2+]CCC[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000903827465 584804777 /nfs/dbraw/zinc/80/47/77/584804777.db2.gz TZLYEQPOTDGVLF-ZJUUUORDSA-N 2 0 249.380 -0.548 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCCCCNC(=O)CC1 ZINC000903829215 584805832 /nfs/dbraw/zinc/80/58/32/584805832.db2.gz BXTKEZUAFRBXSH-UHFFFAOYSA-N 2 0 243.351 -0.046 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903830019 584805392 /nfs/dbraw/zinc/80/53/92/584805392.db2.gz QNYJEEUMFMAEOS-WDEREUQCSA-N 2 0 230.308 -0.549 20 0 BBADRP CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830120 584805576 /nfs/dbraw/zinc/80/55/76/584805576.db2.gz SZVAWGNQOPAVCS-AJBSGBCOSA-N 2 0 214.309 -0.054 20 0 BBADRP CO[C@@H]1CC[C@H]1[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830121 584805543 /nfs/dbraw/zinc/80/55/43/584805543.db2.gz SZVAWGNQOPAVCS-HPENLJRUSA-N 2 0 214.309 -0.054 20 0 BBADRP CO[C@H]1CC[C@@H]1[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830122 584805810 /nfs/dbraw/zinc/80/58/10/584805810.db2.gz SZVAWGNQOPAVCS-QHZLYTNSSA-N 2 0 214.309 -0.054 20 0 BBADRP CO[C@H]1CC[C@H]1[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903830123 584805782 /nfs/dbraw/zinc/80/57/82/584805782.db2.gz SZVAWGNQOPAVCS-SSRBZLIGSA-N 2 0 214.309 -0.054 20 0 BBADRP COCC[C@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000903831580 584805943 /nfs/dbraw/zinc/80/59/43/584805943.db2.gz KBXVQPXCCRCBAA-NEPJUHHUSA-N 2 0 227.352 -0.094 20 0 BBADRP COCC[C@@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000903831581 584805942 /nfs/dbraw/zinc/80/59/42/584805942.db2.gz KBXVQPXCCRCBAA-NWDGAFQWSA-N 2 0 227.352 -0.094 20 0 BBADRP COCC[C@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000903831582 584806210 /nfs/dbraw/zinc/80/62/10/584806210.db2.gz KBXVQPXCCRCBAA-RYUDHWBXSA-N 2 0 227.352 -0.094 20 0 BBADRP COCC[C@@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000903831583 584806263 /nfs/dbraw/zinc/80/62/63/584806263.db2.gz KBXVQPXCCRCBAA-VXGBXAGGSA-N 2 0 227.352 -0.094 20 0 BBADRP COCC[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000903837740 584806775 /nfs/dbraw/zinc/80/67/75/584806775.db2.gz PHOLQVSVEKEKSA-NEPJUHHUSA-N 2 0 243.351 -0.715 20 0 BBADRP COCC[C@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000903837741 584806543 /nfs/dbraw/zinc/80/65/43/584806543.db2.gz PHOLQVSVEKEKSA-NWDGAFQWSA-N 2 0 243.351 -0.715 20 0 BBADRP COCC[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000903837742 584806833 /nfs/dbraw/zinc/80/68/33/584806833.db2.gz PHOLQVSVEKEKSA-RYUDHWBXSA-N 2 0 243.351 -0.715 20 0 BBADRP COCC[C@@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000903837743 584806516 /nfs/dbraw/zinc/80/65/16/584806516.db2.gz PHOLQVSVEKEKSA-VXGBXAGGSA-N 2 0 243.351 -0.715 20 0 BBADRP COCC[C@H]1C[NH2+]CCN1CCC[NH3+] ZINC000903837998 584806648 /nfs/dbraw/zinc/80/66/48/584806648.db2.gz UJBUVMWAMHUJSJ-JTQLQIEISA-N 2 0 201.314 -0.355 20 0 BBADRP COCC[C@@H]1C[NH2+]CCN1CCC[NH3+] ZINC000903837999 584806470 /nfs/dbraw/zinc/80/64/70/584806470.db2.gz UJBUVMWAMHUJSJ-SNVBAGLBSA-N 2 0 201.314 -0.355 20 0 BBADRP C[NH2+]CCCN1CC[NH2+]C[C@H]1CCOC ZINC000903838161 584806750 /nfs/dbraw/zinc/80/67/50/584806750.db2.gz VYEPFIXGYWOZFA-LLVKDONJSA-N 2 0 215.341 -0.094 20 0 BBADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1CCOC ZINC000903838162 584806656 /nfs/dbraw/zinc/80/66/56/584806656.db2.gz VYEPFIXGYWOZFA-NSHDSACASA-N 2 0 215.341 -0.094 20 0 BBADRP COCC[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903840681 584807247 /nfs/dbraw/zinc/80/72/47/584807247.db2.gz SSOKHPBSGWMPNZ-SDDRHHMPSA-N 2 0 245.342 -0.003 20 0 BBADRP COCC[C@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903840683 584807052 /nfs/dbraw/zinc/80/70/52/584807052.db2.gz SSOKHPBSGWMPNZ-SRVKXCTJSA-N 2 0 245.342 -0.003 20 0 BBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CNCCO1)C2 ZINC000903842695 584804592 /nfs/dbraw/zinc/80/45/92/584804592.db2.gz SEQGYRKPLIJMSC-BJDJZHNGSA-N 2 0 225.336 -0.214 20 0 BBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CNCCO1)C2 ZINC000903842696 584804426 /nfs/dbraw/zinc/80/44/26/584804426.db2.gz SEQGYRKPLIJMSC-FIQHERPVSA-N 2 0 225.336 -0.214 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CNCCO1)C2 ZINC000903842697 584804378 /nfs/dbraw/zinc/80/43/78/584804378.db2.gz SEQGYRKPLIJMSC-USZNOCQGSA-N 2 0 225.336 -0.214 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CNCCO1)C2 ZINC000903842698 584804547 /nfs/dbraw/zinc/80/45/47/584804547.db2.gz SEQGYRKPLIJMSC-WHOHXGKFSA-N 2 0 225.336 -0.214 20 0 BBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000903843500 584807608 /nfs/dbraw/zinc/80/76/08/584807608.db2.gz MCJUBWICNHZILY-AVGNSLFASA-N 3 0 238.379 -0.297 20 0 BBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000903843501 584807694 /nfs/dbraw/zinc/80/76/94/584807694.db2.gz MCJUBWICNHZILY-XQQFMLRXSA-N 3 0 238.379 -0.297 20 0 BBADRP [NH3+]CCOCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856565 584808526 /nfs/dbraw/zinc/80/85/26/584808526.db2.gz ADDUSCOZLBUMDS-GHMZBOCLSA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]CCOCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856567 584808779 /nfs/dbraw/zinc/80/87/79/584808779.db2.gz ADDUSCOZLBUMDS-MNOVXSKESA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]CCOCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856569 584809628 /nfs/dbraw/zinc/80/96/28/584809628.db2.gz ADDUSCOZLBUMDS-QWRGUYRKSA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]CCOCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856571 584808792 /nfs/dbraw/zinc/80/87/92/584808792.db2.gz ADDUSCOZLBUMDS-WDEREUQCSA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C[C@@H]1C[NH2+]CCO1 ZINC000903860048 584812624 /nfs/dbraw/zinc/81/26/24/584812624.db2.gz QESKYDOCMQDHLW-GRYCIOLGSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C[C@H]1C[NH2+]CCO1 ZINC000903860049 584812320 /nfs/dbraw/zinc/81/23/20/584812320.db2.gz QESKYDOCMQDHLW-IJLUTSLNSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@]12CC[C@H]1CCN2C[C@H]1C[NH2+]CCO1 ZINC000903860050 584811610 /nfs/dbraw/zinc/81/16/10/584811610.db2.gz QESKYDOCMQDHLW-QJPTWQEYSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@]12CC[C@H]1CCN2C[C@@H]1C[NH2+]CCO1 ZINC000903860051 584812267 /nfs/dbraw/zinc/81/22/67/584812267.db2.gz QESKYDOCMQDHLW-SDDRHHMPSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@]12CC[C@@H]1CCN2CCN1CC[NH2+]CC1 ZINC000903861476 584811971 /nfs/dbraw/zinc/81/19/71/584811971.db2.gz XVBCKOIFMDVYRE-CHWSQXEVSA-N 2 0 238.379 -0.295 20 0 BBADRP [NH3+]C[C@@]12CC[C@@H]1CCN2CCN1CC[NH2+]CC1 ZINC000903861477 584812408 /nfs/dbraw/zinc/81/24/08/584812408.db2.gz XVBCKOIFMDVYRE-OLZOCXBDSA-N 2 0 238.379 -0.295 20 0 BBADRP [NH3+]C[C@]12CC[C@H]1CCN2CCN1CC[NH2+]CC1 ZINC000903861478 584812080 /nfs/dbraw/zinc/81/20/80/584812080.db2.gz XVBCKOIFMDVYRE-QWHCGFSZSA-N 2 0 238.379 -0.295 20 0 BBADRP [NH3+]C[C@@]12CC[C@H]1CCN2CCN1CC[NH2+]CC1 ZINC000903861479 584812076 /nfs/dbraw/zinc/81/20/76/584812076.db2.gz XVBCKOIFMDVYRE-STQMWFEESA-N 2 0 238.379 -0.295 20 0 BBADRP C(CN1CC[NH2+]CC1)N1CCC[C@]12CC[NH2+]C2 ZINC000903865042 584812773 /nfs/dbraw/zinc/81/27/73/584812773.db2.gz ADMQKRRSCDTPGR-CYBMUJFWSA-N 2 0 238.379 -0.281 20 0 BBADRP C(CN1CC[NH2+]CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903865055 584813494 /nfs/dbraw/zinc/81/34/94/584813494.db2.gz ADMQKRRSCDTPGR-ZDUSSCGKSA-N 2 0 238.379 -0.281 20 0 BBADRP COC[C@@H](O)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903865115 584813319 /nfs/dbraw/zinc/81/33/19/584813319.db2.gz YCXINDUYUVPPBO-DCAQKATOSA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@@H](O)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903865120 584812841 /nfs/dbraw/zinc/81/28/41/584812841.db2.gz YCXINDUYUVPPBO-GARJFASQSA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@@H](O)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903865123 584813470 /nfs/dbraw/zinc/81/34/70/584813470.db2.gz YCXINDUYUVPPBO-OUAUKWLOSA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@@H](O)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903865127 584813356 /nfs/dbraw/zinc/81/33/56/584813356.db2.gz YCXINDUYUVPPBO-VWYCJHECSA-N 2 0 214.309 -0.193 20 0 BBADRP [NH3+]CCOCCN1CCC[C@]12CC[NH2+]C2 ZINC000903866101 637386944 /nfs/dbraw/zinc/38/69/44/637386944.db2.gz HXNOACLHVJECEZ-LLVKDONJSA-N 2 0 213.325 -0.210 20 0 BBADRP [NH3+]CCOCCN1CCC[C@@]12CC[NH2+]C2 ZINC000903866104 637386003 /nfs/dbraw/zinc/38/60/03/637386003.db2.gz HXNOACLHVJECEZ-NSHDSACASA-N 2 0 213.325 -0.210 20 0 BBADRP Cn1nnnc1CCN1CCC[C@]12CC[NH2+]C2 ZINC000903871331 584815589 /nfs/dbraw/zinc/81/55/89/584815589.db2.gz SJQAEYXRQZMOLJ-LLVKDONJSA-N 2 0 236.323 -0.420 20 0 BBADRP Cn1nnnc1CCN1CCC[C@@]12CC[NH2+]C2 ZINC000903871333 584814974 /nfs/dbraw/zinc/81/49/74/584814974.db2.gz SJQAEYXRQZMOLJ-NSHDSACASA-N 2 0 236.323 -0.420 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903871413 584815410 /nfs/dbraw/zinc/81/54/10/584815410.db2.gz UFYFAKGBAXCFAQ-NEPJUHHUSA-N 2 0 225.336 -0.197 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CCC[C@]12CC[NH2+]C2 ZINC000903871414 584815260 /nfs/dbraw/zinc/81/52/60/584815260.db2.gz UFYFAKGBAXCFAQ-NWDGAFQWSA-N 2 0 225.336 -0.197 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903871415 584815581 /nfs/dbraw/zinc/81/55/81/584815581.db2.gz UFYFAKGBAXCFAQ-RYUDHWBXSA-N 2 0 225.336 -0.197 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CCC[C@]12CC[NH2+]C2 ZINC000903871416 584815541 /nfs/dbraw/zinc/81/55/41/584815541.db2.gz UFYFAKGBAXCFAQ-VXGBXAGGSA-N 2 0 225.336 -0.197 20 0 BBADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCO)cnn1C ZINC000903872501 584815500 /nfs/dbraw/zinc/81/55/00/584815500.db2.gz FWVGLMWSVRYDBH-LLVKDONJSA-N 2 0 240.351 -0.230 20 0 BBADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCO)cnn1C ZINC000903872504 584815507 /nfs/dbraw/zinc/81/55/07/584815507.db2.gz FWVGLMWSVRYDBH-NSHDSACASA-N 2 0 240.351 -0.230 20 0 BBADRP COC[C@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903876324 584816334 /nfs/dbraw/zinc/81/63/34/584816334.db2.gz WOCLLVPGZUDTAB-GFCCVEGCSA-N 2 0 227.352 -0.094 20 0 BBADRP COC[C@@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903876325 584816339 /nfs/dbraw/zinc/81/63/39/584816339.db2.gz WOCLLVPGZUDTAB-LBPRGKRZSA-N 2 0 227.352 -0.094 20 0 BBADRP COC[C@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000903876411 584816331 /nfs/dbraw/zinc/81/63/31/584816331.db2.gz YKFDJPIUOYDQNS-GHMZBOCLSA-N 2 0 213.325 -0.484 20 0 BBADRP COC[C@@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000903876412 584816820 /nfs/dbraw/zinc/81/68/20/584816820.db2.gz YKFDJPIUOYDQNS-MNOVXSKESA-N 2 0 213.325 -0.484 20 0 BBADRP COC[C@@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000903876413 584816354 /nfs/dbraw/zinc/81/63/54/584816354.db2.gz YKFDJPIUOYDQNS-QWRGUYRKSA-N 2 0 213.325 -0.484 20 0 BBADRP COC[C@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000903876414 584816413 /nfs/dbraw/zinc/81/64/13/584816413.db2.gz YKFDJPIUOYDQNS-WDEREUQCSA-N 2 0 213.325 -0.484 20 0 BBADRP COC[C@@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000903880596 584816955 /nfs/dbraw/zinc/81/69/55/584816955.db2.gz JQHSJXHLNOUGMT-NEPJUHHUSA-N 2 0 227.352 -0.094 20 0 BBADRP COC[C@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000903880597 584817103 /nfs/dbraw/zinc/81/71/03/584817103.db2.gz JQHSJXHLNOUGMT-NWDGAFQWSA-N 2 0 227.352 -0.094 20 0 BBADRP COC[C@@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000903880598 584817177 /nfs/dbraw/zinc/81/71/77/584817177.db2.gz JQHSJXHLNOUGMT-RYUDHWBXSA-N 2 0 227.352 -0.094 20 0 BBADRP COC[C@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000903880599 584816974 /nfs/dbraw/zinc/81/69/74/584816974.db2.gz JQHSJXHLNOUGMT-VXGBXAGGSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH2+]CCCN1CC[NH2+]C[C@H]1COC ZINC000903881940 584817993 /nfs/dbraw/zinc/81/79/93/584817993.db2.gz VPQKPGUAMPUXBB-JTQLQIEISA-N 2 0 201.314 -0.484 20 0 BBADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1COC ZINC000903881941 584817858 /nfs/dbraw/zinc/81/78/58/584817858.db2.gz VPQKPGUAMPUXBB-SNVBAGLBSA-N 2 0 201.314 -0.484 20 0 BBADRP COC[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903882066 584817987 /nfs/dbraw/zinc/81/79/87/584817987.db2.gz KCJGVZVSROLOCS-GRYCIOLGSA-N 2 0 227.352 -0.238 20 0 BBADRP COC[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903882067 584817671 /nfs/dbraw/zinc/81/76/71/584817671.db2.gz KCJGVZVSROLOCS-WOPDTQHZSA-N 2 0 227.352 -0.238 20 0 BBADRP COC[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903882569 584818483 /nfs/dbraw/zinc/81/84/83/584818483.db2.gz OCFKKVYXCNUJTQ-GHMZBOCLSA-N 2 0 213.325 -0.341 20 0 BBADRP COC[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903882572 584818155 /nfs/dbraw/zinc/81/81/55/584818155.db2.gz OCFKKVYXCNUJTQ-MNOVXSKESA-N 2 0 213.325 -0.341 20 0 BBADRP CC[C@H]1C(=O)NCCC[N@H+]1CCOCC[NH3+] ZINC000903883170 584818586 /nfs/dbraw/zinc/81/85/86/584818586.db2.gz UMQWBMOLYRUXLS-JTQLQIEISA-N 2 0 229.324 -0.438 20 0 BBADRP CC[C@@H]1C(=O)NCCC[N@H+]1CCOCC[NH3+] ZINC000903883171 584818477 /nfs/dbraw/zinc/81/84/77/584818477.db2.gz UMQWBMOLYRUXLS-SNVBAGLBSA-N 2 0 229.324 -0.438 20 0 BBADRP COC[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903883715 584818610 /nfs/dbraw/zinc/81/86/10/584818610.db2.gz YKSCKGCLALEKCH-DCAQKATOSA-N 2 0 231.315 -0.393 20 0 BBADRP COC[C@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903883716 584818516 /nfs/dbraw/zinc/81/85/16/584818516.db2.gz YKSCKGCLALEKCH-GARJFASQSA-N 2 0 231.315 -0.393 20 0 BBADRP COCCN(CCO)C[C@H]([NH3+])CC(F)F ZINC000903890444 584813682 /nfs/dbraw/zinc/81/36/82/584813682.db2.gz CBQFOPCELJAJPL-MRVPVSSYSA-N 2 0 226.267 -0.090 20 0 BBADRP COCCN(CCO)C[C@@H]([NH3+])CC(F)F ZINC000903890445 584814033 /nfs/dbraw/zinc/81/40/33/584814033.db2.gz CBQFOPCELJAJPL-QMMMGPOBSA-N 2 0 226.267 -0.090 20 0 BBADRP [NH3+][C@H](CC(F)F)CN(CCO)CCCO ZINC000903893024 584819050 /nfs/dbraw/zinc/81/90/50/584819050.db2.gz OQOAWNPTJCBUBX-MRVPVSSYSA-N 2 0 226.267 -0.354 20 0 BBADRP [NH3+][C@@H](CC(F)F)CN(CCO)CCCO ZINC000903893025 584818986 /nfs/dbraw/zinc/81/89/86/584818986.db2.gz OQOAWNPTJCBUBX-QMMMGPOBSA-N 2 0 226.267 -0.354 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918474 584822254 /nfs/dbraw/zinc/82/22/54/584822254.db2.gz AAZYTECCEPUVBM-FGNRJIRKSA-N 3 0 227.352 -0.232 20 0 BBADRP C[N@H+](C[C@@H](O)C[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918475 584822639 /nfs/dbraw/zinc/82/26/39/584822639.db2.gz AAZYTECCEPUVBM-YATPEIPISA-N 3 0 227.352 -0.232 20 0 BBADRP [NH3+]CCN(CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919362 584822967 /nfs/dbraw/zinc/82/29/67/584822967.db2.gz NMRLRLNZJLYFPN-YOGCLGLASA-N 2 0 227.352 -0.230 20 0 BBADRP OC[C@@H]1C[C@H](O)C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903927106 584824322 /nfs/dbraw/zinc/82/43/22/584824322.db2.gz QCMURYUPGMNFOC-DMGDTADUSA-N 2 0 240.347 -0.056 20 0 BBADRP CN(CC[NH3+])Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903930111 584824467 /nfs/dbraw/zinc/82/44/67/584824467.db2.gz SKSUEMNIBDMFBI-JTQLQIEISA-N 2 0 238.339 -0.407 20 0 BBADRP CN(CC[NH3+])Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903930112 584824338 /nfs/dbraw/zinc/82/43/38/584824338.db2.gz SKSUEMNIBDMFBI-SNVBAGLBSA-N 2 0 238.339 -0.407 20 0 BBADRP [NH3+][C@H](CC(F)F)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000903931401 584824869 /nfs/dbraw/zinc/82/48/69/584824869.db2.gz CPNWLWIZWGUQLT-KXUCPTDWSA-N 2 0 249.305 -0.280 20 0 BBADRP [NH3+][C@@H](CC(F)F)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000903931402 584825309 /nfs/dbraw/zinc/82/53/09/584825309.db2.gz CPNWLWIZWGUQLT-LPEHRKFASA-N 2 0 249.305 -0.280 20 0 BBADRP CN(CCOCC[NH3+])C[C@H]([NH3+])CC(F)F ZINC000903934697 584825702 /nfs/dbraw/zinc/82/57/02/584825702.db2.gz IWMZCUOKPUBMQZ-MRVPVSSYSA-N 2 0 225.283 -0.124 20 0 BBADRP CN(CCOCC[NH3+])C[C@@H]([NH3+])CC(F)F ZINC000903934698 584825897 /nfs/dbraw/zinc/82/58/97/584825897.db2.gz IWMZCUOKPUBMQZ-QMMMGPOBSA-N 2 0 225.283 -0.124 20 0 BBADRP O[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903937033 584826308 /nfs/dbraw/zinc/82/63/08/584826308.db2.gz ABUJRSRSIOCIGK-LLUNPGSJSA-N 2 0 240.347 -0.056 20 0 BBADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299909 584860528 /nfs/dbraw/zinc/86/05/28/584860528.db2.gz REVRSMAVICAYCY-TXEJJXNPSA-N 3 0 226.368 -0.439 20 0 BBADRP CC(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301193 584861363 /nfs/dbraw/zinc/86/13/63/584861363.db2.gz AVSJBWMARQSJDU-PHIMTYICSA-N 2 0 211.309 -0.112 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301245 584861075 /nfs/dbraw/zinc/86/10/75/584861075.db2.gz JGBKDJSCTOQZSK-CHWFTXMASA-N 3 0 213.325 -0.228 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301267 584861296 /nfs/dbraw/zinc/86/12/96/584861296.db2.gz JGBKDJSCTOQZSK-MMWGEVLESA-N 3 0 213.325 -0.228 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301269 584861375 /nfs/dbraw/zinc/86/13/75/584861375.db2.gz JGBKDJSCTOQZSK-UKKRHICBSA-N 3 0 213.325 -0.228 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904301270 584861090 /nfs/dbraw/zinc/86/10/90/584861090.db2.gz JGBKDJSCTOQZSK-ZNSHCXBVSA-N 3 0 213.325 -0.228 20 0 BBADRP NC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904302456 584861999 /nfs/dbraw/zinc/86/19/99/584861999.db2.gz WSVYCHYXGJTIEE-BBBLOLIVSA-N 2 0 211.309 -0.079 20 0 BBADRP NC(=O)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904302457 584861809 /nfs/dbraw/zinc/86/18/09/584861809.db2.gz WSVYCHYXGJTIEE-LPEHRKFASA-N 2 0 211.309 -0.079 20 0 BBADRP COCCCNC(=O)C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305679 584862350 /nfs/dbraw/zinc/86/23/50/584862350.db2.gz SVUACDBZASTHIV-PHIMTYICSA-N 2 0 243.351 -0.192 20 0 BBADRP COCC(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904307705 584862585 /nfs/dbraw/zinc/86/25/85/584862585.db2.gz UBLBPEQGVSURSN-PHIMTYICSA-N 2 0 241.335 -0.486 20 0 BBADRP COCC[N@@H+](CC(=O)N(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309707 584862792 /nfs/dbraw/zinc/86/27/92/584862792.db2.gz PTYCSYFSTRICOU-PHIMTYICSA-N 2 0 243.351 -0.240 20 0 BBADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312457 584863478 /nfs/dbraw/zinc/86/34/78/584863478.db2.gz PZTZYRKCCVSERC-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312458 584863679 /nfs/dbraw/zinc/86/36/79/584863679.db2.gz PZTZYRKCCVSERC-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315583 584863229 /nfs/dbraw/zinc/86/32/29/584863229.db2.gz DRFYXSAPZAKOHQ-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315584 584863450 /nfs/dbraw/zinc/86/34/50/584863450.db2.gz DRFYXSAPZAKOHQ-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904315816 584863713 /nfs/dbraw/zinc/86/37/13/584863713.db2.gz HRDPFZOBJLSGIQ-AEJSXWLSSA-N 2 0 228.292 -0.403 20 0 BBADRP COC(=O)[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904315818 584863191 /nfs/dbraw/zinc/86/31/91/584863191.db2.gz HRDPFZOBJLSGIQ-KXUCPTDWSA-N 2 0 228.292 -0.403 20 0 BBADRP C[N@H+](CCN1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316111 584863446 /nfs/dbraw/zinc/86/34/46/584863446.db2.gz KJIIVUQFODVOFP-TXEJJXNPSA-N 2 0 227.352 -0.012 20 0 BBADRP COCC[N@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316389 584863163 /nfs/dbraw/zinc/86/31/63/584863163.db2.gz NOEWGCJEAOLGRN-AOOOYVTPSA-N 2 0 202.298 -0.336 20 0 BBADRP CC1(C)C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316438 584863212 /nfs/dbraw/zinc/86/32/12/584863212.db2.gz PGYAZFRYDHTJFQ-DTORHVGOSA-N 2 0 211.309 -0.066 20 0 BBADRP COCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)C(N)=O ZINC000904317892 584864233 /nfs/dbraw/zinc/86/42/33/584864233.db2.gz JFAGWOZGPIRIRZ-BBBLOLIVSA-N 2 0 229.324 -0.454 20 0 BBADRP COCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)C(N)=O ZINC000904317893 584864094 /nfs/dbraw/zinc/86/40/94/584864094.db2.gz JFAGWOZGPIRIRZ-LPEHRKFASA-N 2 0 229.324 -0.454 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCO)CCCO)C1 ZINC000904320033 584864252 /nfs/dbraw/zinc/86/42/52/584864252.db2.gz BLYIGAHLBUYLOD-AOOOYVTPSA-N 2 0 202.298 -0.600 20 0 BBADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC(C)(CO)CO ZINC000904321645 584863886 /nfs/dbraw/zinc/86/38/86/584863886.db2.gz APFYTOQYIHOGFM-AOOOYVTPSA-N 2 0 216.325 -0.354 20 0 BBADRP CNC(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904324971 584865321 /nfs/dbraw/zinc/86/53/21/584865321.db2.gz OHSHSCLJBLRTNL-AOOOYVTPSA-N 2 0 226.324 -0.319 20 0 BBADRP C[C@H](O)C(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904325392 584865458 /nfs/dbraw/zinc/86/54/58/584865458.db2.gz YDUIDWXXHXPIDF-GARJFASQSA-N 2 0 241.335 -0.751 20 0 BBADRP C[C@@H](O)C(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904325393 584865302 /nfs/dbraw/zinc/86/53/02/584865302.db2.gz YDUIDWXXHXPIDF-MXWKQRLJSA-N 2 0 241.335 -0.751 20 0 BBADRP C[C@@H]1CO[C@@H](CO)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327745 584865040 /nfs/dbraw/zinc/86/50/40/584865040.db2.gz IHKRNUUNYODXQO-CHWFTXMASA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@H]1CO[C@H](CO)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327747 584865443 /nfs/dbraw/zinc/86/54/43/584865443.db2.gz IHKRNUUNYODXQO-MMWGEVLESA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@H]1CO[C@@H](CO)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327748 584865580 /nfs/dbraw/zinc/86/55/80/584865580.db2.gz IHKRNUUNYODXQO-UKKRHICBSA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327749 584865034 /nfs/dbraw/zinc/86/50/34/584865034.db2.gz IHKRNUUNYODXQO-ZNSHCXBVSA-N 2 0 214.309 -0.195 20 0 BBADRP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904328379 584865404 /nfs/dbraw/zinc/86/54/04/584865404.db2.gz OGEODECMKSOMGT-AEJSXWLSSA-N 2 0 247.364 -0.653 20 0 BBADRP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904328387 584865487 /nfs/dbraw/zinc/86/54/87/584865487.db2.gz OGEODECMKSOMGT-KXUCPTDWSA-N 2 0 247.364 -0.653 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)NC[C@H]3C2)C1 ZINC000904328388 584865663 /nfs/dbraw/zinc/86/56/63/584865663.db2.gz OHAGNORPTUAYNM-AEJSXWLSSA-N 2 0 224.308 -0.567 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)C1 ZINC000904328394 584865316 /nfs/dbraw/zinc/86/53/16/584865316.db2.gz OHAGNORPTUAYNM-KXUCPTDWSA-N 2 0 224.308 -0.567 20 0 BBADRP CN(C)C(=O)NCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328880 584866233 /nfs/dbraw/zinc/86/62/33/584866233.db2.gz IQPTUFJKYNPFQE-AOOOYVTPSA-N 2 0 228.340 -0.073 20 0 BBADRP NS(=O)(=O)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904336862 584863621 /nfs/dbraw/zinc/86/36/21/584863621.db2.gz WNYXTAJHZFTRCL-AEJSXWLSSA-N 2 0 247.364 -0.523 20 0 BBADRP NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904336863 584863596 /nfs/dbraw/zinc/86/35/96/584863596.db2.gz WNYXTAJHZFTRCL-KXUCPTDWSA-N 2 0 247.364 -0.523 20 0 BBADRP C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338055 584863666 /nfs/dbraw/zinc/86/36/66/584863666.db2.gz LTNJJFRUWWIMGI-BBBLOLIVSA-N 2 0 211.309 -0.114 20 0 BBADRP C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338068 584863645 /nfs/dbraw/zinc/86/36/45/584863645.db2.gz LTNJJFRUWWIMGI-LPEHRKFASA-N 2 0 211.309 -0.114 20 0 BBADRP [NH3+][C@H]1C[C@@H](CN2CCN3C(=O)N=NC3C2)C1 ZINC000904340315 584866794 /nfs/dbraw/zinc/86/67/94/584866794.db2.gz HBLLWQKGKQQZDE-OCAPTIKFSA-N 2 0 223.280 -0.463 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)C1 ZINC000904341304 584867427 /nfs/dbraw/zinc/86/74/27/584867427.db2.gz NCGBFYNZWIXFNW-AEJSXWLSSA-N 2 0 225.292 -0.140 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC000904341305 584867295 /nfs/dbraw/zinc/86/72/95/584867295.db2.gz NCGBFYNZWIXFNW-KXUCPTDWSA-N 2 0 225.292 -0.140 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3CCOC[C@H]3C2)C1 ZINC000904341491 584867524 /nfs/dbraw/zinc/86/75/24/584867524.db2.gz SCZRWUOWIQOWRR-GRYCIOLGSA-N 2 0 225.336 -0.260 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3CCOC[C@@H]3C2)C1 ZINC000904341492 584867060 /nfs/dbraw/zinc/86/70/60/584867060.db2.gz SCZRWUOWIQOWRR-TUAOUCFPSA-N 2 0 225.336 -0.260 20 0 BBADRP C[C@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341748 584867298 /nfs/dbraw/zinc/86/72/98/584867298.db2.gz VJILEKLMUCKUNU-AXTSPUMRSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341762 584867559 /nfs/dbraw/zinc/86/75/59/584867559.db2.gz VJILEKLMUCKUNU-DOLQZWNJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341763 584867117 /nfs/dbraw/zinc/86/71/17/584867117.db2.gz VJILEKLMUCKUNU-IMSYWVGJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@H]1CCNC(=O)[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341764 584867558 /nfs/dbraw/zinc/86/75/58/584867558.db2.gz VJILEKLMUCKUNU-QEYWKRMJSA-N 2 0 211.309 -0.162 20 0 BBADRP C[C@]1(C(N)=O)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342991 584867166 /nfs/dbraw/zinc/86/71/66/584867166.db2.gz QEGJQZUUYZAGOI-NGZCFLSTSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342992 584867907 /nfs/dbraw/zinc/86/79/07/584867907.db2.gz QEGJQZUUYZAGOI-WCABBAIRSA-N 2 0 211.309 -0.079 20 0 BBADRP C[N@H+](CCOCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343830 584867752 /nfs/dbraw/zinc/86/77/52/584867752.db2.gz XWUUVGSSKFATBH-AOOOYVTPSA-N 2 0 202.298 -0.336 20 0 BBADRP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345231 584868108 /nfs/dbraw/zinc/86/81/08/584868108.db2.gz AXLHICJWVTZEEC-LMLFDSFASA-N 2 0 242.319 -0.278 20 0 BBADRP COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345232 584868239 /nfs/dbraw/zinc/86/82/39/584868239.db2.gz AXLHICJWVTZEEC-VLEAKVRGSA-N 2 0 242.319 -0.278 20 0 BBADRP COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345233 584868297 /nfs/dbraw/zinc/86/82/97/584868297.db2.gz AXLHICJWVTZEEC-YTWAJWBKSA-N 2 0 242.319 -0.278 20 0 BBADRP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345234 584868197 /nfs/dbraw/zinc/86/81/97/584868197.db2.gz AXLHICJWVTZEEC-ZRUFSTJUSA-N 2 0 242.319 -0.278 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](CO)O1 ZINC000904345285 584868491 /nfs/dbraw/zinc/86/84/91/584868491.db2.gz CGTIXFMREICFFH-CHWFTXMASA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](CO)O1 ZINC000904345286 584868508 /nfs/dbraw/zinc/86/85/08/584868508.db2.gz CGTIXFMREICFFH-MMWGEVLESA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](CO)O1 ZINC000904345287 584868173 /nfs/dbraw/zinc/86/81/73/584868173.db2.gz CGTIXFMREICFFH-UKKRHICBSA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](CO)O1 ZINC000904345288 584868253 /nfs/dbraw/zinc/86/82/53/584868253.db2.gz CGTIXFMREICFFH-ZNSHCXBVSA-N 2 0 214.309 -0.195 20 0 BBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349639 584868971 /nfs/dbraw/zinc/86/89/71/584868971.db2.gz CDLBTQGRKQCCSN-AXFHLTTASA-N 2 0 241.335 -0.439 20 0 BBADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349641 584869098 /nfs/dbraw/zinc/86/90/98/584869098.db2.gz CDLBTQGRKQCCSN-OUAUKWLOSA-N 2 0 241.335 -0.439 20 0 BBADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCNC1=O ZINC000904349999 584869178 /nfs/dbraw/zinc/86/91/78/584869178.db2.gz GCYINMYNNANHPW-AEJSXWLSSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCNC1=O ZINC000904350000 584869123 /nfs/dbraw/zinc/86/91/23/584869123.db2.gz GCYINMYNNANHPW-KXUCPTDWSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000904350096 584868850 /nfs/dbraw/zinc/86/88/50/584868850.db2.gz HWSDUFQPDWCPRL-TXEJJXNPSA-N 3 0 226.368 -0.391 20 0 BBADRP [NH3+]CC1CC([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000904350501 584869070 /nfs/dbraw/zinc/86/90/70/584869070.db2.gz NKMIGUPAOMCAGU-UHFFFAOYSA-N 3 0 226.368 -0.391 20 0 BBADRP CC(C)[C@H]([NH3+])C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350864 584869387 /nfs/dbraw/zinc/86/93/87/584869387.db2.gz RDFSUZSDRLCQRS-GFCCVEGCSA-N 3 0 228.384 -0.018 20 0 BBADRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350865 584869462 /nfs/dbraw/zinc/86/94/62/584869462.db2.gz RDFSUZSDRLCQRS-LBPRGKRZSA-N 3 0 228.384 -0.018 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)C1 ZINC000904351531 584869537 /nfs/dbraw/zinc/86/95/37/584869537.db2.gz XOKMSCJZNHEOSC-DTIDVZRVSA-N 2 0 212.293 -0.177 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCN2CC[NH2+]CC2)C1 ZINC000904352975 584869866 /nfs/dbraw/zinc/86/98/66/584869866.db2.gz FBHNOMKYICWRBN-PHIMTYICSA-N 3 0 212.341 -0.782 20 0 BBADRP CC[NH2+]CCNC1CCN(CC[NH3+])CC1 ZINC000904352976 584870055 /nfs/dbraw/zinc/87/00/55/584870055.db2.gz FBUBNWHJHGBGHZ-UHFFFAOYSA-N 2 0 214.357 -0.391 20 0 BBADRP COCCNCC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904352990 584869884 /nfs/dbraw/zinc/86/98/84/584869884.db2.gz FOTLWQAJHXMFDY-AOOOYVTPSA-N 3 0 201.314 -0.451 20 0 BBADRP COCCNCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904353226 584869971 /nfs/dbraw/zinc/86/99/71/584869971.db2.gz JJUQRBIQOZIEOK-UHFFFAOYSA-N 3 0 244.383 -0.765 20 0 BBADRP [NH3+]CCN1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000904353246 584869877 /nfs/dbraw/zinc/86/98/77/584869877.db2.gz JTJASMKXXORBRF-GFCCVEGCSA-N 3 0 240.395 -0.001 20 0 BBADRP [NH3+]CCN1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000904353247 584869887 /nfs/dbraw/zinc/86/98/87/584869887.db2.gz JTJASMKXXORBRF-LBPRGKRZSA-N 3 0 240.395 -0.001 20 0 BBADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000904353419 584870021 /nfs/dbraw/zinc/87/00/21/584870021.db2.gz MBMLHLIZRWPYBQ-GFCCVEGCSA-N 3 0 226.368 -0.249 20 0 BBADRP [NH3+]CCN1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000904353420 584869936 /nfs/dbraw/zinc/86/99/36/584869936.db2.gz MBMLHLIZRWPYBQ-LBPRGKRZSA-N 3 0 226.368 -0.249 20 0 BBADRP C[NH2+]CCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904353433 584870006 /nfs/dbraw/zinc/87/00/06/584870006.db2.gz MQHJWJQHRFHVMK-UHFFFAOYSA-N 3 0 214.357 -0.391 20 0 BBADRP [NH3+]CCN1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000904353572 584869977 /nfs/dbraw/zinc/86/99/77/584869977.db2.gz NNOFQHZSRWZKPB-GFCCVEGCSA-N 2 0 226.368 -0.249 20 0 BBADRP [NH3+]CCN1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000904353573 584869888 /nfs/dbraw/zinc/86/98/88/584869888.db2.gz NNOFQHZSRWZKPB-LBPRGKRZSA-N 2 0 226.368 -0.249 20 0 BBADRP [NH3+]CCN1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000904354031 584870163 /nfs/dbraw/zinc/87/01/63/584870163.db2.gz UOCDJNXBQNKGAJ-GFCCVEGCSA-N 3 0 240.395 -0.001 20 0 BBADRP [NH3+]CCN1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000904354032 584870233 /nfs/dbraw/zinc/87/02/33/584870233.db2.gz UOCDJNXBQNKGAJ-LBPRGKRZSA-N 3 0 240.395 -0.001 20 0 BBADRP [NH3+]CC1CC([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000904354060 584870289 /nfs/dbraw/zinc/87/02/89/584870289.db2.gz VKOMDVUBLPOTCH-UHFFFAOYSA-N 3 0 212.341 -0.782 20 0 BBADRP C[C@@]1(C[NH2+]CCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904354428 584870378 /nfs/dbraw/zinc/87/03/78/584870378.db2.gz YAGHGHMTQFTLRH-CYBMUJFWSA-N 3 0 240.395 -0.129 20 0 BBADRP C[C@]1(C[NH2+]CCN2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904354429 584870349 /nfs/dbraw/zinc/87/03/49/584870349.db2.gz YAGHGHMTQFTLRH-ZDUSSCGKSA-N 3 0 240.395 -0.129 20 0 BBADRP COCCNCC[NH2+]C1CC(C[NH3+])C1 ZINC000904354458 584870527 /nfs/dbraw/zinc/87/05/27/584870527.db2.gz YXSWLTDCBRBZCV-UHFFFAOYSA-N 2 0 201.314 -0.451 20 0 BBADRP C[NH2+]CCNCc1ccc(N2CC[NH2+]CC2)o1 ZINC000904354466 584870267 /nfs/dbraw/zinc/87/02/67/584870267.db2.gz ZEMSXWYTBDNRDW-UHFFFAOYSA-N 2 0 238.335 -0.002 20 0 BBADRP C[C@@]1(CN(CC[NH3+])CCO)CCC[NH2+]C1 ZINC000904355189 584870985 /nfs/dbraw/zinc/87/09/85/584870985.db2.gz LLWDHKUHERBYQN-LLVKDONJSA-N 2 0 215.341 -0.371 20 0 BBADRP C[C@]1(CN(CC[NH3+])CCO)CCC[NH2+]C1 ZINC000904355193 584871025 /nfs/dbraw/zinc/87/10/25/584871025.db2.gz LLWDHKUHERBYQN-NSHDSACASA-N 2 0 215.341 -0.371 20 0 BBADRP [NH3+]CCN(CCO)Cc1ccc(C[NH3+])cc1 ZINC000904355309 584870673 /nfs/dbraw/zinc/87/06/73/584870673.db2.gz MMJRIKSFOMWVIZ-UHFFFAOYSA-N 2 0 223.320 -0.102 20 0 BBADRP CC[NH2+][C@H](C)C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904355428 584870682 /nfs/dbraw/zinc/87/06/82/584870682.db2.gz NQOBTDNGZHXERM-LLVKDONJSA-N 3 0 228.384 -0.003 20 0 BBADRP [NH3+]CCN1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000904355582 584871494 /nfs/dbraw/zinc/87/14/94/584871494.db2.gz UJMFERFXGCCFMK-JQWIXIFHSA-N 2 0 244.358 -0.301 20 0 BBADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356075 584871311 /nfs/dbraw/zinc/87/13/11/584871311.db2.gz SSULMQFDBFLZQR-AAEUAGOBSA-N 3 0 240.395 -0.003 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356076 584871305 /nfs/dbraw/zinc/87/13/05/584871305.db2.gz SSULMQFDBFLZQR-DGCLKSJQSA-N 3 0 240.395 -0.003 20 0 BBADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356077 584871242 /nfs/dbraw/zinc/87/12/42/584871242.db2.gz SSULMQFDBFLZQR-WCQYABFASA-N 3 0 240.395 -0.003 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356078 584871396 /nfs/dbraw/zinc/87/13/96/584871396.db2.gz SSULMQFDBFLZQR-YPMHNXCESA-N 3 0 240.395 -0.003 20 0 BBADRP [NH3+]CCN1CCC([NH2+]CC2([NH3+])CCC2)CC1 ZINC000904356301 584871302 /nfs/dbraw/zinc/87/13/02/584871302.db2.gz VLLUZCWYDLSXBG-UHFFFAOYSA-N 3 0 226.368 -0.120 20 0 BBADRP C[C@H]1CCNC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356754 584871125 /nfs/dbraw/zinc/87/11/25/584871125.db2.gz ZTURNCQCMJXNHN-AAEUAGOBSA-N 2 0 240.395 -0.003 20 0 BBADRP C[C@@H]1CCNC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356755 584871086 /nfs/dbraw/zinc/87/10/86/584871086.db2.gz ZTURNCQCMJXNHN-DGCLKSJQSA-N 2 0 240.395 -0.003 20 0 BBADRP C[C@H]1CCNC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356756 584871258 /nfs/dbraw/zinc/87/12/58/584871258.db2.gz ZTURNCQCMJXNHN-WCQYABFASA-N 2 0 240.395 -0.003 20 0 BBADRP C[C@@H]1CCNC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356757 584871411 /nfs/dbraw/zinc/87/14/11/584871411.db2.gz ZTURNCQCMJXNHN-YPMHNXCESA-N 2 0 240.395 -0.003 20 0 BBADRP CN(Cc1ccc(C[NH3+])cc1)C[C@H](O)C[NH3+] ZINC000904357888 584871934 /nfs/dbraw/zinc/87/19/34/584871934.db2.gz DHPVBZKHULWFCC-GFCCVEGCSA-N 2 0 223.320 -0.103 20 0 BBADRP CN(Cc1ccc(C[NH3+])cc1)C[C@@H](O)C[NH3+] ZINC000904357889 584872456 /nfs/dbraw/zinc/87/24/56/584872456.db2.gz DHPVBZKHULWFCC-LBPRGKRZSA-N 2 0 223.320 -0.103 20 0 BBADRP CN(C[C@H](O)C[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904358140 584872330 /nfs/dbraw/zinc/87/23/30/584872330.db2.gz IJQHAPACUAWCDX-GHMZBOCLSA-N 2 0 215.341 -0.373 20 0 BBADRP CN(C[C@H](O)C[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904358141 584872313 /nfs/dbraw/zinc/87/23/13/584872313.db2.gz IJQHAPACUAWCDX-MNOVXSKESA-N 2 0 215.341 -0.373 20 0 BBADRP CN(C[C@@H](O)C[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904358142 584872288 /nfs/dbraw/zinc/87/22/88/584872288.db2.gz IJQHAPACUAWCDX-QWRGUYRKSA-N 2 0 215.341 -0.373 20 0 BBADRP CN(C[C@@H](O)C[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904358143 584872297 /nfs/dbraw/zinc/87/22/97/584872297.db2.gz IJQHAPACUAWCDX-WDEREUQCSA-N 2 0 215.341 -0.373 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000904359001 584872299 /nfs/dbraw/zinc/87/22/99/584872299.db2.gz CCPLXZUROXOXRY-KNVOCYPGSA-N 2 0 239.241 -0.008 20 0 BBADRP [NH3+]CC1CC([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000904359319 584871744 /nfs/dbraw/zinc/87/17/44/584871744.db2.gz JQWCDZICYNASPY-UHFFFAOYSA-N 2 0 239.241 -0.008 20 0 BBADRP CCS(=O)(=O)NCCC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904362887 584874407 /nfs/dbraw/zinc/87/44/07/584874407.db2.gz UQGAMJHZMPUSSW-AOOOYVTPSA-N 2 0 249.380 -0.357 20 0 BBADRP CCS(=O)(=O)NCCC[NH2+]C1CC(C[NH3+])C1 ZINC000904363260 584874608 /nfs/dbraw/zinc/87/46/08/584874608.db2.gz ZQPQSDHDMCCJHP-UHFFFAOYSA-N 2 0 249.380 -0.357 20 0 BBADRP Cn1nccc1C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904364514 584874420 /nfs/dbraw/zinc/87/44/20/584874420.db2.gz YLCUMGPUIDJBLU-UHFFFAOYSA-N 2 0 237.351 -0.067 20 0 BBADRP [NH3+]CCN1CCC([NH2+]CCn2ccnc2)CC1 ZINC000904365293 584875041 /nfs/dbraw/zinc/87/50/41/584875041.db2.gz YMSAVFZUMIIVON-UHFFFAOYSA-N 2 0 237.351 -0.104 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC000904367479 584872885 /nfs/dbraw/zinc/87/28/85/584872885.db2.gz CFUADHHWNILJMT-AOOOYVTPSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]CC1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC000904367938 584872714 /nfs/dbraw/zinc/87/27/14/584872714.db2.gz KTRQQQKISAZPRV-UHFFFAOYSA-N 2 0 211.309 -0.161 20 0 BBADRP COC(=O)[C@@H](C)NC1CCN(CC[NH3+])CC1 ZINC000904369327 584873203 /nfs/dbraw/zinc/87/32/03/584873203.db2.gz SYVAXOLHFNHQAQ-SECBINFHSA-N 2 0 229.324 -0.439 20 0 BBADRP C[C@]1(CNC[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000904370532 584873447 /nfs/dbraw/zinc/87/34/47/584873447.db2.gz AAPNURWELFKEOW-NEPJUHHUSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@]1(CNC[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000904370533 584873390 /nfs/dbraw/zinc/87/33/90/584873390.db2.gz AAPNURWELFKEOW-NWDGAFQWSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@]1(CNC[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000904370534 584873065 /nfs/dbraw/zinc/87/30/65/584873065.db2.gz AAPNURWELFKEOW-RYUDHWBXSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@]1(CNC[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000904370535 584873232 /nfs/dbraw/zinc/87/32/32/584873232.db2.gz AAPNURWELFKEOW-VXGBXAGGSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@H](O)[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373545 584873721 /nfs/dbraw/zinc/87/37/21/584873721.db2.gz SYANCRAFJSVRQB-CHWFTXMASA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@H](O)[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373546 584874030 /nfs/dbraw/zinc/87/40/30/584874030.db2.gz SYANCRAFJSVRQB-MMWGEVLESA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@H](O)[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373547 584873745 /nfs/dbraw/zinc/87/37/45/584873745.db2.gz SYANCRAFJSVRQB-UKKRHICBSA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@@H](O)[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904373548 584873944 /nfs/dbraw/zinc/87/39/44/584873944.db2.gz SYANCRAFJSVRQB-ZNSHCXBVSA-N 2 0 214.309 -0.195 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000904376215 584876420 /nfs/dbraw/zinc/87/64/20/584876420.db2.gz MTUCEQYBHHPUOD-WHOHXGKFSA-N 2 0 225.336 -0.526 20 0 BBADRP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000904376444 584876133 /nfs/dbraw/zinc/87/61/33/584876133.db2.gz SINVLGNZYUBTJY-MMWGEVLESA-N 2 0 242.319 -0.014 20 0 BBADRP C[NH2+]C[C@H](C)NC1CCN(CC[NH3+])CC1 ZINC000904378679 584875826 /nfs/dbraw/zinc/87/58/26/584875826.db2.gz IBOTZIVGACUDNB-JTQLQIEISA-N 2 0 214.357 -0.393 20 0 BBADRP C[NH2+]C[C@@H](C)NC1CCN(CC[NH3+])CC1 ZINC000904378680 584876007 /nfs/dbraw/zinc/87/60/07/584876007.db2.gz IBOTZIVGACUDNB-SNVBAGLBSA-N 2 0 214.357 -0.393 20 0 BBADRP [NH3+]CCN1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000904379019 584876613 /nfs/dbraw/zinc/87/66/13/584876613.db2.gz PLHNFRYXVGHFAE-UHFFFAOYSA-N 3 0 238.379 -0.249 20 0 BBADRP CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCC1=O ZINC000904379726 584876662 /nfs/dbraw/zinc/87/66/62/584876662.db2.gz VOPLMCQXWJARFV-AOOOYVTPSA-N 2 0 211.309 -0.112 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N)nn1 ZINC000904380092 584876689 /nfs/dbraw/zinc/87/66/89/584876689.db2.gz HFPRHXFILKMVCG-UHFFFAOYSA-N 2 0 239.323 -0.273 20 0 BBADRP [NH3+]CCCOCC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904380330 584876759 /nfs/dbraw/zinc/87/67/59/584876759.db2.gz ALLQJOJSOVMRRP-AOOOYVTPSA-N 3 0 201.314 -0.321 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904380924 584876605 /nfs/dbraw/zinc/87/66/05/584876605.db2.gz QGOLFSQRJVRSEI-PHIMTYICSA-N 3 0 215.341 -0.109 20 0 BBADRP C[C@]1(C[NH2+]C[C@@H]2COCCN2)CCC[NH2+]C1 ZINC000904381244 584876561 /nfs/dbraw/zinc/87/65/61/584876561.db2.gz LZELVWLAHSCJCW-NEPJUHHUSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@]1(C[NH2+]C[C@H]2COCCN2)CCC[NH2+]C1 ZINC000904381246 584876764 /nfs/dbraw/zinc/87/67/64/584876764.db2.gz LZELVWLAHSCJCW-NWDGAFQWSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@]1(C[NH2+]C[C@H]2COCCN2)CCC[NH2+]C1 ZINC000904381248 584876741 /nfs/dbraw/zinc/87/67/41/584876741.db2.gz LZELVWLAHSCJCW-RYUDHWBXSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@]1(C[NH2+]C[C@@H]2COCCN2)CCC[NH2+]C1 ZINC000904381249 584876915 /nfs/dbraw/zinc/87/69/15/584876915.db2.gz LZELVWLAHSCJCW-VXGBXAGGSA-N 2 0 227.352 -0.046 20 0 BBADRP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000904381284 584876746 /nfs/dbraw/zinc/87/67/46/584876746.db2.gz SINVLGNZYUBTJY-ZNSHCXBVSA-N 2 0 242.319 -0.014 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@H]1C[C@@H]([NH3+])C1 ZINC000904381380 584876724 /nfs/dbraw/zinc/87/67/24/584876724.db2.gz MQKTUZATSMOXFE-AOOOYVTPSA-N 3 0 201.314 -0.369 20 0 BBADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3nccnn3)CC2)C1 ZINC000904381504 584877455 /nfs/dbraw/zinc/87/74/55/584877455.db2.gz WTSBIEAOXQFLNX-PHIMTYICSA-N 2 0 248.334 -0.269 20 0 BBADRP [NH3+]CCCOCC[NH2+]C1CC(C[NH3+])C1 ZINC000904381901 584877294 /nfs/dbraw/zinc/87/72/94/584877294.db2.gz XLFWRKUXLYLXIX-UHFFFAOYSA-N 3 0 201.314 -0.321 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NC1CCN(CC[NH3+])CC1 ZINC000904381990 584877059 /nfs/dbraw/zinc/87/70/59/584877059.db2.gz ZUZYDJZRSNUCRT-CMPLNLGQSA-N 2 0 226.368 -0.251 20 0 BBADRP CN1C(=O)[C@H]2C[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@H]2C1=O ZINC000904383945 584877237 /nfs/dbraw/zinc/87/72/37/584877237.db2.gz DRPIWFUAWNEJKD-YNFQOJQRSA-N 2 0 237.303 -0.730 20 0 BBADRP C[C@@]1(CN2CC[C@@H](O)[C@@H](O)C2)CCC[NH2+]C1 ZINC000904385367 584877869 /nfs/dbraw/zinc/87/78/69/584877869.db2.gz WSFGUGWDAFILQZ-GRYCIOLGSA-N 2 0 228.336 -0.196 20 0 BBADRP C[C@]1(CN2CC[C@@H](O)[C@@H](O)C2)CCC[NH2+]C1 ZINC000904385368 584878155 /nfs/dbraw/zinc/87/81/55/584878155.db2.gz WSFGUGWDAFILQZ-WOPDTQHZSA-N 2 0 228.336 -0.196 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904388610 584874624 /nfs/dbraw/zinc/87/46/24/584874624.db2.gz LYJHELCSRVAZJS-NEPJUHHUSA-N 3 0 240.395 -0.145 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1NC1CCN(CC[NH3+])CC1 ZINC000904389050 584874989 /nfs/dbraw/zinc/87/49/89/584874989.db2.gz ROIPDUIFHBFWGA-ZYHUDNBSSA-N 2 0 226.368 -0.393 20 0 BBADRP CC(C)(CNS(C)(=O)=O)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904389246 584875481 /nfs/dbraw/zinc/87/54/81/584875481.db2.gz VJUZLXVNXKNDEC-DTORHVGOSA-N 2 0 249.380 -0.359 20 0 BBADRP CC(C)(C)[NH2+]CCN1CC[NH2+]CC[NH2+]CC1 ZINC000904395783 584875407 /nfs/dbraw/zinc/87/54/07/584875407.db2.gz DCDSGJNSMCMQMP-UHFFFAOYSA-N 3 0 228.384 -0.131 20 0 BBADRP C[C@@]1(CN2CC[NH2+]CC[NH2+]CC2)CC[NH2+]C1 ZINC000904395830 584875479 /nfs/dbraw/zinc/87/54/79/584875479.db2.gz GZFVVUFJJBPVSZ-GFCCVEGCSA-N 3 0 226.368 -0.519 20 0 BBADRP C[C@]1(CN2CC[NH2+]CC[NH2+]CC2)CC[NH2+]C1 ZINC000904395831 584875639 /nfs/dbraw/zinc/87/56/39/584875639.db2.gz GZFVVUFJJBPVSZ-LBPRGKRZSA-N 3 0 226.368 -0.519 20 0 BBADRP Nc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000904395944 584875382 /nfs/dbraw/zinc/87/53/82/584875382.db2.gz AAFQOZUYAYOHPE-UHFFFAOYSA-N 2 0 235.335 -0.341 20 0 BBADRP CC(C)[C@H](C[NH3+])CN1CC[NH2+]CC[NH2+]CC1 ZINC000904395997 584875689 /nfs/dbraw/zinc/87/56/89/584875689.db2.gz IWIVZBANEDVKLB-GFCCVEGCSA-N 3 0 228.384 -0.288 20 0 BBADRP CC(C)[C@@H](C[NH3+])CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396005 584875257 /nfs/dbraw/zinc/87/52/57/584875257.db2.gz IWIVZBANEDVKLB-LBPRGKRZSA-N 3 0 228.384 -0.288 20 0 BBADRP CC(C)([NH3+])CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396059 584875759 /nfs/dbraw/zinc/87/57/59/584875759.db2.gz CRIMBOJIPPNGJN-UHFFFAOYSA-N 3 0 200.330 -0.782 20 0 BBADRP FC1(CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC000904396280 584875581 /nfs/dbraw/zinc/87/55/81/584875581.db2.gz FELFVVOJDDKMKB-UHFFFAOYSA-N 2 0 201.289 -0.017 20 0 BBADRP CCn1nccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396550 584875195 /nfs/dbraw/zinc/87/51/95/584875195.db2.gz KRTKBZJYGYTNEP-UHFFFAOYSA-N 2 0 237.351 -0.102 20 0 BBADRP C[C@@H]1C[C@H](C[NH+]2CCNCCNCC2)CC[NH2+]1 ZINC000904396667 584875607 /nfs/dbraw/zinc/87/56/07/584875607.db2.gz UTGVCDMZIAQAFB-CHWSQXEVSA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@@H]1C[C@@H](C[NH+]2CCNCCNCC2)CC[NH2+]1 ZINC000904396669 584875561 /nfs/dbraw/zinc/87/55/61/584875561.db2.gz UTGVCDMZIAQAFB-OLZOCXBDSA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@H]1C[C@H](C[NH+]2CCNCCNCC2)CC[NH2+]1 ZINC000904396671 584875297 /nfs/dbraw/zinc/87/52/97/584875297.db2.gz UTGVCDMZIAQAFB-QWHCGFSZSA-N 2 0 240.395 -0.131 20 0 BBADRP C[C@H]1C[C@@H](C[NH+]2CCNCCNCC2)CC[NH2+]1 ZINC000904396672 584875496 /nfs/dbraw/zinc/87/54/96/584875496.db2.gz UTGVCDMZIAQAFB-STQMWFEESA-N 2 0 240.395 -0.131 20 0 BBADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396801 584875625 /nfs/dbraw/zinc/87/56/25/584875625.db2.gz VZHDOFHGFVTGSD-GFCCVEGCSA-N 3 0 228.384 -0.145 20 0 BBADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396802 584875283 /nfs/dbraw/zinc/87/52/83/584875283.db2.gz VZHDOFHGFVTGSD-LBPRGKRZSA-N 3 0 228.384 -0.145 20 0 BBADRP C[C@@]1(CN2CC[NH2+]CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904396809 584875703 /nfs/dbraw/zinc/87/57/03/584875703.db2.gz WGOCNOIHQXHUHD-CYBMUJFWSA-N 3 0 240.395 -0.129 20 0 BBADRP C[C@]1(CN2CC[NH2+]CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904396810 584875420 /nfs/dbraw/zinc/87/54/20/584875420.db2.gz WGOCNOIHQXHUHD-ZDUSSCGKSA-N 3 0 240.395 -0.129 20 0 BBADRP Cc1nn(C)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396820 584875360 /nfs/dbraw/zinc/87/53/60/584875360.db2.gz RGADQVIQXFIIIB-UHFFFAOYSA-N 2 0 237.351 -0.277 20 0 BBADRP Nc1ncc(CN2CC[NH2+]CC[NH2+]CC2)s1 ZINC000904396851 584875455 /nfs/dbraw/zinc/87/54/55/584875455.db2.gz XHVXZTQKFIJDAF-UHFFFAOYSA-N 2 0 241.364 -0.280 20 0 BBADRP [NH3+]CC1(CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC000904396866 584875525 /nfs/dbraw/zinc/87/55/25/584875525.db2.gz XSFYWCXFRMKURH-UHFFFAOYSA-N 3 0 212.341 -0.780 20 0 BBADRP CCn1ccnc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397144 584880312 /nfs/dbraw/zinc/88/03/12/584880312.db2.gz AKLXZSHIKBOTTJ-UHFFFAOYSA-N 2 0 237.351 -0.102 20 0 BBADRP CCn1cc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000904397272 584880291 /nfs/dbraw/zinc/88/02/91/584880291.db2.gz CIGSSFHSIUTOLT-UHFFFAOYSA-N 2 0 237.351 -0.102 20 0 BBADRP Cc1n[nH]cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397869 584880616 /nfs/dbraw/zinc/88/06/16/584880616.db2.gz JFAHGJAPZOOWMT-UHFFFAOYSA-N 2 0 223.324 -0.287 20 0 BBADRP CC(C)([NH3+])CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904402534 584878596 /nfs/dbraw/zinc/87/85/96/584878596.db2.gz RGJXRMOFYAXMSM-JTQLQIEISA-N 2 0 201.314 -0.491 20 0 BBADRP CC(C)([NH3+])CN1CCC[C@]([NH3+])(CO)C1 ZINC000904402535 584878747 /nfs/dbraw/zinc/87/87/47/584878747.db2.gz RGJXRMOFYAXMSM-SNVBAGLBSA-N 2 0 201.314 -0.491 20 0 BBADRP [NH3+][C@]1(CO)CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000904406282 584878656 /nfs/dbraw/zinc/87/86/56/584878656.db2.gz DXFSKHDKCYSYOU-GRYCIOLGSA-N 2 0 225.336 -0.619 20 0 BBADRP [NH3+][C@]1(CO)CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000904406284 584878480 /nfs/dbraw/zinc/87/84/80/584878480.db2.gz DXFSKHDKCYSYOU-QJPTWQEYSA-N 2 0 225.336 -0.619 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000904406838 584878476 /nfs/dbraw/zinc/87/84/76/584878476.db2.gz JJSOBBWVEAZQPV-CXQJBGSLSA-N 2 0 225.336 -0.476 20 0 BBADRP [NH3+][C@]1(CO)CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000904406839 584878670 /nfs/dbraw/zinc/87/86/70/584878670.db2.gz JJSOBBWVEAZQPV-MOENNCHZSA-N 2 0 225.336 -0.476 20 0 BBADRP [NH3+]CC1(CN2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000904406878 584878646 /nfs/dbraw/zinc/87/86/46/584878646.db2.gz KOLSZQREKIJVSI-LLVKDONJSA-N 2 0 213.325 -0.489 20 0 BBADRP [NH3+]CC1(CN2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000904406879 584878273 /nfs/dbraw/zinc/87/82/73/584878273.db2.gz KOLSZQREKIJVSI-NSHDSACASA-N 2 0 213.325 -0.489 20 0 BBADRP [NH3+][C@H](CC(F)F)CN1CCC[C@]([NH3+])(CO)C1 ZINC000904406880 584878615 /nfs/dbraw/zinc/87/86/15/584878615.db2.gz KSVSSXPJIAKRRY-PSASIEDQSA-N 2 0 237.294 -0.246 20 0 BBADRP [NH3+][C@H](CC(F)F)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904406881 584878660 /nfs/dbraw/zinc/87/86/60/584878660.db2.gz KSVSSXPJIAKRRY-SCZZXKLOSA-N 2 0 237.294 -0.246 20 0 BBADRP [NH3+][C@@H](CC(F)F)CN1CCC[C@]([NH3+])(CO)C1 ZINC000904406882 584878306 /nfs/dbraw/zinc/87/83/06/584878306.db2.gz KSVSSXPJIAKRRY-WCBMZHEXSA-N 2 0 237.294 -0.246 20 0 BBADRP [NH3+][C@@H](CC(F)F)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904406883 584878313 /nfs/dbraw/zinc/87/83/13/584878313.db2.gz KSVSSXPJIAKRRY-WPRPVWTQSA-N 2 0 237.294 -0.246 20 0 BBADRP C[C@@]1(CN2CCC[C@@]([NH3+])(CO)C2)CC[NH2+]C1 ZINC000904407211 584879053 /nfs/dbraw/zinc/87/90/53/584879053.db2.gz QNFSIMRGEUKGMU-NEPJUHHUSA-N 2 0 227.352 -0.228 20 0 BBADRP C[C@]1(CN2CCC[C@]([NH3+])(CO)C2)CC[NH2+]C1 ZINC000904407212 584879260 /nfs/dbraw/zinc/87/92/60/584879260.db2.gz QNFSIMRGEUKGMU-NWDGAFQWSA-N 2 0 227.352 -0.228 20 0 BBADRP C[C@]1(CN2CCC[C@@]([NH3+])(CO)C2)CC[NH2+]C1 ZINC000904407213 584879300 /nfs/dbraw/zinc/87/93/00/584879300.db2.gz QNFSIMRGEUKGMU-RYUDHWBXSA-N 2 0 227.352 -0.228 20 0 BBADRP C[C@@]1(CN2CCC[C@]([NH3+])(CO)C2)CC[NH2+]C1 ZINC000904407214 584879308 /nfs/dbraw/zinc/87/93/08/584879308.db2.gz QNFSIMRGEUKGMU-VXGBXAGGSA-N 2 0 227.352 -0.228 20 0 BBADRP N[C@@]1(CO)CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904407316 584879362 /nfs/dbraw/zinc/87/93/62/584879362.db2.gz TWORDWBMWAVMFG-AXFHLTTASA-N 2 0 213.325 -0.491 20 0 BBADRP N[C@]1(CO)CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904407317 584879132 /nfs/dbraw/zinc/87/91/32/584879132.db2.gz TWORDWBMWAVMFG-OUAUKWLOSA-N 2 0 213.325 -0.491 20 0 BBADRP CC1(C)C[NH2+]C[C@H]1NC1CCN(CC[NH3+])CC1 ZINC000904461657 637407093 /nfs/dbraw/zinc/40/70/93/637407093.db2.gz LPWVUFYRHAXBTN-GFCCVEGCSA-N 2 0 240.395 -0.003 20 0 BBADRP CC1(C)C[NH2+]C[C@@H]1NC1CCN(CC[NH3+])CC1 ZINC000904461658 637406804 /nfs/dbraw/zinc/40/68/04/637406804.db2.gz LPWVUFYRHAXBTN-LBPRGKRZSA-N 2 0 240.395 -0.003 20 0 BBADRP C[C@@]1([NH2+]CC2CC[NH2+]CC2)CCNC1=O ZINC000904468958 637422209 /nfs/dbraw/zinc/42/22/09/637422209.db2.gz HFHYAKXJSLYMKA-LLVKDONJSA-N 2 0 211.309 -0.146 20 0 BBADRP C[C@]1([NH2+]CC2CC[NH2+]CC2)CCNC1=O ZINC000904468971 637424135 /nfs/dbraw/zinc/42/41/35/637424135.db2.gz HFHYAKXJSLYMKA-NSHDSACASA-N 2 0 211.309 -0.146 20 0 BBADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+](C)C)C1 ZINC000905049452 637567202 /nfs/dbraw/zinc/56/72/02/637567202.db2.gz AUJUMYZMSCKOSU-UHFFFAOYSA-N 2 0 242.367 -0.842 20 0 BBADRP CC(C)[NH2+]Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000905061134 637597119 /nfs/dbraw/zinc/59/71/19/637597119.db2.gz DIDLUBBNULDROG-LLVKDONJSA-N 2 0 239.323 -0.236 20 0 BBADRP CC(C)[NH2+]Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000905061135 637595719 /nfs/dbraw/zinc/59/57/19/637595719.db2.gz DIDLUBBNULDROG-NSHDSACASA-N 2 0 239.323 -0.236 20 0 BBADRP C[NH+](C)CCc1cn(CC[NH+](C)C)nn1 ZINC000905062166 637596570 /nfs/dbraw/zinc/59/65/70/637596570.db2.gz SSYNALWZXXFNBV-UHFFFAOYSA-N 2 0 211.313 -0.056 20 0 BBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905200494 637694500 /nfs/dbraw/zinc/69/45/00/637694500.db2.gz LMLSATGFTDXGSF-LLVKDONJSA-N 2 0 246.351 -0.570 20 0 BBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905200495 637693983 /nfs/dbraw/zinc/69/39/83/637693983.db2.gz LMLSATGFTDXGSF-NSHDSACASA-N 2 0 246.351 -0.570 20 0 BBADRP C[NH2+]CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905328549 637741561 /nfs/dbraw/zinc/74/15/61/637741561.db2.gz BZFHLVXZJCMWNT-UHFFFAOYSA-N 2 0 235.353 -0.875 20 0 BBADRP C[NH2+]CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905328609 637744889 /nfs/dbraw/zinc/74/48/89/637744889.db2.gz CTLRDDKYOXCIEX-UHFFFAOYSA-N 2 0 249.380 -0.485 20 0 BBADRP CC(C)(C[NH3+])NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905328929 637779394 /nfs/dbraw/zinc/77/93/94/637779394.db2.gz FCAZUPNEPAXQNU-UHFFFAOYSA-N 2 0 249.380 -0.357 20 0 BBADRP C[C@@H]([NH3+])CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905328962 637779063 /nfs/dbraw/zinc/77/90/63/637779063.db2.gz FRQRCAMJEQAMFK-SECBINFHSA-N 2 0 249.380 -0.357 20 0 BBADRP C[C@H]([NH3+])CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905328963 637778166 /nfs/dbraw/zinc/77/81/66/637778166.db2.gz FRQRCAMJEQAMFK-VIFPVBQESA-N 2 0 249.380 -0.357 20 0 BBADRP CC(C)([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905329259 637779417 /nfs/dbraw/zinc/77/94/17/637779417.db2.gz JLUJJHGFLOMLCG-UHFFFAOYSA-N 2 0 249.380 -0.357 20 0 BBADRP C[C@H](C[NH3+])N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905329733 637778876 /nfs/dbraw/zinc/77/88/76/637778876.db2.gz MWAAISPULXQQHK-SECBINFHSA-N 2 0 249.380 -0.405 20 0 BBADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905329734 637778547 /nfs/dbraw/zinc/77/85/47/637778547.db2.gz MWAAISPULXQQHK-VIFPVBQESA-N 2 0 249.380 -0.405 20 0 BBADRP CN(CCC[NH3+])S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330195 637781014 /nfs/dbraw/zinc/78/10/14/637781014.db2.gz OWPLDGBBFPVZDX-UHFFFAOYSA-N 2 0 249.380 -0.404 20 0 BBADRP CC[NH2+]CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330248 637780367 /nfs/dbraw/zinc/78/03/67/637780367.db2.gz RFCUEKVJXAYZKY-UHFFFAOYSA-N 2 0 249.380 -0.485 20 0 BBADRP [NH3+][C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905330542 637781361 /nfs/dbraw/zinc/78/13/61/637781361.db2.gz UASPEPTWGMKHEO-JTQLQIEISA-N 2 0 247.364 -0.651 20 0 BBADRP [NH3+][C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905330544 637780501 /nfs/dbraw/zinc/78/05/01/637780501.db2.gz UASPEPTWGMKHEO-SNVBAGLBSA-N 2 0 247.364 -0.651 20 0 BBADRP C[C@H](C[NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341632 637783277 /nfs/dbraw/zinc/78/32/77/637783277.db2.gz BYCKRTHSSFLWAS-SECBINFHSA-N 2 0 249.380 -0.500 20 0 BBADRP C[C@@H](C[NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341633 637782369 /nfs/dbraw/zinc/78/23/69/637782369.db2.gz BYCKRTHSSFLWAS-VIFPVBQESA-N 2 0 249.380 -0.500 20 0 BBADRP C[C@H](CC[NH3+])NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905342179 637781743 /nfs/dbraw/zinc/78/17/43/637781743.db2.gz HIVYOXXVEXFCFO-SECBINFHSA-N 2 0 249.380 -0.357 20 0 BBADRP C[C@@H](CC[NH3+])NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905342180 637782449 /nfs/dbraw/zinc/78/24/49/637782449.db2.gz HIVYOXXVEXFCFO-VIFPVBQESA-N 2 0 249.380 -0.357 20 0 BBADRP CC[C@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343532 637782755 /nfs/dbraw/zinc/78/27/55/637782755.db2.gz JOHLPRUYMGUDNH-JTQLQIEISA-N 2 0 249.380 -0.357 20 0 BBADRP CC[C@@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343534 637781952 /nfs/dbraw/zinc/78/19/52/637781952.db2.gz JOHLPRUYMGUDNH-SNVBAGLBSA-N 2 0 249.380 -0.357 20 0 BBADRP CN(CC[NH3+])S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343628 637782734 /nfs/dbraw/zinc/78/27/34/637782734.db2.gz KXVFIZKSHRMOHB-UHFFFAOYSA-N 2 0 235.353 -0.794 20 0 BBADRP C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343631 637782823 /nfs/dbraw/zinc/78/28/23/637782823.db2.gz KYMKDAFHZCEJQZ-BDAKNGLRSA-N 2 0 249.380 -0.359 20 0 BBADRP C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000905343632 637783201 /nfs/dbraw/zinc/78/32/01/637783201.db2.gz KYMKDAFHZCEJQZ-DTWKUNHWSA-N 2 0 249.380 -0.359 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343850 637767784 /nfs/dbraw/zinc/76/77/84/637767784.db2.gz KYMKDAFHZCEJQZ-IUCAKERBSA-N 2 0 249.380 -0.359 20 0 BBADRP C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343852 637767742 /nfs/dbraw/zinc/76/77/42/637767742.db2.gz KYMKDAFHZCEJQZ-RKDXNWHRSA-N 2 0 249.380 -0.359 20 0 BBADRP CN(C1C[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905343989 637767765 /nfs/dbraw/zinc/76/77/65/637767765.db2.gz MVYLURYVFCARQI-UHFFFAOYSA-N 2 0 247.364 -0.781 20 0 BBADRP C[C@H](C[NH3+])NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344106 637767831 /nfs/dbraw/zinc/76/78/31/637767831.db2.gz WHQVKWKYOQEGMI-MRVPVSSYSA-N 2 0 235.353 -0.747 20 0 BBADRP C[C@@H](C[NH3+])NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344107 637767328 /nfs/dbraw/zinc/76/73/28/637767328.db2.gz WHQVKWKYOQEGMI-QMMMGPOBSA-N 2 0 235.353 -0.747 20 0 BBADRP C[C@@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344625 637768011 /nfs/dbraw/zinc/76/80/11/637768011.db2.gz PYFLLADVRUNEFD-MRVPVSSYSA-N 2 0 235.353 -0.747 20 0 BBADRP C[C@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344628 637768268 /nfs/dbraw/zinc/76/82/68/637768268.db2.gz PYFLLADVRUNEFD-QMMMGPOBSA-N 2 0 235.353 -0.747 20 0 BBADRP [NH3+][C@H]1C[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905345379 637767095 /nfs/dbraw/zinc/76/70/95/637767095.db2.gz VYVJSGUUYXUWGD-AOOOYVTPSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+][C@H]1C[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905345382 637767809 /nfs/dbraw/zinc/76/78/09/637767809.db2.gz VYVJSGUUYXUWGD-MGCOHNPYSA-N 2 0 247.364 -0.605 20 0 BBADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905360387 637778107 /nfs/dbraw/zinc/77/81/07/637778107.db2.gz BEMFAGQACWBKOA-SECBINFHSA-N 2 0 249.380 -0.405 20 0 BBADRP C[C@H]([NH3+])CN(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905360389 637778883 /nfs/dbraw/zinc/77/88/83/637778883.db2.gz BEMFAGQACWBKOA-VIFPVBQESA-N 2 0 249.380 -0.405 20 0 BBADRP C[NH2+]C[C@@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905361746 637782016 /nfs/dbraw/zinc/78/20/16/637782016.db2.gz LBRIPXQGXCNVHP-SECBINFHSA-N 2 0 249.380 -0.487 20 0 BBADRP C[NH2+]C[C@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905361748 637767713 /nfs/dbraw/zinc/76/77/13/637767713.db2.gz LBRIPXQGXCNVHP-VIFPVBQESA-N 2 0 249.380 -0.487 20 0 BBADRP CCN(CC[NH3+])S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905362256 637786623 /nfs/dbraw/zinc/78/66/23/637786623.db2.gz OTIIATNMNFSLRL-UHFFFAOYSA-N 2 0 249.380 -0.404 20 0 BBADRP OC[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905641419 637880174 /nfs/dbraw/zinc/88/01/74/637880174.db2.gz SZUSXRIPWQRRMC-IJLUTSLNSA-N 2 0 228.336 -0.196 20 0 BBADRP OC[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000905641420 637880535 /nfs/dbraw/zinc/88/05/35/637880535.db2.gz SZUSXRIPWQRRMC-SRVKXCTJSA-N 2 0 228.336 -0.196 20 0 BBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C/C=C/Cl)CC1 ZINC000905708475 637892580 /nfs/dbraw/zinc/89/25/80/637892580.db2.gz PENIDEXFLFJYKQ-KXMPLOMGSA-N 2 0 247.770 -0.063 20 0 BBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C/C=C\Cl)CC1 ZINC000905708476 637892834 /nfs/dbraw/zinc/89/28/34/637892834.db2.gz PENIDEXFLFJYKQ-OTDNITJGSA-N 2 0 247.770 -0.063 20 0 BBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C/C=C\Cl)CC1 ZINC000905708477 637892110 /nfs/dbraw/zinc/89/21/10/637892110.db2.gz PENIDEXFLFJYKQ-QUCGXOGASA-N 2 0 247.770 -0.063 20 0 BBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C/C=C/Cl)CC1 ZINC000905708478 637892356 /nfs/dbraw/zinc/89/23/56/637892356.db2.gz PENIDEXFLFJYKQ-VUDBWIFFSA-N 2 0 247.770 -0.063 20 0 BBADRP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1(O)CCCC1 ZINC000905914338 637973279 /nfs/dbraw/zinc/97/32/79/637973279.db2.gz FCCQADKMPSKOAS-IJLUTSLNSA-N 2 0 240.347 -0.196 20 0 BBADRP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1(O)CCCC1 ZINC000905914340 637972886 /nfs/dbraw/zinc/97/28/86/637972886.db2.gz FCCQADKMPSKOAS-SDDRHHMPSA-N 2 0 240.347 -0.196 20 0 BBADRP CC[N@H+](C)C[C@@H](O)CN1CC(COC)C1 ZINC000905970814 637986224 /nfs/dbraw/zinc/98/62/24/637986224.db2.gz KDLVWNJFPAADMO-LLVKDONJSA-N 2 0 216.325 -0.123 20 0 BBADRP CC[N@H+](C)C[C@H](O)CN1CC(COC)C1 ZINC000905970815 637986749 /nfs/dbraw/zinc/98/67/49/637986749.db2.gz KDLVWNJFPAADMO-NSHDSACASA-N 2 0 216.325 -0.123 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000906091356 638049019 /nfs/dbraw/zinc/04/90/19/638049019.db2.gz DQBNODAWQWQWOV-AXFHLTTASA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000906091357 638048238 /nfs/dbraw/zinc/04/82/38/638048238.db2.gz DQBNODAWQWQWOV-GMTAPVOTSA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000906091359 638048413 /nfs/dbraw/zinc/04/84/13/638048413.db2.gz DQBNODAWQWQWOV-HBNTYKKESA-N 2 0 243.351 -0.066 20 0 BBADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000906091360 638050017 /nfs/dbraw/zinc/05/00/17/638050017.db2.gz DQBNODAWQWQWOV-MXWKQRLJSA-N 2 0 243.351 -0.066 20 0 BBADRP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])c1cc(C[NH3+])ccn1 ZINC000906226662 638118447 /nfs/dbraw/zinc/11/84/47/638118447.db2.gz CQGZTCYBNDLEFA-BDAKNGLRSA-N 2 0 220.276 -0.150 20 0 BBADRP CC(C)([NH3+])CNC(=O)NCC(C)(C)[NH3+] ZINC000906470619 638173217 /nfs/dbraw/zinc/17/32/17/638173217.db2.gz AZOJRIIPQNJOBT-UHFFFAOYSA-N 2 0 202.302 -0.240 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000906473956 638174737 /nfs/dbraw/zinc/17/47/37/638174737.db2.gz CWVYIXCXTNBVHS-JTQLQIEISA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000906473957 638174176 /nfs/dbraw/zinc/17/41/76/638174176.db2.gz CWVYIXCXTNBVHS-SNVBAGLBSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000906474388 638174194 /nfs/dbraw/zinc/17/41/94/638174194.db2.gz SEBAWUJPUSPPSS-NXEZZACHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000906474389 638174811 /nfs/dbraw/zinc/17/48/11/638174811.db2.gz SEBAWUJPUSPPSS-UWVGGRQHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000906474390 638174703 /nfs/dbraw/zinc/17/47/03/638174703.db2.gz SEBAWUJPUSPPSS-VHSXEESVSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000906474391 638174283 /nfs/dbraw/zinc/17/42/83/638174283.db2.gz SEBAWUJPUSPPSS-ZJUUUORDSA-N 2 0 226.324 -0.129 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908195694 638600680 /nfs/dbraw/zinc/60/06/80/638600680.db2.gz QGOUPMIXEPZPKV-HOSYDEDBSA-N 2 0 243.351 -0.492 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908195695 638600221 /nfs/dbraw/zinc/60/02/21/638600221.db2.gz QGOUPMIXEPZPKV-JBLDHEPKSA-N 2 0 243.351 -0.492 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908195696 638599797 /nfs/dbraw/zinc/59/97/97/638599797.db2.gz QGOUPMIXEPZPKV-NHCYSSNCSA-N 2 0 243.351 -0.492 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908195697 638600453 /nfs/dbraw/zinc/60/04/53/638600453.db2.gz QGOUPMIXEPZPKV-UMNHJUIQSA-N 2 0 243.351 -0.492 20 0 BBADRP C[NH+](C)C[C@@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC000908201447 638610224 /nfs/dbraw/zinc/61/02/24/638610224.db2.gz PCVXUFUYXKGVDF-JTQLQIEISA-N 2 0 243.351 -0.491 20 0 BBADRP C[NH+](C)C[C@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC000908201449 638610461 /nfs/dbraw/zinc/61/04/61/638610461.db2.gz PCVXUFUYXKGVDF-SNVBAGLBSA-N 2 0 243.351 -0.491 20 0 BBADRP C[C@@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+](C)C ZINC000911560231 639666146 /nfs/dbraw/zinc/66/61/46/639666146.db2.gz WJZXCDUUOGGVAT-HOSYDEDBSA-N 2 0 243.351 -0.492 20 0 BBADRP C[C@@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)[NH+](C)C ZINC000911560232 639666665 /nfs/dbraw/zinc/66/66/65/639666665.db2.gz WJZXCDUUOGGVAT-JBLDHEPKSA-N 2 0 243.351 -0.492 20 0 BBADRP C[C@@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[NH+](C)C ZINC000911560233 639668160 /nfs/dbraw/zinc/66/81/60/639668160.db2.gz WJZXCDUUOGGVAT-NHCYSSNCSA-N 2 0 243.351 -0.492 20 0 BBADRP C[C@@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+](C)C ZINC000911560234 639667718 /nfs/dbraw/zinc/66/77/18/639667718.db2.gz WJZXCDUUOGGVAT-UMNHJUIQSA-N 2 0 243.351 -0.492 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC000911619180 639681606 /nfs/dbraw/zinc/68/16/06/639681606.db2.gz FARMJVJEPCYSKC-CMPLNLGQSA-N 2 0 241.335 -0.559 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC000911619182 639681292 /nfs/dbraw/zinc/68/12/92/639681292.db2.gz FARMJVJEPCYSKC-JQWIXIFHSA-N 2 0 241.335 -0.559 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911619206 639681432 /nfs/dbraw/zinc/68/14/32/639681432.db2.gz FPKLMHLNNWFYKJ-INWMGODYSA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911619233 639681150 /nfs/dbraw/zinc/68/11/50/639681150.db2.gz GIXBEACWURTZNJ-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC000911619234 639681417 /nfs/dbraw/zinc/68/14/17/639681417.db2.gz GMFCDEJMFVNPNF-CABZTGNLSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911619526 639682396 /nfs/dbraw/zinc/68/23/96/639682396.db2.gz KOXHSSLRFZHEMM-CHWFTXMASA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911619527 639683307 /nfs/dbraw/zinc/68/33/07/639683307.db2.gz KOXHSSLRFZHEMM-VLEAKVRGSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911619528 639682945 /nfs/dbraw/zinc/68/29/45/639682945.db2.gz KOXHSSLRFZHEMM-ZNSHCXBVSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911619529 639683655 /nfs/dbraw/zinc/68/36/55/639683655.db2.gz KOXHSSLRFZHEMM-ZRUFSTJUSA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+][C@@H]1C[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)[C@H]2C[C@H]21 ZINC000911620394 639683215 /nfs/dbraw/zinc/68/32/15/639683215.db2.gz QZULXEPSGRTNIC-NZHYYXIDSA-N 2 0 223.320 -0.081 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](O)C[NH2+]1 ZINC000911620820 639682510 /nfs/dbraw/zinc/68/25/10/639682510.db2.gz VRKIUMXACSEJEQ-ATZCPNFKSA-N 2 0 227.308 -0.951 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC000911621143 639682708 /nfs/dbraw/zinc/68/27/08/639682708.db2.gz VRKIUMXACSEJEQ-FXPVBKGRSA-N 2 0 227.308 -0.951 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC000911621145 639683584 /nfs/dbraw/zinc/68/35/84/639683584.db2.gz VRKIUMXACSEJEQ-IQJOONFLSA-N 2 0 227.308 -0.951 20 0 BBADRP C[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](O)C[NH2+]1 ZINC000911621146 639683138 /nfs/dbraw/zinc/68/31/38/639683138.db2.gz VRKIUMXACSEJEQ-WCABBAIRSA-N 2 0 227.308 -0.951 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000911621225 639683687 /nfs/dbraw/zinc/68/36/87/639683687.db2.gz XDBQXUGLXHCOGX-HWOCKDDLSA-N 2 0 211.309 -0.066 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911621228 639683631 /nfs/dbraw/zinc/68/36/31/639683631.db2.gz XDBQXUGLXHCOGX-KYHHOPLUSA-N 2 0 211.309 -0.066 20 0 BBADRP CC[C@H](C(=O)NCC[NH3+])N1CCO[C@H](CC)C1 ZINC000911622858 639685866 /nfs/dbraw/zinc/68/58/66/639685866.db2.gz JDKSMVMRXHMQEX-GHMZBOCLSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@@H](C(=O)NCC[NH3+])N1CCO[C@H](CC)C1 ZINC000911622859 639684945 /nfs/dbraw/zinc/68/49/45/639684945.db2.gz JDKSMVMRXHMQEX-MNOVXSKESA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@@H](C(=O)NCC[NH3+])N1CCO[C@@H](CC)C1 ZINC000911622860 639685764 /nfs/dbraw/zinc/68/57/64/639685764.db2.gz JDKSMVMRXHMQEX-QWRGUYRKSA-N 2 0 243.351 -0.049 20 0 BBADRP CC[C@H](C(=O)NCC[NH3+])N1CCO[C@@H](CC)C1 ZINC000911622861 639684838 /nfs/dbraw/zinc/68/48/38/639684838.db2.gz JDKSMVMRXHMQEX-WDEREUQCSA-N 2 0 243.351 -0.049 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCC([NH3+])CC2)C1 ZINC000911623914 639685298 /nfs/dbraw/zinc/68/52/98/639685298.db2.gz ISOQKGJPGDWWBL-UHFFFAOYSA-N 2 0 211.309 -0.066 20 0 BBADRP O=C(NC1CC[NH2+]CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911628251 639687410 /nfs/dbraw/zinc/68/74/10/639687410.db2.gz KCDLNONDJFPVAJ-SKDRFNHKSA-N 2 0 223.320 -0.003 20 0 BBADRP [NH3+]CCNC(=O)c1cccc2c1OCC[NH2+]C2 ZINC000911628735 639687620 /nfs/dbraw/zinc/68/76/20/639687620.db2.gz BRBHFCCEQBQEFL-UHFFFAOYSA-N 2 0 235.287 -0.143 20 0 BBADRP C[C@H]1[NH2+]CCn2c(C(=O)NCC[NH3+])ccc21 ZINC000911628791 639689874 /nfs/dbraw/zinc/68/98/74/639689874.db2.gz DYNUZWSUGWJWAL-MRVPVSSYSA-N 2 0 222.292 -0.159 20 0 BBADRP C[C@@H]1[NH2+]CCn2c(C(=O)NCC[NH3+])ccc21 ZINC000911628792 639690271 /nfs/dbraw/zinc/69/02/71/639690271.db2.gz DYNUZWSUGWJWAL-QMMMGPOBSA-N 2 0 222.292 -0.159 20 0 BBADRP O=C(NC1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911629266 639689477 /nfs/dbraw/zinc/68/94/77/639689477.db2.gz HKMGHXZEXOODHZ-CABZTGNLSA-N 2 0 223.320 -0.146 20 0 BBADRP C[NH2+]C1CC(C(=O)NC2CC[NH2+]CC2)C1 ZINC000911629287 639689791 /nfs/dbraw/zinc/68/97/91/639689791.db2.gz IJGXCOLZJAONLD-UHFFFAOYSA-N 2 0 211.309 -0.147 20 0 BBADRP [NH3+]CCNC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911629510 639689459 /nfs/dbraw/zinc/68/94/59/639689459.db2.gz JLPIVWWOOYHMSH-GXSJLCMTSA-N 2 0 211.309 -0.016 20 0 BBADRP CSCC[C@H]([NH3+])CC(=O)NCC[NH3+] ZINC000911629651 639689325 /nfs/dbraw/zinc/68/93/25/639689325.db2.gz LIEUZJRXMDHVBB-ZETCQYMHSA-N 2 0 205.327 -0.468 20 0 BBADRP [NH3+]CCNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911629707 639689521 /nfs/dbraw/zinc/68/95/21/639689521.db2.gz MFWQHDUGRKTVFT-UHFFFAOYSA-N 2 0 221.251 -0.304 20 0 BBADRP [NH3+]CCCSCCC(=O)NCC[NH3+] ZINC000911630141 639688910 /nfs/dbraw/zinc/68/89/10/639688910.db2.gz PFMLZZHTYVWKME-UHFFFAOYSA-N 2 0 205.327 -0.467 20 0 BBADRP [NH3+]CCNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911630176 639690129 /nfs/dbraw/zinc/69/01/29/639690129.db2.gz POVYELDCUCSMRB-UHFFFAOYSA-N 2 0 220.276 -0.584 20 0 BBADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NCC[NH3+] ZINC000911630220 639689648 /nfs/dbraw/zinc/68/96/48/639689648.db2.gz RFYUVBCOBFHORE-CYBMUJFWSA-N 2 0 249.314 -0.130 20 0 BBADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCC[NH3+] ZINC000911630221 639689128 /nfs/dbraw/zinc/68/91/28/639689128.db2.gz RFYUVBCOBFHORE-ZDUSSCGKSA-N 2 0 249.314 -0.130 20 0 BBADRP [NH3+]CCNC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC000911630414 639690954 /nfs/dbraw/zinc/69/09/54/639690954.db2.gz VSFPJVMDJXXAJN-UHFFFAOYSA-N 2 0 235.287 -0.143 20 0 BBADRP [NH3+]CCNC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC000911630631 639690918 /nfs/dbraw/zinc/69/09/18/639690918.db2.gz XNYCXSKMYDZWNK-UHFFFAOYSA-N 2 0 233.275 -0.519 20 0 BBADRP C[NH+](C)C1(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000911630647 639691634 /nfs/dbraw/zinc/69/16/34/639691634.db2.gz YXQHZODODSJPTN-UHFFFAOYSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH+]1CCC(OCC(=O)N2CC[NH2+]CC2)CC1 ZINC000911646792 639698762 /nfs/dbraw/zinc/69/87/62/639698762.db2.gz ANPMTQAOLFKLNF-UHFFFAOYSA-N 2 0 241.335 -0.471 20 0 BBADRP O=C(C1=CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000911646800 639699126 /nfs/dbraw/zinc/69/91/26/639699126.db2.gz AUFYVSBCTXAKPM-UHFFFAOYSA-N 2 0 209.293 -0.272 20 0 BBADRP O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH2+]CC1 ZINC000911646928 639698749 /nfs/dbraw/zinc/69/87/49/639698749.db2.gz HHXXSHJGQDUUAA-IVZWLZJFSA-N 2 0 209.293 -0.441 20 0 BBADRP CSCC[C@H]([NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000911647004 639699032 /nfs/dbraw/zinc/69/90/32/639699032.db2.gz KSNUZDZSGHHJDR-VIFPVBQESA-N 2 0 231.365 -0.111 20 0 BBADRP C[C@H]([NH3+])C1(C(=O)N2CC[NH2+]CC2)CCOCC1 ZINC000911647085 639700209 /nfs/dbraw/zinc/70/02/09/639700209.db2.gz OOUJSTQXRGIETD-JTQLQIEISA-N 2 0 241.335 -0.438 20 0 BBADRP C[C@@H]([NH3+])C1(C(=O)N2CC[NH2+]CC2)CCOCC1 ZINC000911647086 639699528 /nfs/dbraw/zinc/69/95/28/639699528.db2.gz OOUJSTQXRGIETD-SNVBAGLBSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCNCC(=O)NCC1([NH3+])CCCCC1 ZINC000911647132 639698405 /nfs/dbraw/zinc/69/84/05/639698405.db2.gz QHAQEAHJQHZZMT-UHFFFAOYSA-N 2 0 228.340 -0.688 20 0 BBADRP O=C(N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911647169 639698802 /nfs/dbraw/zinc/69/88/02/639698802.db2.gz SESCXFQOJANZPM-PWSUYJOCSA-N 2 0 239.319 -0.956 20 0 BBADRP O=C(c1ccc2c(n1)C[NH2+]CC2)N1CC[NH2+]CC1 ZINC000911647195 639701019 /nfs/dbraw/zinc/70/10/19/639701019.db2.gz UKFPKMRMZVPGQH-UHFFFAOYSA-N 2 0 246.314 -0.227 20 0 BBADRP O=C(N1CC[NH2+]CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911647247 639701112 /nfs/dbraw/zinc/70/11/12/639701112.db2.gz WIFWCIWCPQUVJE-KOLCDFICSA-N 2 0 209.293 -0.440 20 0 BBADRP CSCC[C@H]([NH3+])CC(=O)NCCC[NH3+] ZINC000911647395 639701805 /nfs/dbraw/zinc/70/18/05/639701805.db2.gz AXDIHAUUFNRWAW-QMMMGPOBSA-N 2 0 219.354 -0.078 20 0 BBADRP [NH3+]CCCNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911647462 639702277 /nfs/dbraw/zinc/70/22/77/639702277.db2.gz CFHLISPFSIBFBX-UHFFFAOYSA-N 2 0 234.303 -0.194 20 0 BBADRP C[NH+]1CCC(OCC(=O)NCCC[NH3+])CC1 ZINC000911647499 639701743 /nfs/dbraw/zinc/70/17/43/639701743.db2.gz DKVFCUDUXZAFBB-UHFFFAOYSA-N 2 0 229.324 -0.438 20 0 BBADRP [NH3+]CCCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911647582 639702010 /nfs/dbraw/zinc/70/20/10/639702010.db2.gz FSXNNBWPYHPARF-UHFFFAOYSA-N 2 0 240.307 -0.650 20 0 BBADRP O=C(N1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911647593 639701769 /nfs/dbraw/zinc/70/17/69/639701769.db2.gz CITYCZKNPVONFI-ONGXEEELSA-N 2 0 209.293 -0.582 20 0 BBADRP [NH3+]CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911647908 639700918 /nfs/dbraw/zinc/70/09/18/639700918.db2.gz JSSRXAYCZPWXGK-KOLCDFICSA-N 2 0 227.308 -0.923 20 0 BBADRP [NH3+]CCCNC(=O)CCSCCC[NH3+] ZINC000911648330 639703672 /nfs/dbraw/zinc/70/36/72/639703672.db2.gz QESOEFDZQYJXJX-UHFFFAOYSA-N 2 0 219.354 -0.077 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000911648500 639704128 /nfs/dbraw/zinc/70/41/28/639704128.db2.gz KWRVNBVKWHLARH-GFCCVEGCSA-N 2 0 248.330 -0.013 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000911648502 639705013 /nfs/dbraw/zinc/70/50/13/639705013.db2.gz KWRVNBVKWHLARH-LBPRGKRZSA-N 2 0 248.330 -0.013 20 0 BBADRP [NH3+]CCCNC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC000911649003 639705364 /nfs/dbraw/zinc/70/53/64/639705364.db2.gz YSHXSJXGEJHBDY-UHFFFAOYSA-N 2 0 247.302 -0.128 20 0 BBADRP [NH3+][C@@H]1C[C@H](C(=O)N2CC[NH2+]CC2)[C@H]2C[C@H]21 ZINC000911649980 639708385 /nfs/dbraw/zinc/70/83/85/639708385.db2.gz YZXTYQYUDRMMAB-QCLAVDOMSA-N 2 0 209.293 -0.599 20 0 BBADRP O=C([C@H]1CCc2cncn2C1)N1CC[NH2+]CC1 ZINC000911650010 639706884 /nfs/dbraw/zinc/70/68/84/639706884.db2.gz ZWRNIASLIALTKN-JTQLQIEISA-N 2 0 234.303 -0.123 20 0 BBADRP O=C([C@@H]1CCc2cncn2C1)N1CC[NH2+]CC1 ZINC000911650011 639708336 /nfs/dbraw/zinc/70/83/36/639708336.db2.gz ZWRNIASLIALTKN-SNVBAGLBSA-N 2 0 234.303 -0.123 20 0 BBADRP [NH3+]CCCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911651415 639707314 /nfs/dbraw/zinc/70/73/14/639707314.db2.gz DERLVLDQBHGTEH-LLVKDONJSA-N 2 0 240.307 -0.650 20 0 BBADRP [NH3+]CCCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911651416 639706698 /nfs/dbraw/zinc/70/66/98/639706698.db2.gz DERLVLDQBHGTEH-NSHDSACASA-N 2 0 240.307 -0.650 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651863 639706927 /nfs/dbraw/zinc/70/69/27/639706927.db2.gz GDIMGNULJPGAJF-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911651892 639708133 /nfs/dbraw/zinc/70/81/33/639708133.db2.gz GVDZUTWNCBXZOQ-KKZNHRDASA-N 2 0 209.293 -0.312 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911652190 639706981 /nfs/dbraw/zinc/70/69/81/639706981.db2.gz MISISSXQWBAQRX-UTINFBMNSA-N 2 0 209.293 -0.314 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911652205 639710370 /nfs/dbraw/zinc/71/03/70/639710370.db2.gz MUNCXWNJSKZTQC-NGZCFLSTSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911652341 639709166 /nfs/dbraw/zinc/70/91/66/639709166.db2.gz OBAOEROYBWIMLS-DOLQZWNJSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911652342 639709759 /nfs/dbraw/zinc/70/97/59/639709759.db2.gz OBAOEROYBWIMLS-IMSYWVGJSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911652499 639710747 /nfs/dbraw/zinc/71/07/47/639710747.db2.gz UURXTLCQRNLCAL-FKTRJACZSA-N 2 0 209.293 -0.169 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911652747 639709621 /nfs/dbraw/zinc/70/96/21/639709621.db2.gz XNLPRRGDWFECBO-SNVBAGLBSA-N 2 0 209.293 -0.144 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911655677 639711305 /nfs/dbraw/zinc/71/13/05/639711305.db2.gz IJESLXZRXKNJTG-LNFKQOIKSA-N 2 0 223.320 -0.053 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911655682 639713214 /nfs/dbraw/zinc/71/32/14/639713214.db2.gz IJESLXZRXKNJTG-UKKRHICBSA-N 2 0 223.320 -0.053 20 0 BBADRP O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC[NH2+]CC1 ZINC000911655763 639711426 /nfs/dbraw/zinc/71/14/26/639711426.db2.gz GZZBLERUQYMPNW-HBNTYKKESA-N 2 0 223.320 -0.051 20 0 BBADRP [NH3+][C@@H]1C[C@H](C(=O)N2CCC[NH2+]CC2)[C@H]2C[C@H]21 ZINC000911655776 639712534 /nfs/dbraw/zinc/71/25/34/639712534.db2.gz HQERIHVCDHMZTC-ZRUFSTJUSA-N 2 0 223.320 -0.208 20 0 BBADRP O=C(N1CCC[NH2+]CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911656218 639712392 /nfs/dbraw/zinc/71/23/92/639712392.db2.gz LGIOPQVELYXIAH-PWSUYJOCSA-N 2 0 223.320 -0.050 20 0 BBADRP O=C(N1CCC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911656787 639711696 /nfs/dbraw/zinc/71/16/96/639711696.db2.gz ULZHGAULXNWXRW-JQWIXIFHSA-N 2 0 223.320 -0.192 20 0 BBADRP C[NH+](C)C1(C(=O)N2CCC[NH2+]CC2)CC1 ZINC000911657074 639715497 /nfs/dbraw/zinc/71/54/97/639715497.db2.gz RUEXCTRCXOCHLU-UHFFFAOYSA-N 2 0 211.309 -0.098 20 0 BBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000911657082 639714565 /nfs/dbraw/zinc/71/45/65/639714565.db2.gz RWLCPJXBZHJJFP-GFCCVEGCSA-N 2 0 241.335 -0.687 20 0 BBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000911657084 639715761 /nfs/dbraw/zinc/71/57/61/639715761.db2.gz RWLCPJXBZHJJFP-LBPRGKRZSA-N 2 0 241.335 -0.687 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911657324 639713939 /nfs/dbraw/zinc/71/39/39/639713939.db2.gz SOJPYVGYWDNCNP-FOGDFJRCSA-N 2 0 223.320 -0.051 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911657326 639715732 /nfs/dbraw/zinc/71/57/32/639715732.db2.gz SOJPYVGYWDNCNP-SCVCMEIPSA-N 2 0 223.320 -0.051 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911659532 711819225 /nfs/dbraw/zinc/81/92/25/711819225.db2.gz BKLOKIJWYZSSIE-CHWFTXMASA-N 2 0 223.320 -0.338 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911659533 711819294 /nfs/dbraw/zinc/81/92/94/711819294.db2.gz BKLOKIJWYZSSIE-VLEAKVRGSA-N 2 0 223.320 -0.338 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911659534 711819216 /nfs/dbraw/zinc/81/92/16/711819216.db2.gz BKLOKIJWYZSSIE-ZNSHCXBVSA-N 2 0 223.320 -0.338 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911659535 711819262 /nfs/dbraw/zinc/81/92/62/711819262.db2.gz BKLOKIJWYZSSIE-ZRUFSTJUSA-N 2 0 223.320 -0.338 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911659780 639692070 /nfs/dbraw/zinc/69/20/70/639692070.db2.gz DPBPSLKYONMDQP-NHCYSSNCSA-N 2 0 223.320 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911659782 639693425 /nfs/dbraw/zinc/69/34/25/639693425.db2.gz DPBPSLKYONMDQP-UMNHJUIQSA-N 2 0 223.320 -0.194 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C2([NH2+]C)CCC2)C1 ZINC000911659879 639693000 /nfs/dbraw/zinc/69/30/00/639693000.db2.gz GMYVADHQTXCDJM-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C2([NH2+]C)CCC2)C1 ZINC000911659880 639693188 /nfs/dbraw/zinc/69/31/88/639693188.db2.gz GMYVADHQTXCDJM-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911660917 639692821 /nfs/dbraw/zinc/69/28/21/639692821.db2.gz ORRUFPWNNMVXRH-INWMGODYSA-N 2 0 209.293 -0.441 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911660918 639692562 /nfs/dbraw/zinc/69/25/62/639692562.db2.gz ORRUFPWNNMVXRH-YUCVTWSNSA-N 2 0 209.293 -0.441 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC000911660952 639692871 /nfs/dbraw/zinc/69/28/71/639692871.db2.gz PWJOFGQQWSFENF-CMPLNLGQSA-N 2 0 241.335 -0.689 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC000911660954 639692081 /nfs/dbraw/zinc/69/20/81/639692081.db2.gz PWJOFGQQWSFENF-JQWIXIFHSA-N 2 0 241.335 -0.689 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)C1 ZINC000911660955 639692966 /nfs/dbraw/zinc/69/29/66/639692966.db2.gz PWJOFGQQWSFENF-PWSUYJOCSA-N 2 0 241.335 -0.689 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)C1 ZINC000911660957 639692481 /nfs/dbraw/zinc/69/24/81/639692481.db2.gz PWJOFGQQWSFENF-ZYHUDNBSSA-N 2 0 241.335 -0.689 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000911660973 639692881 /nfs/dbraw/zinc/69/28/81/639692881.db2.gz QIPLBELKCXOJGU-HWOCKDDLSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000911660975 639692313 /nfs/dbraw/zinc/69/23/13/639692313.db2.gz QIPLBELKCXOJGU-KYHHOPLUSA-N 2 0 211.309 -0.195 20 0 BBADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911661244 639692671 /nfs/dbraw/zinc/69/26/71/639692671.db2.gz RUSIYPPRNLTCJU-FOGDFJRCSA-N 2 0 239.319 -0.828 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911661551 639695536 /nfs/dbraw/zinc/69/55/36/639695536.db2.gz WUXKYRQSGJQHNH-SECBINFHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911661552 639695226 /nfs/dbraw/zinc/69/52/26/639695226.db2.gz WUXKYRQSGJQHNH-VIFPVBQESA-N 2 0 211.309 -0.099 20 0 BBADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C1 ZINC000911661868 639695489 /nfs/dbraw/zinc/69/54/89/639695489.db2.gz YXNRPWJBPHVJBQ-HWUMTFDVSA-N 2 0 223.320 -0.210 20 0 BBADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C1 ZINC000911661869 639694610 /nfs/dbraw/zinc/69/46/10/639694610.db2.gz YXNRPWJBPHVJBQ-NZFPMDFQSA-N 2 0 223.320 -0.210 20 0 BBADRP [NH3+]CC1CCN(C(=O)C23CC(C2)C[NH2+]3)CC1 ZINC000911670331 639696183 /nfs/dbraw/zinc/69/61/83/639696183.db2.gz JTPATLLOSKSPBT-UHFFFAOYSA-N 2 0 223.320 -0.064 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911671726 639697101 /nfs/dbraw/zinc/69/71/01/639697101.db2.gz AVXOUTWPQKUWEW-GRYCIOLGSA-N 2 0 237.347 -0.042 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911671727 639696318 /nfs/dbraw/zinc/69/63/18/639696318.db2.gz AVXOUTWPQKUWEW-WOPDTQHZSA-N 2 0 237.347 -0.042 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000911671971 639697486 /nfs/dbraw/zinc/69/74/86/639697486.db2.gz HFTHESQIAUZAFG-UWVGGRQHSA-N 2 0 211.309 -0.303 20 0 BBADRP [NH3+][C@@H]1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)[C@H]2C[C@H]21 ZINC000911671990 639696178 /nfs/dbraw/zinc/69/61/78/639696178.db2.gz HTOYJSJKHLHRHF-NZHYYXIDSA-N 2 0 223.320 -0.162 20 0 BBADRP [NH3+][C@@H]1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)[C@H]2C[C@H]21 ZINC000911671991 639697155 /nfs/dbraw/zinc/69/71/55/639697155.db2.gz HTOYJSJKHLHRHF-QUARPLMYSA-N 2 0 223.320 -0.162 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911672331 639699481 /nfs/dbraw/zinc/69/94/81/639699481.db2.gz CFJWPDZVIGSJNL-CHWFTXMASA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911672332 639700164 /nfs/dbraw/zinc/70/01/64/639700164.db2.gz CFJWPDZVIGSJNL-VLEAKVRGSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911672333 639699091 /nfs/dbraw/zinc/69/90/91/639699091.db2.gz CFJWPDZVIGSJNL-ZNSHCXBVSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911672334 639699238 /nfs/dbraw/zinc/69/92/38/639699238.db2.gz CFJWPDZVIGSJNL-ZRUFSTJUSA-N 2 0 223.320 -0.290 20 0 BBADRP [NH3+]C1CC(CC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000911672361 639698725 /nfs/dbraw/zinc/69/87/25/639698725.db2.gz CWMGZSHHEOTLOT-RTBKNWGFSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C1CC(CC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000911672362 639699368 /nfs/dbraw/zinc/69/93/68/639699368.db2.gz CWMGZSHHEOTLOT-UDNWOFFPSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000911672557 639710596 /nfs/dbraw/zinc/71/05/96/639710596.db2.gz LUIZLQYOTWXTLW-INWMGODYSA-N 2 0 209.293 -0.393 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000911672558 639708748 /nfs/dbraw/zinc/70/87/48/639708748.db2.gz LUIZLQYOTWXTLW-YUCVTWSNSA-N 2 0 209.293 -0.393 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911672853 639715776 /nfs/dbraw/zinc/71/57/76/639715776.db2.gz PMBCNLYVUODKPP-NHCYSSNCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911672854 639715628 /nfs/dbraw/zinc/71/56/28/639715628.db2.gz PMBCNLYVUODKPP-UMNHJUIQSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NCC1CC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC000911672895 639732348 /nfs/dbraw/zinc/73/23/48/639732348.db2.gz RANJKXUPUYYWEF-UHFFFAOYSA-N 2 0 223.320 -0.146 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000911673181 639734527 /nfs/dbraw/zinc/73/45/27/639734527.db2.gz SRLDNDNSJZEUQM-LLVKDONJSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000911673235 639736252 /nfs/dbraw/zinc/73/62/52/639736252.db2.gz SRLDNDNSJZEUQM-NSHDSACASA-N 2 0 240.351 -0.994 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911673664 639734420 /nfs/dbraw/zinc/73/44/20/639734420.db2.gz NXFGPAGKJMHNFK-FOGDFJRCSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911673665 639735930 /nfs/dbraw/zinc/73/59/30/639735930.db2.gz NXFGPAGKJMHNFK-SCVCMEIPSA-N 2 0 223.320 -0.003 20 0 BBADRP C[NH2+]C1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC1 ZINC000911674228 639714296 /nfs/dbraw/zinc/71/42/96/639714296.db2.gz RDXRJGLAGLOGDW-SECBINFHSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]C1(C(=O)N[C@H]2CCC[NH2+]C2)CCC1 ZINC000911674229 639715004 /nfs/dbraw/zinc/71/50/04/639715004.db2.gz RDXRJGLAGLOGDW-VIFPVBQESA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000911674265 639715463 /nfs/dbraw/zinc/71/54/63/639715463.db2.gz RUEVCKQZEWBPCX-CMPLNLGQSA-N 2 0 241.335 -0.641 20 0 BBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000911674266 639714931 /nfs/dbraw/zinc/71/49/31/639714931.db2.gz RUEVCKQZEWBPCX-JQWIXIFHSA-N 2 0 241.335 -0.641 20 0 BBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000911674267 639714259 /nfs/dbraw/zinc/71/42/59/639714259.db2.gz RUEVCKQZEWBPCX-PWSUYJOCSA-N 2 0 241.335 -0.641 20 0 BBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000911674268 639715920 /nfs/dbraw/zinc/71/59/20/639715920.db2.gz RUEVCKQZEWBPCX-ZYHUDNBSSA-N 2 0 241.335 -0.641 20 0 BBADRP C[NH2+]C1CC(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000911674563 639715821 /nfs/dbraw/zinc/71/58/21/639715821.db2.gz UTDVKPWOAILKDJ-HWOCKDDLSA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH2+]C1CC(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000911674564 639715579 /nfs/dbraw/zinc/71/55/79/639715579.db2.gz UTDVKPWOAILKDJ-KYHHOPLUSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911674855 639714193 /nfs/dbraw/zinc/71/41/93/639714193.db2.gz YBICKFZFOCOXOX-LNFKQOIKSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911674856 639714630 /nfs/dbraw/zinc/71/46/30/639714630.db2.gz YBICKFZFOCOXOX-UKKRHICBSA-N 2 0 223.320 -0.005 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911675634 639717570 /nfs/dbraw/zinc/71/75/70/639717570.db2.gz DRFWTLBOJQRASO-PWSUYJOCSA-N 2 0 241.335 -0.662 20 0 BBADRP C[NH2+]CCCNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911675637 639716985 /nfs/dbraw/zinc/71/69/85/639716985.db2.gz DTMKCLJHMIWLTD-NXEZZACHSA-N 2 0 213.325 -0.042 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911675825 639717565 /nfs/dbraw/zinc/71/75/65/639717565.db2.gz GISCDLCJETVGFB-ONGXEEELSA-N 2 0 211.309 -0.288 20 0 BBADRP C[NH2+]CCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC000911676353 639718109 /nfs/dbraw/zinc/71/81/09/639718109.db2.gz HOGDARUKLLRGNL-UHFFFAOYSA-N 2 0 239.323 -0.429 20 0 BBADRP C[NH2+]CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911677734 639717600 /nfs/dbraw/zinc/71/76/00/639717600.db2.gz OAGNOEJLZKIDBL-LLVKDONJSA-N 2 0 229.324 -0.783 20 0 BBADRP C[NH2+]CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911677736 639717665 /nfs/dbraw/zinc/71/76/65/639717665.db2.gz OAGNOEJLZKIDBL-NSHDSACASA-N 2 0 229.324 -0.783 20 0 BBADRP C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000911677872 639720768 /nfs/dbraw/zinc/72/07/68/639720768.db2.gz UMHXMUBVUMYQAX-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]CCCNC(=O)C12CCC(CC1)[NH2+]2 ZINC000911678185 639719760 /nfs/dbraw/zinc/71/97/60/639719760.db2.gz YGDYMIDXLXBCGC-UHFFFAOYSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]CCCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911678226 639721210 /nfs/dbraw/zinc/72/12/10/639721210.db2.gz YVDLMAHIZBBPKN-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911678247 639719328 /nfs/dbraw/zinc/71/93/28/639719328.db2.gz ZKWOLLJRXHDJAP-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911678249 639719811 /nfs/dbraw/zinc/71/98/11/639719811.db2.gz ZLYHCKAEPCTBHG-RGOKHQFPSA-N 2 0 211.309 -0.305 20 0 BBADRP C[NH2+]CCCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911678628 639720182 /nfs/dbraw/zinc/72/01/82/639720182.db2.gz SARDRZMHJJQFBC-KXUCPTDWSA-N 2 0 211.309 -0.432 20 0 BBADRP C[NH2+]CCCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911678630 639721012 /nfs/dbraw/zinc/72/10/12/639721012.db2.gz SARDRZMHJJQFBC-UTLUCORTSA-N 2 0 211.309 -0.432 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CNCC[NH3+] ZINC000911684121 639724782 /nfs/dbraw/zinc/72/47/82/639724782.db2.gz LZMFZPJUUQZUDV-NXEZZACHSA-N 2 0 228.340 -0.737 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CNCC[NH3+] ZINC000911684164 639724604 /nfs/dbraw/zinc/72/46/04/639724604.db2.gz LZMFZPJUUQZUDV-UWVGGRQHSA-N 2 0 228.340 -0.737 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CNCC[NH3+] ZINC000911684165 639726539 /nfs/dbraw/zinc/72/65/39/639726539.db2.gz LZMFZPJUUQZUDV-VHSXEESVSA-N 2 0 228.340 -0.737 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CNCC[NH3+] ZINC000911684166 639725763 /nfs/dbraw/zinc/72/57/63/639725763.db2.gz LZMFZPJUUQZUDV-ZJUUUORDSA-N 2 0 228.340 -0.737 20 0 BBADRP CC[NH2+]CCCNC(=O)C12CC(C1)C[NH2+]2 ZINC000911684321 639723562 /nfs/dbraw/zinc/72/35/62/639723562.db2.gz ABVCQAGLKFBEPO-UHFFFAOYSA-N 2 0 211.309 -0.146 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911685281 639725693 /nfs/dbraw/zinc/72/56/93/639725693.db2.gz NFBNHAZOYQBSKN-GXSJLCMTSA-N 2 0 229.324 -0.785 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911685282 639726402 /nfs/dbraw/zinc/72/64/02/639726402.db2.gz NFBNHAZOYQBSKN-KOLCDFICSA-N 2 0 229.324 -0.785 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911685283 639725029 /nfs/dbraw/zinc/72/50/29/639725029.db2.gz NFBNHAZOYQBSKN-MWLCHTKSSA-N 2 0 229.324 -0.785 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911685284 639725081 /nfs/dbraw/zinc/72/50/81/639725081.db2.gz NFBNHAZOYQBSKN-ONGXEEELSA-N 2 0 229.324 -0.785 20 0 BBADRP CC[NH2+]CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911685290 639724742 /nfs/dbraw/zinc/72/47/42/639724742.db2.gz NNQNYVLJDTULCT-GFCCVEGCSA-N 2 0 243.351 -0.393 20 0 BBADRP CC[NH2+]CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911685291 639726612 /nfs/dbraw/zinc/72/66/12/639726612.db2.gz NNQNYVLJDTULCT-LBPRGKRZSA-N 2 0 243.351 -0.393 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911685344 639725583 /nfs/dbraw/zinc/72/55/83/639725583.db2.gz PEGGWIKPJDJORB-OUAUKWLOSA-N 2 0 225.336 -0.042 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911685345 639724299 /nfs/dbraw/zinc/72/42/99/639724299.db2.gz PEGGWIKPJDJORB-VWYCJHECSA-N 2 0 225.336 -0.042 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@@H](O)C[NH3+] ZINC000911685820 639725860 /nfs/dbraw/zinc/72/58/60/639725860.db2.gz WGRZTXVWLZDCBD-AEJSXWLSSA-N 2 0 229.324 -0.576 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@H](O)C[NH3+] ZINC000911685821 639721864 /nfs/dbraw/zinc/72/18/64/639721864.db2.gz WGRZTXVWLZDCBD-GUBZILKMSA-N 2 0 229.324 -0.576 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@@H](O)C[NH3+] ZINC000911685824 639726135 /nfs/dbraw/zinc/72/61/35/639726135.db2.gz WGRZTXVWLZDCBD-IVZWLZJFSA-N 2 0 229.324 -0.576 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@H](O)C[NH3+] ZINC000911685825 639725317 /nfs/dbraw/zinc/72/53/17/639725317.db2.gz WGRZTXVWLZDCBD-LPEHRKFASA-N 2 0 229.324 -0.576 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911685884 639725222 /nfs/dbraw/zinc/72/52/22/639725222.db2.gz VMULPDJXDIFBCZ-JTQLQIEISA-N 2 0 228.340 -0.994 20 0 BBADRP CC[NH2+]CCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911685885 639726040 /nfs/dbraw/zinc/72/60/40/639726040.db2.gz VMULPDJXDIFBCZ-SNVBAGLBSA-N 2 0 228.340 -0.994 20 0 BBADRP C[NH2+]Cc1cccc(NC(=O)CNCC[NH3+])c1 ZINC000911689176 639727987 /nfs/dbraw/zinc/72/79/87/639727987.db2.gz YVBPMGPMYQNWTD-UHFFFAOYSA-N 2 0 236.319 -0.107 20 0 BBADRP CN(C(=O)[C@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC000911693046 639727207 /nfs/dbraw/zinc/72/72/07/639727207.db2.gz YVCPUMHNKQQYKS-LLVKDONJSA-N 2 0 240.351 -0.900 20 0 BBADRP CN(C(=O)[C@@H]1C[NH2+]CCN1C)C1CC[NH2+]CC1 ZINC000911693047 639728424 /nfs/dbraw/zinc/72/84/24/639728424.db2.gz YVCPUMHNKQQYKS-NSHDSACASA-N 2 0 240.351 -0.900 20 0 BBADRP CC(C)(C[NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000911693206 639728589 /nfs/dbraw/zinc/72/85/89/639728589.db2.gz GBPVOUHTNZLSLR-UHFFFAOYSA-N 2 0 242.367 -0.617 20 0 BBADRP C[NH+](C)C1(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000911694758 639730823 /nfs/dbraw/zinc/73/08/23/639730823.db2.gz CLWCMJLFQQKDLF-UHFFFAOYSA-N 2 0 240.351 -0.898 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911694925 639730961 /nfs/dbraw/zinc/73/09/61/639730961.db2.gz GPEUBGQEYQIZDG-NGZCFLSTSA-N 2 0 209.293 -0.536 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911694926 639731465 /nfs/dbraw/zinc/73/14/65/639731465.db2.gz GPEUBGQEYQIZDG-QXEWZRGKSA-N 2 0 209.293 -0.536 20 0 BBADRP C[NH2+]C1(C(=O)NCCN2CC[NH2+]CC2)CCC1 ZINC000911695558 639729957 /nfs/dbraw/zinc/72/99/57/639729957.db2.gz MRVQNJLVJIQTAV-UHFFFAOYSA-N 2 0 240.351 -0.850 20 0 BBADRP [NH3+][C@@H]1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2)[C@H]2C[C@H]21 ZINC000911695814 639731641 /nfs/dbraw/zinc/73/16/41/639731641.db2.gz QECWLIWYHGMBIH-MQIGXGKASA-N 2 0 209.293 -0.552 20 0 BBADRP C[NH2+]C1CC(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000911695891 639729988 /nfs/dbraw/zinc/72/99/88/639729988.db2.gz RIVMOXCMFSRURE-UHFFFAOYSA-N 2 0 240.351 -0.994 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)C12CCC(CC1)[NH2+]2 ZINC000911697833 639732634 /nfs/dbraw/zinc/73/26/34/639732634.db2.gz FIPBVBSLBHSJMF-INWMGODYSA-N 2 0 209.293 -0.251 20 0 BBADRP C[NH+]1CCC(OCC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000911698169 639732540 /nfs/dbraw/zinc/73/25/40/639732540.db2.gz GMYRYBHXEUTEBM-JTQLQIEISA-N 2 0 241.335 -0.425 20 0 BBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000911698170 639732408 /nfs/dbraw/zinc/73/24/08/639732408.db2.gz GMYRYBHXEUTEBM-SNVBAGLBSA-N 2 0 241.335 -0.425 20 0 BBADRP [NH3+]CCCSCCC(=O)N[C@H]1CC[NH2+]C1 ZINC000911698477 639733737 /nfs/dbraw/zinc/73/37/37/639733737.db2.gz JBUODULKPMVEKF-VIFPVBQESA-N 2 0 231.365 -0.063 20 0 BBADRP CSCC[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000911698772 639732717 /nfs/dbraw/zinc/73/27/17/639732717.db2.gz JVSRVLGCMSMXIJ-DTWKUNHWSA-N 2 0 231.365 -0.065 20 0 BBADRP CSCC[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1 ZINC000911698773 639733810 /nfs/dbraw/zinc/73/38/10/639733810.db2.gz JVSRVLGCMSMXIJ-IUCAKERBSA-N 2 0 231.365 -0.065 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000911699062 639733463 /nfs/dbraw/zinc/73/34/63/639733463.db2.gz OUGWQVPHICUKRU-BBBLOLIVSA-N 2 0 211.309 -0.290 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000911699063 639732204 /nfs/dbraw/zinc/73/22/04/639732204.db2.gz OUGWQVPHICUKRU-OPRDCNLKSA-N 2 0 211.309 -0.290 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911699283 639732227 /nfs/dbraw/zinc/73/22/27/639732227.db2.gz PCHWUKMYFFYRFX-FOGDFJRCSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911699284 639732460 /nfs/dbraw/zinc/73/24/60/639732460.db2.gz PCHWUKMYFFYRFX-SCVCMEIPSA-N 2 0 239.319 -0.909 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911699361 639733540 /nfs/dbraw/zinc/73/35/40/639733540.db2.gz QSXAIHLFVBKGSD-AXTSPUMRSA-N 2 0 209.293 -0.395 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911699362 639733757 /nfs/dbraw/zinc/73/37/57/639733757.db2.gz QSXAIHLFVBKGSD-SGIHWFKDSA-N 2 0 209.293 -0.395 20 0 BBADRP O=C(N[C@@H]1CC[NH2+]C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911699762 639718119 /nfs/dbraw/zinc/71/81/19/639718119.db2.gz UDDMYBVXFRTCJS-KKZNHRDASA-N 2 0 209.293 -0.393 20 0 BBADRP O=C(N[C@H]1CC[NH2+]C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911699763 639717584 /nfs/dbraw/zinc/71/75/84/639717584.db2.gz UDDMYBVXFRTCJS-YWVKMMECSA-N 2 0 209.293 -0.393 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911703133 639757454 /nfs/dbraw/zinc/75/74/54/639757454.db2.gz BQHGQAIDBRESDR-GUBZILKMSA-N 2 0 211.309 -0.303 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911703134 639757288 /nfs/dbraw/zinc/75/72/88/639757288.db2.gz BQHGQAIDBRESDR-UTLUCORTSA-N 2 0 211.309 -0.303 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911704068 639757839 /nfs/dbraw/zinc/75/78/39/639757839.db2.gz OSGCTTAKJRDTIY-GHMZBOCLSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911704070 639758570 /nfs/dbraw/zinc/75/85/70/639758570.db2.gz OSGCTTAKJRDTIY-MNOVXSKESA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911704071 639757963 /nfs/dbraw/zinc/75/79/63/639757963.db2.gz OSGCTTAKJRDTIY-QWRGUYRKSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911704073 639758161 /nfs/dbraw/zinc/75/81/61/639758161.db2.gz OSGCTTAKJRDTIY-WDEREUQCSA-N 2 0 240.351 -0.994 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911704597 639757662 /nfs/dbraw/zinc/75/76/62/639757662.db2.gz WHTRIYPJONEWEY-USZNOCQGSA-N 2 0 237.347 -0.042 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911704598 639758213 /nfs/dbraw/zinc/75/82/13/639758213.db2.gz WHTRIYPJONEWEY-WHOHXGKFSA-N 2 0 237.347 -0.042 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911704599 639757601 /nfs/dbraw/zinc/75/76/01/639757601.db2.gz WHTRIYPJONEWEY-WISYIIOYSA-N 2 0 237.347 -0.042 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911704600 639758121 /nfs/dbraw/zinc/75/81/21/639758121.db2.gz WHTRIYPJONEWEY-WYUUTHIRSA-N 2 0 237.347 -0.042 20 0 BBADRP [NH3+]C[C@@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911706334 639760364 /nfs/dbraw/zinc/76/03/64/639760364.db2.gz FMBPVUDXMUPKJT-BMQDGWLCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C[C@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911706336 639760451 /nfs/dbraw/zinc/76/04/51/639760451.db2.gz FMBPVUDXMUPKJT-GRZMOONWSA-N 2 0 223.320 -0.064 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000911708659 639760037 /nfs/dbraw/zinc/76/00/37/639760037.db2.gz YAFVGWRWGMNGRP-BMQDGWLCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000911708661 639759981 /nfs/dbraw/zinc/75/99/81/639759981.db2.gz YAFVGWRWGMNGRP-GRZMOONWSA-N 2 0 223.320 -0.146 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712786 639739691 /nfs/dbraw/zinc/73/96/91/639739691.db2.gz DMQQGLDSXNVXIH-GHMZBOCLSA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712791 639739042 /nfs/dbraw/zinc/73/90/42/639739042.db2.gz DMQQGLDSXNVXIH-MNOVXSKESA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712794 639740423 /nfs/dbraw/zinc/74/04/23/639740423.db2.gz DMQQGLDSXNVXIH-QWRGUYRKSA-N 2 0 240.351 -0.852 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712797 639739940 /nfs/dbraw/zinc/73/99/40/639739940.db2.gz DMQQGLDSXNVXIH-WDEREUQCSA-N 2 0 240.351 -0.852 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713196 639740222 /nfs/dbraw/zinc/74/02/22/639740222.db2.gz GNADLMAIXAROBV-AEJSXWLSSA-N 2 0 211.309 -0.161 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713197 639738824 /nfs/dbraw/zinc/73/88/24/639738824.db2.gz GNADLMAIXAROBV-GUBZILKMSA-N 2 0 211.309 -0.161 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911714101 639740007 /nfs/dbraw/zinc/74/00/07/639740007.db2.gz NTSGWRSVPXSCKK-GHMZBOCLSA-N 2 0 240.351 -0.770 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911714102 639740405 /nfs/dbraw/zinc/74/04/05/639740405.db2.gz NTSGWRSVPXSCKK-MNOVXSKESA-N 2 0 240.351 -0.770 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000911714103 639739624 /nfs/dbraw/zinc/73/96/24/639739624.db2.gz NTSGWRSVPXSCKK-QWRGUYRKSA-N 2 0 240.351 -0.770 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000911714104 639739584 /nfs/dbraw/zinc/73/95/84/639739584.db2.gz NTSGWRSVPXSCKK-WDEREUQCSA-N 2 0 240.351 -0.770 20 0 BBADRP O=C(NC[C@H]1CCCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000911714605 639741600 /nfs/dbraw/zinc/74/16/00/639741600.db2.gz QZYWZYWMUNTMKH-SQLBVSGCSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000911714606 639741309 /nfs/dbraw/zinc/74/13/09/639741309.db2.gz QZYWZYWMUNTMKH-YZRBJQDESA-N 2 0 223.320 -0.003 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC000911715459 711819532 /nfs/dbraw/zinc/81/95/32/711819532.db2.gz XJROONASPFQWET-CKYFFXLPSA-N 2 0 241.335 -0.642 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@@H](O)C[NH2+]1 ZINC000911715460 711819444 /nfs/dbraw/zinc/81/94/44/711819444.db2.gz XJROONASPFQWET-HOSYDEDBSA-N 2 0 241.335 -0.642 20 0 BBADRP C[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H](O)C[NH2+]1 ZINC000911715461 711819376 /nfs/dbraw/zinc/81/93/76/711819376.db2.gz XJROONASPFQWET-JBLDHEPKSA-N 2 0 241.335 -0.642 20 0 BBADRP C[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)C[C@H](O)C[NH2+]1 ZINC000911715462 711819554 /nfs/dbraw/zinc/81/95/54/711819554.db2.gz XJROONASPFQWET-JFGNBEQYSA-N 2 0 241.335 -0.642 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911719176 639742436 /nfs/dbraw/zinc/74/24/36/639742436.db2.gz CVTIATJGSRAABI-CMPLNLGQSA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911719177 639743277 /nfs/dbraw/zinc/74/32/77/639743277.db2.gz CVTIATJGSRAABI-JQWIXIFHSA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911719179 639744156 /nfs/dbraw/zinc/74/41/56/639744156.db2.gz CVTIATJGSRAABI-PWSUYJOCSA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911719180 639743392 /nfs/dbraw/zinc/74/33/92/639743392.db2.gz CVTIATJGSRAABI-ZYHUDNBSSA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911719268 639742655 /nfs/dbraw/zinc/74/26/55/639742655.db2.gz FCPOMQPZOANRGC-CHWFTXMASA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911719270 639744114 /nfs/dbraw/zinc/74/41/14/639744114.db2.gz FCPOMQPZOANRGC-VLEAKVRGSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911719272 639741831 /nfs/dbraw/zinc/74/18/31/639741831.db2.gz FCPOMQPZOANRGC-ZNSHCXBVSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911719274 639743259 /nfs/dbraw/zinc/74/32/59/639743259.db2.gz FCPOMQPZOANRGC-ZRUFSTJUSA-N 2 0 223.320 -0.338 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911721376 639745681 /nfs/dbraw/zinc/74/56/81/639745681.db2.gz LLJMBCKTWMUFQU-AEJSXWLSSA-N 2 0 211.309 -0.079 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000911721377 639744499 /nfs/dbraw/zinc/74/44/99/639744499.db2.gz LLJMBCKTWMUFQU-GUBZILKMSA-N 2 0 211.309 -0.079 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)CC1CC([NH3+])C1 ZINC000911721847 639746104 /nfs/dbraw/zinc/74/61/04/639746104.db2.gz MFHZTNUQSFINOR-IDKOKCKLSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)CC1CC([NH3+])C1 ZINC000911721849 639745824 /nfs/dbraw/zinc/74/58/24/639745824.db2.gz MFHZTNUQSFINOR-XNWIYYODSA-N 2 0 211.309 -0.066 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911721929 639746266 /nfs/dbraw/zinc/74/62/66/639746266.db2.gz NLSDBPMPHZNGFW-DTWKUNHWSA-N 2 0 231.365 -0.113 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000911721934 639745353 /nfs/dbraw/zinc/74/53/53/639745353.db2.gz NLSDBPMPHZNGFW-RKDXNWHRSA-N 2 0 231.365 -0.113 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000911722098 639746152 /nfs/dbraw/zinc/74/61/52/639746152.db2.gz PSGVUNJJXOKMSH-IDKOKCKLSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000911722099 639745273 /nfs/dbraw/zinc/74/52/73/639745273.db2.gz PSGVUNJJXOKMSH-XNWIYYODSA-N 2 0 211.309 -0.195 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911722724 639744449 /nfs/dbraw/zinc/74/44/49/639744449.db2.gz VQHPVRLDAJXFOB-HWUMTFDVSA-N 2 0 223.320 -0.210 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911722725 639745588 /nfs/dbraw/zinc/74/55/88/639745588.db2.gz VQHPVRLDAJXFOB-NZFPMDFQSA-N 2 0 223.320 -0.210 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911723436 639750113 /nfs/dbraw/zinc/75/01/13/639750113.db2.gz CIDATRWKUJJORU-LMLFDSFASA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911723437 639747846 /nfs/dbraw/zinc/74/78/46/639747846.db2.gz CIDATRWKUJJORU-UKKRHICBSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C(=O)Cc1ncc[nH]1 ZINC000911724026 639747019 /nfs/dbraw/zinc/74/70/19/639747019.db2.gz KRZSKIFNJWFDRD-MRVPVSSYSA-N 2 0 208.265 -0.228 20 0 BBADRP C[C@H]1C[NH2+]CCN1C(=O)Cc1ncc[nH]1 ZINC000911724027 639748932 /nfs/dbraw/zinc/74/89/32/639748932.db2.gz KRZSKIFNJWFDRD-QMMMGPOBSA-N 2 0 208.265 -0.228 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911730020 639783668 /nfs/dbraw/zinc/78/36/68/639783668.db2.gz MUNCXWNJSKZTQC-QXEWZRGKSA-N 2 0 209.293 -0.454 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911730429 639784307 /nfs/dbraw/zinc/78/43/07/639784307.db2.gz OBAOEROYBWIMLS-JXUBOQSCSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911730430 639784455 /nfs/dbraw/zinc/78/44/55/639784455.db2.gz OBAOEROYBWIMLS-QCLAVDOMSA-N 2 0 209.293 -0.599 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911733881 639788521 /nfs/dbraw/zinc/78/85/21/639788521.db2.gz DFLXVBOYUAEWLA-NHCYSSNCSA-N 2 0 223.320 -0.207 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911733882 639787939 /nfs/dbraw/zinc/78/79/39/639787939.db2.gz DFLXVBOYUAEWLA-SCVCMEIPSA-N 2 0 223.320 -0.207 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911735333 639763094 /nfs/dbraw/zinc/76/30/94/639763094.db2.gz JXMBZSBIZWNMKD-SQLBVSGCSA-N 2 0 223.320 -0.051 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911735334 639763126 /nfs/dbraw/zinc/76/31/26/639763126.db2.gz JXMBZSBIZWNMKD-YZRBJQDESA-N 2 0 223.320 -0.051 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC000911736720 639761595 /nfs/dbraw/zinc/76/15/95/639761595.db2.gz MZLGIBUVFQAJLE-GHMZBOCLSA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC000911736721 639762622 /nfs/dbraw/zinc/76/26/22/639762622.db2.gz MZLGIBUVFQAJLE-MNOVXSKESA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC000911736722 639763100 /nfs/dbraw/zinc/76/31/00/639763100.db2.gz MZLGIBUVFQAJLE-QWRGUYRKSA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC000911736723 639762112 /nfs/dbraw/zinc/76/21/12/639762112.db2.gz MZLGIBUVFQAJLE-WDEREUQCSA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C1 ZINC000911736758 639763059 /nfs/dbraw/zinc/76/30/59/639763059.db2.gz NXCASFSCVBXAJL-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C1 ZINC000911736759 639762269 /nfs/dbraw/zinc/76/22/69/639762269.db2.gz NXCASFSCVBXAJL-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC000911737593 639764253 /nfs/dbraw/zinc/76/42/53/639764253.db2.gz WLCZXGNLTIVMOK-CKYFFXLPSA-N 2 0 241.335 -0.690 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C1 ZINC000911737594 639764545 /nfs/dbraw/zinc/76/45/45/639764545.db2.gz WLCZXGNLTIVMOK-FOGDFJRCSA-N 2 0 241.335 -0.690 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC000911737595 639765320 /nfs/dbraw/zinc/76/53/20/639765320.db2.gz WLCZXGNLTIVMOK-JFGNBEQYSA-N 2 0 241.335 -0.690 20 0 BBADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C1 ZINC000911737596 639765045 /nfs/dbraw/zinc/76/50/45/639765045.db2.gz WLCZXGNLTIVMOK-SCVCMEIPSA-N 2 0 241.335 -0.690 20 0 BBADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000911737847 639763634 /nfs/dbraw/zinc/76/36/34/639763634.db2.gz CUMYTOYVOVVJGD-SECBINFHSA-N 2 0 211.309 -0.112 20 0 BBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000911737849 639764703 /nfs/dbraw/zinc/76/47/03/639764703.db2.gz CUMYTOYVOVVJGD-VIFPVBQESA-N 2 0 211.309 -0.112 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911738130 639765421 /nfs/dbraw/zinc/76/54/21/639765421.db2.gz GVDZUTWNCBXZOQ-YWVKMMECSA-N 2 0 209.293 -0.312 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000911738898 639765491 /nfs/dbraw/zinc/76/54/91/639765491.db2.gz NSKHLCKYYAHZSF-IDKOKCKLSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000911738899 639764038 /nfs/dbraw/zinc/76/40/38/639764038.db2.gz NSKHLCKYYAHZSF-XNWIYYODSA-N 2 0 211.309 -0.208 20 0 BBADRP [NH3+]C[C@H]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911739152 639764532 /nfs/dbraw/zinc/76/45/32/639764532.db2.gz QYWMVWANCBHTMJ-FOGDFJRCSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+]C[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911739153 639765325 /nfs/dbraw/zinc/76/53/25/639765325.db2.gz QYWMVWANCBHTMJ-UMNHJUIQSA-N 2 0 223.320 -0.064 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC000911739184 639764414 /nfs/dbraw/zinc/76/44/14/639764414.db2.gz RUSIYPPRNLTCJU-SCVCMEIPSA-N 2 0 239.319 -0.828 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911739326 639764195 /nfs/dbraw/zinc/76/41/95/639764195.db2.gz UURXTLCQRNLCAL-SILCLGDVSA-N 2 0 209.293 -0.169 20 0 BBADRP [NH3+][C@H]1CCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911739537 639766736 /nfs/dbraw/zinc/76/67/36/639766736.db2.gz XNLPRRGDWFECBO-JTQLQIEISA-N 2 0 209.293 -0.144 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)c1ccn(CCC[NH3+])n1 ZINC000911739949 639767195 /nfs/dbraw/zinc/76/71/95/639767195.db2.gz DXVUZCBPRJRFBD-VIFPVBQESA-N 2 0 239.323 -0.301 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)COC1CC[NH+](C)CC1 ZINC000911740047 639766660 /nfs/dbraw/zinc/76/66/60/639766660.db2.gz GVBIEJDFIWXHKE-JTQLQIEISA-N 2 0 243.351 -0.049 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911740875 639768121 /nfs/dbraw/zinc/76/81/21/639768121.db2.gz OZKDDCQPHRLIMM-JXUBOQSCSA-N 2 0 211.309 -0.305 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911740876 639768636 /nfs/dbraw/zinc/76/86/36/639768636.db2.gz OZKDDCQPHRLIMM-QCLAVDOMSA-N 2 0 211.309 -0.305 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911741142 639769025 /nfs/dbraw/zinc/76/90/25/639769025.db2.gz PZMWHBJEQLTBDG-GXSJLCMTSA-N 2 0 229.324 -0.656 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911741145 639769507 /nfs/dbraw/zinc/76/95/07/639769507.db2.gz PZMWHBJEQLTBDG-ONGXEEELSA-N 2 0 229.324 -0.656 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911741423 639769158 /nfs/dbraw/zinc/76/91/58/639769158.db2.gz RSSHWUFKCJQMRR-LRPJSKTQSA-N 2 0 211.309 -0.177 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911741944 639768777 /nfs/dbraw/zinc/76/87/77/639768777.db2.gz WXJJGPMQQQVSAA-NGZCFLSTSA-N 2 0 211.309 -0.018 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911741949 639768723 /nfs/dbraw/zinc/76/87/23/639768723.db2.gz WZKKZGONLMMXTB-QXEWZRGKSA-N 2 0 211.309 -0.161 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911742130 639768829 /nfs/dbraw/zinc/76/88/29/639768829.db2.gz ZMUHPUGEABZVLT-AXTSPUMRSA-N 2 0 211.309 -0.020 20 0 BBADRP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911745203 639771457 /nfs/dbraw/zinc/77/14/57/639771457.db2.gz NMRRSFQWYOJQPX-UMNHJUIQSA-N 2 0 241.335 -0.534 20 0 BBADRP C[NH2+]CCNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911745464 639770959 /nfs/dbraw/zinc/77/09/59/639770959.db2.gz PIQNCUBNJZWDPK-LLVKDONJSA-N 2 0 240.307 -0.780 20 0 BBADRP C[NH2+]CCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911745467 639770516 /nfs/dbraw/zinc/77/05/16/639770516.db2.gz PIQNCUBNJZWDPK-NSHDSACASA-N 2 0 240.307 -0.780 20 0 BBADRP C[NH2+]CCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911747332 639773428 /nfs/dbraw/zinc/77/34/28/639773428.db2.gz ZVMDHTUHUZZMBT-UHFFFAOYSA-N 2 0 240.307 -0.780 20 0 BBADRP C[NH2+]CCNC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC000911747440 639773794 /nfs/dbraw/zinc/77/37/94/639773794.db2.gz GOQBEPTYHUWMRH-UHFFFAOYSA-N 2 0 247.302 -0.258 20 0 BBADRP C[NH2+]CCNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911748078 639773504 /nfs/dbraw/zinc/77/35/04/639773504.db2.gz JPGIEMNGXKQKPH-UHFFFAOYSA-N 2 0 234.303 -0.324 20 0 BBADRP C[NH2+]CCNC(=O)CCSCCC[NH3+] ZINC000911749063 639774838 /nfs/dbraw/zinc/77/48/38/639774838.db2.gz VSHWENJGVXXQFX-UHFFFAOYSA-N 2 0 219.354 -0.206 20 0 BBADRP C[NH2+]CCNC(=O)C[C@@H]([NH3+])CCSC ZINC000911749192 639775309 /nfs/dbraw/zinc/77/53/09/639775309.db2.gz YBNOVHAJXCJEOR-QMMMGPOBSA-N 2 0 219.354 -0.208 20 0 BBADRP C[NH2+]CCNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911749259 639775573 /nfs/dbraw/zinc/77/55/73/639775573.db2.gz ZXGQPAFQMOTREZ-UHFFFAOYSA-N 2 0 235.278 -0.043 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911750425 639774877 /nfs/dbraw/zinc/77/48/77/639774877.db2.gz CAMJIZWABJHMJJ-CHWFTXMASA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911750426 639775141 /nfs/dbraw/zinc/77/51/41/639775141.db2.gz CAMJIZWABJHMJJ-VLEAKVRGSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911750428 639774619 /nfs/dbraw/zinc/77/46/19/639774619.db2.gz CAMJIZWABJHMJJ-ZNSHCXBVSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911750430 639775601 /nfs/dbraw/zinc/77/56/01/639775601.db2.gz CAMJIZWABJHMJJ-ZRUFSTJUSA-N 2 0 223.320 -0.290 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911750546 639776859 /nfs/dbraw/zinc/77/68/59/639776859.db2.gz LPLUZESUQJEMJB-NXEZZACHSA-N 2 0 213.325 -0.042 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911750573 639776468 /nfs/dbraw/zinc/77/64/68/639776468.db2.gz MDOQRLBEBGHMOF-KXUCPTDWSA-N 2 0 211.309 -0.432 20 0 BBADRP CC[NH2+]CCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911750575 639777578 /nfs/dbraw/zinc/77/75/78/639777578.db2.gz MDOQRLBEBGHMOF-UTLUCORTSA-N 2 0 211.309 -0.432 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911750598 639777935 /nfs/dbraw/zinc/77/79/35/639777935.db2.gz MHNLWJMXQMGAGH-PWSUYJOCSA-N 2 0 241.335 -0.662 20 0 BBADRP CC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC000911750599 639777477 /nfs/dbraw/zinc/77/74/77/639777477.db2.gz MJGYGVXJWCZFFN-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP C[NH2+]C1(C(=O)NC[C@H]2CCC[NH2+]2)CCC1 ZINC000911750958 639777585 /nfs/dbraw/zinc/77/75/85/639777585.db2.gz HFJDGVURVWANSD-SECBINFHSA-N 2 0 211.309 -0.003 20 0 BBADRP C[NH2+]C1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC1 ZINC000911750960 639777503 /nfs/dbraw/zinc/77/75/03/639777503.db2.gz HFJDGVURVWANSD-VIFPVBQESA-N 2 0 211.309 -0.003 20 0 BBADRP CC[NH2+]CCNC(=O)c1ccn(CCC[NH3+])n1 ZINC000911750968 639777425 /nfs/dbraw/zinc/77/74/25/639777425.db2.gz RGNNOPJTFBCXBS-UHFFFAOYSA-N 2 0 239.323 -0.429 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911750972 639776778 /nfs/dbraw/zinc/77/67/78/639776778.db2.gz RLPDKMWQPJECER-LLVKDONJSA-N 2 0 229.324 -0.783 20 0 BBADRP CC[NH2+]CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911750974 639777767 /nfs/dbraw/zinc/77/77/67/639777767.db2.gz RLPDKMWQPJECER-NSHDSACASA-N 2 0 229.324 -0.783 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911751101 639776830 /nfs/dbraw/zinc/77/68/30/639776830.db2.gz ILCCJTVQJQQTHQ-ONGXEEELSA-N 2 0 211.309 -0.288 20 0 BBADRP CC[NH2+]CCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911751236 639777753 /nfs/dbraw/zinc/77/77/53/639777753.db2.gz UNQLUDRFKHNGLQ-KOLCDFICSA-N 2 0 211.309 -0.146 20 0 BBADRP CC[NH2+]CCNC(=O)C12CCC(CC1)[NH2+]2 ZINC000911751320 639777101 /nfs/dbraw/zinc/77/71/01/639777101.db2.gz WKKNJYCAKRSUDE-UHFFFAOYSA-N 2 0 211.309 -0.003 20 0 BBADRP CC[NH2+]CCNC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC000911751373 639777676 /nfs/dbraw/zinc/77/76/76/639777676.db2.gz ZCNGZZMPPAUTNT-JTQLQIEISA-N 2 0 243.351 -0.144 20 0 BBADRP CC[NH2+]CCNC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC000911751374 639777725 /nfs/dbraw/zinc/77/77/25/639777725.db2.gz ZCNGZZMPPAUTNT-SNVBAGLBSA-N 2 0 243.351 -0.144 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911751384 639777575 /nfs/dbraw/zinc/77/75/75/639777575.db2.gz ZTWKVQCMJHXIBL-IVZWLZJFSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911752130 639779643 /nfs/dbraw/zinc/77/96/43/639779643.db2.gz LFVXOEZSJGSAIP-HBNTYKKESA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000911752272 639780028 /nfs/dbraw/zinc/78/00/28/639780028.db2.gz SXFVQMCHHZPFPU-CMPLNLGQSA-N 2 0 241.335 -0.641 20 0 BBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000911752273 639779240 /nfs/dbraw/zinc/77/92/40/639779240.db2.gz SXFVQMCHHZPFPU-JQWIXIFHSA-N 2 0 241.335 -0.641 20 0 BBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000911752274 639779112 /nfs/dbraw/zinc/77/91/12/639779112.db2.gz SXFVQMCHHZPFPU-PWSUYJOCSA-N 2 0 241.335 -0.641 20 0 BBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000911752275 639780118 /nfs/dbraw/zinc/78/01/18/639780118.db2.gz SXFVQMCHHZPFPU-ZYHUDNBSSA-N 2 0 241.335 -0.641 20 0 BBADRP [NH3+]C1CC(CC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000911752288 639780192 /nfs/dbraw/zinc/78/01/92/639780192.db2.gz UIQGEABSBZFACN-RTBKNWGFSA-N 2 0 211.309 -0.018 20 0 BBADRP [NH3+]C1CC(CC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000911752289 639778965 /nfs/dbraw/zinc/77/89/65/639778965.db2.gz UIQGEABSBZFACN-UDNWOFFPSA-N 2 0 211.309 -0.018 20 0 BBADRP C[NH2+]C1CC(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000911752635 639781377 /nfs/dbraw/zinc/78/13/77/639781377.db2.gz XJOWSYDXWPEIJY-HWOCKDDLSA-N 2 0 211.309 -0.147 20 0 BBADRP C[NH2+]C1CC(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000911752636 639780773 /nfs/dbraw/zinc/78/07/73/639780773.db2.gz XJOWSYDXWPEIJY-KYHHOPLUSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911752707 639781722 /nfs/dbraw/zinc/78/17/22/639781722.db2.gz SCDLTNUWJLJNBT-SKDRFNHKSA-N 2 0 223.320 -0.003 20 0 BBADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911752899 639782043 /nfs/dbraw/zinc/78/20/43/639782043.db2.gz ZFNVEISYEFVDLB-RGOKHQFPSA-N 2 0 211.309 -0.305 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911753490 639781507 /nfs/dbraw/zinc/78/15/07/639781507.db2.gz DUOOCKWXPQOGCF-LNFKQOIKSA-N 2 0 223.320 -0.005 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911753491 639782682 /nfs/dbraw/zinc/78/26/82/639782682.db2.gz DUOOCKWXPQOGCF-UKKRHICBSA-N 2 0 223.320 -0.005 20 0 BBADRP [NH3+][C@@H]1C[C@H](C(=O)NC[C@H]2CCC[NH2+]2)[C@H]2C[C@H]21 ZINC000911753716 639781914 /nfs/dbraw/zinc/78/19/14/639781914.db2.gz FMAPALNVGJFGNO-NZHYYXIDSA-N 2 0 223.320 -0.162 20 0 BBADRP [NH3+][C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)[C@H]2C[C@H]21 ZINC000911753717 639781148 /nfs/dbraw/zinc/78/11/48/639781148.db2.gz FMAPALNVGJFGNO-QUARPLMYSA-N 2 0 223.320 -0.162 20 0 BBADRP [NH3+]C1CC(CC(=O)NCC[NH2+]C2CC2)C1 ZINC000911753754 639782224 /nfs/dbraw/zinc/78/22/24/639782224.db2.gz GRSNDTYEHJSVJR-UHFFFAOYSA-N 2 0 211.309 -0.018 20 0 BBADRP O=C(NCC[NH2+]C1CC1)C12CC(C1)C[NH2+]2 ZINC000911753755 639780658 /nfs/dbraw/zinc/78/06/58/639780658.db2.gz GSZXEIPFODUHDT-UHFFFAOYSA-N 2 0 209.293 -0.393 20 0 BBADRP C[NH2+]C1(C(=O)NCC[NH2+]C2CC2)CCC1 ZINC000911754130 639784148 /nfs/dbraw/zinc/78/41/48/639784148.db2.gz ITHKQLFWHUEYSH-UHFFFAOYSA-N 2 0 211.309 -0.003 20 0 BBADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000911754185 639783899 /nfs/dbraw/zinc/78/38/99/639783899.db2.gz JRTZBOMCISOROV-GFCCVEGCSA-N 2 0 241.335 -0.641 20 0 BBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000911754186 639783382 /nfs/dbraw/zinc/78/33/82/639783382.db2.gz JRTZBOMCISOROV-LBPRGKRZSA-N 2 0 241.335 -0.641 20 0 BBADRP [NH3+][C@@H]1C[C@H](C(=O)NCC[NH2+]C2CC2)[C@H]2C[C@H]21 ZINC000911754704 639784099 /nfs/dbraw/zinc/78/40/99/639784099.db2.gz MVVCQOCOQKTULD-ZRUFSTJUSA-N 2 0 223.320 -0.162 20 0 BBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000911754734 639784324 /nfs/dbraw/zinc/78/43/24/639784324.db2.gz NINUGXRSIHMCGH-UHFFFAOYSA-N 2 0 211.309 -0.051 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911755208 639783523 /nfs/dbraw/zinc/78/35/23/639783523.db2.gz PWTNVMIWSONJFT-NHCYSSNCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911755209 639784375 /nfs/dbraw/zinc/78/43/75/639784375.db2.gz PWTNVMIWSONJFT-UMNHJUIQSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911755218 639784161 /nfs/dbraw/zinc/78/41/61/639784161.db2.gz QAVLOHFCBSTXCK-FOGDFJRCSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911755219 639784859 /nfs/dbraw/zinc/78/48/59/639784859.db2.gz QAVLOHFCBSTXCK-SCVCMEIPSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C(NC[C@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000911755629 639784867 /nfs/dbraw/zinc/78/48/67/639784867.db2.gz SPXMIADCDOTSPC-INWMGODYSA-N 2 0 209.293 -0.393 20 0 BBADRP O=C(NC[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000911755630 639784961 /nfs/dbraw/zinc/78/49/61/639784961.db2.gz SPXMIADCDOTSPC-YUCVTWSNSA-N 2 0 209.293 -0.393 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911755640 639785074 /nfs/dbraw/zinc/78/50/74/639785074.db2.gz STFYYWSJJSIPQV-OUAUKWLOSA-N 2 0 223.320 -0.290 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911755641 639783918 /nfs/dbraw/zinc/78/39/18/639783918.db2.gz STFYYWSJJSIPQV-VWYCJHECSA-N 2 0 223.320 -0.290 20 0 BBADRP C[NH2+]C1CC(C(=O)NCC[NH2+]C2CC2)C1 ZINC000911756072 639774819 /nfs/dbraw/zinc/77/48/19/639774819.db2.gz XBNMZCOTRLLPIB-UHFFFAOYSA-N 2 0 211.309 -0.147 20 0 BBADRP O=C(NCC[NH2+]C1CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911756321 639769684 /nfs/dbraw/zinc/76/96/84/639769684.db2.gz ZDJIRBJMSWJCMT-CABZTGNLSA-N 2 0 223.320 -0.146 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911761506 639802377 /nfs/dbraw/zinc/80/23/77/639802377.db2.gz BZOKRFZFFQIQTJ-XAVMHZPKSA-N 2 0 211.309 -0.177 20 0 BBADRP CC(C)(C[NH3+])NC(=O)c1ccn(CCC[NH3+])n1 ZINC000911761557 639802503 /nfs/dbraw/zinc/80/25/03/639802503.db2.gz CZGLWAZHMDUDGR-UHFFFAOYSA-N 2 0 239.323 -0.301 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911762474 639789187 /nfs/dbraw/zinc/78/91/87/639789187.db2.gz OSNNNTCKXHWECF-HRDYMLBCSA-N 2 0 211.309 -0.305 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911762476 639788702 /nfs/dbraw/zinc/78/87/02/639788702.db2.gz OSNNNTCKXHWECF-VGMNWLOBSA-N 2 0 211.309 -0.305 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000911762607 639789164 /nfs/dbraw/zinc/78/91/64/639789164.db2.gz QUDUAKWOVJWOCW-SSDOTTSWSA-N 2 0 219.354 -0.080 20 0 BBADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911762925 639788172 /nfs/dbraw/zinc/78/81/72/639788172.db2.gz SEPBIBKVESUMFV-DJLDLDEBSA-N 2 0 211.309 -0.020 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911762929 639789217 /nfs/dbraw/zinc/78/92/17/639789217.db2.gz SJDAVNCNWCEOTE-LLVKDONJSA-N 2 0 229.324 -0.656 20 0 BBADRP CC(C)(C[NH3+])NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911762930 639789036 /nfs/dbraw/zinc/78/90/36/639789036.db2.gz SJDAVNCNWCEOTE-NSHDSACASA-N 2 0 229.324 -0.656 20 0 BBADRP C[NH+]1CCC(OCC(=O)NC(C)(C)C[NH3+])CC1 ZINC000911762988 639789261 /nfs/dbraw/zinc/78/92/61/639789261.db2.gz UXILUPHRNAHNLK-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911763880 639790530 /nfs/dbraw/zinc/79/05/30/639790530.db2.gz NXRNQYNFKQYLET-CMPLNLGQSA-N 2 0 243.351 -0.396 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911763881 639791519 /nfs/dbraw/zinc/79/15/19/639791519.db2.gz NXRNQYNFKQYLET-JQWIXIFHSA-N 2 0 243.351 -0.396 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911763882 639792018 /nfs/dbraw/zinc/79/20/18/639792018.db2.gz NXRNQYNFKQYLET-PWSUYJOCSA-N 2 0 243.351 -0.396 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911763883 639791224 /nfs/dbraw/zinc/79/12/24/639791224.db2.gz NXRNQYNFKQYLET-ZYHUDNBSSA-N 2 0 243.351 -0.396 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911764154 639791870 /nfs/dbraw/zinc/79/18/70/639791870.db2.gz PRWAKHFHNPAVTR-LLVKDONJSA-N 2 0 242.367 -0.606 20 0 BBADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911764156 639790478 /nfs/dbraw/zinc/79/04/78/639790478.db2.gz PRWAKHFHNPAVTR-NSHDSACASA-N 2 0 242.367 -0.606 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911765552 639791754 /nfs/dbraw/zinc/79/17/54/639791754.db2.gz BVHKWASKHCCWMS-GHMZBOCLSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911765553 639790368 /nfs/dbraw/zinc/79/03/68/639790368.db2.gz BVHKWASKHCCWMS-MNOVXSKESA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911765554 639790585 /nfs/dbraw/zinc/79/05/85/639790585.db2.gz BVHKWASKHCCWMS-QWRGUYRKSA-N 2 0 240.351 -0.994 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911765555 639791400 /nfs/dbraw/zinc/79/14/00/639791400.db2.gz BVHKWASKHCCWMS-WDEREUQCSA-N 2 0 240.351 -0.994 20 0 BBADRP [NH3+]CCNCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911766148 639790639 /nfs/dbraw/zinc/79/06/39/639790639.db2.gz ZEFFNRZUSFUGTC-LLVKDONJSA-N 2 0 236.319 -0.649 20 0 BBADRP [NH3+]CCNCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911766165 639791607 /nfs/dbraw/zinc/79/16/07/639791607.db2.gz ZEFFNRZUSFUGTC-NSHDSACASA-N 2 0 236.319 -0.649 20 0 BBADRP CCCN(C(=O)C[C@@H](O)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000911766265 639792133 /nfs/dbraw/zinc/79/21/33/639792133.db2.gz DBIWEPMCBWEVJA-NXEZZACHSA-N 2 0 229.324 -0.703 20 0 BBADRP CCCN(C(=O)C[C@H](O)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000911766285 639791539 /nfs/dbraw/zinc/79/15/39/639791539.db2.gz DBIWEPMCBWEVJA-UWVGGRQHSA-N 2 0 229.324 -0.703 20 0 BBADRP CCCN(C(=O)C[C@@H](O)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000911766288 639791599 /nfs/dbraw/zinc/79/15/99/639791599.db2.gz DBIWEPMCBWEVJA-VHSXEESVSA-N 2 0 229.324 -0.703 20 0 BBADRP CCCN(C(=O)C[C@H](O)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000911766290 639790217 /nfs/dbraw/zinc/79/02/17/639790217.db2.gz DBIWEPMCBWEVJA-ZJUUUORDSA-N 2 0 229.324 -0.703 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911766605 639791244 /nfs/dbraw/zinc/79/12/44/639791244.db2.gz GJIMJRKOFRTIHL-USZNOCQGSA-N 2 0 237.347 -0.042 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911766606 639790663 /nfs/dbraw/zinc/79/06/63/639790663.db2.gz GJIMJRKOFRTIHL-WHOHXGKFSA-N 2 0 237.347 -0.042 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911766607 639791435 /nfs/dbraw/zinc/79/14/35/639791435.db2.gz GJIMJRKOFRTIHL-WISYIIOYSA-N 2 0 237.347 -0.042 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911766608 639790848 /nfs/dbraw/zinc/79/08/48/639790848.db2.gz GJIMJRKOFRTIHL-WYUUTHIRSA-N 2 0 237.347 -0.042 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911767590 639794588 /nfs/dbraw/zinc/79/45/88/639794588.db2.gz LMOPATSRPFPIMR-GUBZILKMSA-N 2 0 211.309 -0.303 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911767592 639792882 /nfs/dbraw/zinc/79/28/82/639792882.db2.gz LMOPATSRPFPIMR-UTLUCORTSA-N 2 0 211.309 -0.303 20 0 BBADRP O=C(NCC[C@@H]1CC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000911769921 639793842 /nfs/dbraw/zinc/79/38/42/639793842.db2.gz XDLXSUKXBNAYIQ-BMQDGWLCSA-N 2 0 223.320 -0.146 20 0 BBADRP O=C(NCC[C@H]1CC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000911769922 639794217 /nfs/dbraw/zinc/79/42/17/639794217.db2.gz XDLXSUKXBNAYIQ-GRZMOONWSA-N 2 0 223.320 -0.146 20 0 BBADRP CCCN(C(=O)CNCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000911769929 639793415 /nfs/dbraw/zinc/79/34/15/639793415.db2.gz ZYYKOBVKZRYMSM-JTQLQIEISA-N 2 0 228.340 -0.865 20 0 BBADRP CCCN(C(=O)CNCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000911769930 639793571 /nfs/dbraw/zinc/79/35/71/639793571.db2.gz ZYYKOBVKZRYMSM-SNVBAGLBSA-N 2 0 228.340 -0.865 20 0 BBADRP CN(C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000911781844 639798946 /nfs/dbraw/zinc/79/89/46/639798946.db2.gz CDLDQQHYNAYTHL-CHWFTXMASA-N 2 0 223.320 -0.338 20 0 BBADRP CN(C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000911781845 639797716 /nfs/dbraw/zinc/79/77/16/639797716.db2.gz CDLDQQHYNAYTHL-VLEAKVRGSA-N 2 0 223.320 -0.338 20 0 BBADRP CN(C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000911781846 639797107 /nfs/dbraw/zinc/79/71/07/639797107.db2.gz CDLDQQHYNAYTHL-ZNSHCXBVSA-N 2 0 223.320 -0.338 20 0 BBADRP CN(C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000911781847 639798643 /nfs/dbraw/zinc/79/86/43/639798643.db2.gz CDLDQQHYNAYTHL-ZRUFSTJUSA-N 2 0 223.320 -0.338 20 0 BBADRP CN(C(=O)C1([NH+](C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000911782191 639800349 /nfs/dbraw/zinc/80/03/49/639800349.db2.gz DPOZNVKOPPUWRO-SECBINFHSA-N 2 0 211.309 -0.099 20 0 BBADRP CN(C(=O)C1([NH+](C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000911782192 639800592 /nfs/dbraw/zinc/80/05/92/639800592.db2.gz DPOZNVKOPPUWRO-VIFPVBQESA-N 2 0 211.309 -0.099 20 0 BBADRP CN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000911782236 639799974 /nfs/dbraw/zinc/79/99/74/639799974.db2.gz FWJNXHPKIGWYNZ-CMPLNLGQSA-N 2 0 241.335 -0.689 20 0 BBADRP CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000911782237 639800572 /nfs/dbraw/zinc/80/05/72/639800572.db2.gz FWJNXHPKIGWYNZ-JQWIXIFHSA-N 2 0 241.335 -0.689 20 0 BBADRP CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000911782239 639800378 /nfs/dbraw/zinc/80/03/78/639800378.db2.gz FWJNXHPKIGWYNZ-PWSUYJOCSA-N 2 0 241.335 -0.689 20 0 BBADRP CN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000911782240 639800568 /nfs/dbraw/zinc/80/05/68/639800568.db2.gz FWJNXHPKIGWYNZ-ZYHUDNBSSA-N 2 0 241.335 -0.689 20 0 BBADRP C[NH2+]C1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000911783209 639799833 /nfs/dbraw/zinc/79/98/33/639799833.db2.gz QXBINFHZYYITRB-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]C1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCC1 ZINC000911783210 639799924 /nfs/dbraw/zinc/79/99/24/639799924.db2.gz QXBINFHZYYITRB-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]C1CC(C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000911783472 639799795 /nfs/dbraw/zinc/79/97/95/639799795.db2.gz UTPKRHUXKUSLNW-RTBKNWGFSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]C1CC(C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000911783473 639800664 /nfs/dbraw/zinc/80/06/64/639800664.db2.gz UTPKRHUXKUSLNW-UDNWOFFPSA-N 2 0 211.309 -0.195 20 0 BBADRP CN(C(=O)C12CC(C1)C[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000911787180 639805315 /nfs/dbraw/zinc/80/53/15/639805315.db2.gz HYIYFHYIDUEVGL-INWMGODYSA-N 2 0 209.293 -0.441 20 0 BBADRP CN(C(=O)C12CC(C1)C[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000911787182 639805841 /nfs/dbraw/zinc/80/58/41/639805841.db2.gz HYIYFHYIDUEVGL-YUCVTWSNSA-N 2 0 209.293 -0.441 20 0 BBADRP CN(C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000911787375 639806081 /nfs/dbraw/zinc/80/60/81/639806081.db2.gz JKCHFUHWUUGQKZ-LNFKQOIKSA-N 2 0 223.320 -0.053 20 0 BBADRP CN(C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000911787377 639805241 /nfs/dbraw/zinc/80/52/41/639805241.db2.gz JKCHFUHWUUGQKZ-UKKRHICBSA-N 2 0 223.320 -0.053 20 0 BBADRP CN(C(=O)[C@]12C[C@H]1CCC[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000911787413 639805730 /nfs/dbraw/zinc/80/57/30/639805730.db2.gz JXPOLVGOFHMTQS-FOGDFJRCSA-N 2 0 223.320 -0.051 20 0 BBADRP CN(C(=O)[C@]12C[C@H]1CCC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000911787414 639805907 /nfs/dbraw/zinc/80/59/07/639805907.db2.gz JXPOLVGOFHMTQS-SCVCMEIPSA-N 2 0 223.320 -0.051 20 0 BBADRP CN(C(=O)[C@]12CC[C@H]1C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000911787757 639805474 /nfs/dbraw/zinc/80/54/74/639805474.db2.gz LPVGPHZVOKABGM-NHCYSSNCSA-N 2 0 223.320 -0.194 20 0 BBADRP CN(C(=O)[C@]12CC[C@H]1C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000911787758 639805800 /nfs/dbraw/zinc/80/58/00/639805800.db2.gz LPVGPHZVOKABGM-UMNHJUIQSA-N 2 0 223.320 -0.194 20 0 BBADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)[C@H]1CC[NH2+]C1 ZINC000911788346 639806090 /nfs/dbraw/zinc/80/60/90/639806090.db2.gz OYACHIJBTCFEFP-HWUMTFDVSA-N 2 0 223.320 -0.210 20 0 BBADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000911788347 639805608 /nfs/dbraw/zinc/80/56/08/639805608.db2.gz OYACHIJBTCFEFP-NZFPMDFQSA-N 2 0 223.320 -0.210 20 0 BBADRP [NH3+]CCNCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911790979 639806926 /nfs/dbraw/zinc/80/69/26/639806926.db2.gz XFDMBTIDBKVEIL-UHFFFAOYSA-N 2 0 248.330 -0.181 20 0 BBADRP [NH3+]C[C@@H](O)CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911791279 639806751 /nfs/dbraw/zinc/80/67/51/639806751.db2.gz YEQMQLBMBGVJRA-JTQLQIEISA-N 2 0 249.314 -0.020 20 0 BBADRP [NH3+]C[C@H](O)CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911791280 639807398 /nfs/dbraw/zinc/80/73/98/639807398.db2.gz YEQMQLBMBGVJRA-SNVBAGLBSA-N 2 0 249.314 -0.020 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@H](C)[NH2+]1 ZINC000911795333 639819772 /nfs/dbraw/zinc/81/97/72/639819772.db2.gz JJZSTTOJYRDOIY-AXFHLTTASA-N 2 0 240.351 -0.901 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)C[C@@H](C)[NH2+]1 ZINC000911795334 639819344 /nfs/dbraw/zinc/81/93/44/639819344.db2.gz JJZSTTOJYRDOIY-GMTAPVOTSA-N 2 0 240.351 -0.901 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@@H](C)[NH2+]1 ZINC000911795335 639818903 /nfs/dbraw/zinc/81/89/03/639818903.db2.gz JJZSTTOJYRDOIY-MXWKQRLJSA-N 2 0 240.351 -0.901 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)C[C@H](C)[NH2+]1 ZINC000911795336 639818414 /nfs/dbraw/zinc/81/84/14/639818414.db2.gz JJZSTTOJYRDOIY-OUAUKWLOSA-N 2 0 240.351 -0.901 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C[C@H](C)[NH2+]1 ZINC000911796231 639808656 /nfs/dbraw/zinc/80/86/56/639808656.db2.gz MOHJSZGUMRBCLO-AXTSPUMRSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C[C@H](C)[NH2+]1 ZINC000911796232 639818704 /nfs/dbraw/zinc/81/87/04/639818704.db2.gz MOHJSZGUMRBCLO-UTINFBMNSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C[C@@H](C)[NH2+]1 ZINC000911796233 639819599 /nfs/dbraw/zinc/81/95/99/639819599.db2.gz MOHJSZGUMRBCLO-ZYUZMQFOSA-N 2 0 211.309 -0.210 20 0 BBADRP C[C@@H]1CN(C(=O)c2conc2C[NH3+])C[C@@H](C)[NH2+]1 ZINC000911796234 639819486 /nfs/dbraw/zinc/81/94/86/639819486.db2.gz MOWBRRFCQWGMJC-HTQZYQBOSA-N 2 0 238.291 -0.044 20 0 BBADRP C[C@@H]1CN(C(=O)c2conc2C[NH3+])C[C@H](C)[NH2+]1 ZINC000911796235 639818874 /nfs/dbraw/zinc/81/88/74/639818874.db2.gz MOWBRRFCQWGMJC-OCAPTIKFSA-N 2 0 238.291 -0.044 20 0 BBADRP C[C@H]1CN(C(=O)c2conc2C[NH3+])C[C@H](C)[NH2+]1 ZINC000911796236 639818363 /nfs/dbraw/zinc/81/83/63/639818363.db2.gz MOWBRRFCQWGMJC-YUMQZZPRSA-N 2 0 238.291 -0.044 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000911798014 639819210 /nfs/dbraw/zinc/81/92/10/639819210.db2.gz SUSYGFDZTGHENH-BFLSOPEQSA-N 2 0 241.335 -0.692 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000911798017 639819640 /nfs/dbraw/zinc/81/96/40/639819640.db2.gz SUSYGFDZTGHENH-KLBPJQLPSA-N 2 0 241.335 -0.692 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000911798019 639819003 /nfs/dbraw/zinc/81/90/03/639819003.db2.gz SUSYGFDZTGHENH-SVDPJWKOSA-N 2 0 241.335 -0.692 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000911798021 639819052 /nfs/dbraw/zinc/81/90/52/639819052.db2.gz SUSYGFDZTGHENH-WYFGTUCQSA-N 2 0 241.335 -0.692 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911798923 639820519 /nfs/dbraw/zinc/82/05/19/639820519.db2.gz ANNNROQMEIQGIZ-JTQLQIEISA-N 2 0 242.367 -0.476 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC000911798924 639820613 /nfs/dbraw/zinc/82/06/13/639820613.db2.gz ANNNROQMEIQGIZ-SNVBAGLBSA-N 2 0 242.367 -0.476 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000911799023 639820286 /nfs/dbraw/zinc/82/02/86/639820286.db2.gz DDYYQIPPZIBFAJ-IUCAKERBSA-N 2 0 211.309 -0.031 20 0 BBADRP C[C@@H]1CN(C(=O)C23CC(C2)C[NH2+]3)C[C@H](C)[NH2+]1 ZINC000911799036 639820748 /nfs/dbraw/zinc/82/07/48/639820748.db2.gz DJUWSXNXKXYETK-GJYTXDDASA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]1CN(C(=O)C23CC(C2)C[NH2+]3)C[C@H](C)[NH2+]1 ZINC000911799039 639820471 /nfs/dbraw/zinc/82/04/71/639820471.db2.gz DJUWSXNXKXYETK-RKVXJDFWSA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@@H]1CN(C(=O)C23CC(C2)C[NH2+]3)C[C@@H](C)[NH2+]1 ZINC000911799041 639820739 /nfs/dbraw/zinc/82/07/39/639820739.db2.gz DJUWSXNXKXYETK-XTQFYOIMSA-N 2 0 223.320 -0.053 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911799329 639820553 /nfs/dbraw/zinc/82/05/53/639820553.db2.gz FUKWUJKGROBDMA-CMPLNLGQSA-N 2 0 240.351 -0.866 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911799330 639820491 /nfs/dbraw/zinc/82/04/91/639820491.db2.gz FUKWUJKGROBDMA-JQWIXIFHSA-N 2 0 240.351 -0.866 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911799331 639821497 /nfs/dbraw/zinc/82/14/97/639821497.db2.gz FUKWUJKGROBDMA-PWSUYJOCSA-N 2 0 240.351 -0.866 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911799332 639821077 /nfs/dbraw/zinc/82/10/77/639821077.db2.gz FUKWUJKGROBDMA-ZYHUDNBSSA-N 2 0 240.351 -0.866 20 0 BBADRP CCC(CC)(C[NH3+])NC(=O)CNCC[NH3+] ZINC000911799439 639821020 /nfs/dbraw/zinc/82/10/20/639821020.db2.gz HXWGHBBAUQOJSI-UHFFFAOYSA-N 2 0 216.329 -0.832 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000911800267 639823214 /nfs/dbraw/zinc/82/32/14/639823214.db2.gz QFTGLRHFEAULKZ-JTQLQIEISA-N 2 0 240.351 -0.722 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000911800268 639822099 /nfs/dbraw/zinc/82/20/99/639822099.db2.gz QFTGLRHFEAULKZ-SNVBAGLBSA-N 2 0 240.351 -0.722 20 0 BBADRP C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@@H]1C[NH3+])C1CC1 ZINC000911800399 639822639 /nfs/dbraw/zinc/82/26/39/639822639.db2.gz RFGPENWVVPPCHE-BCMRRPTOSA-N 2 0 211.309 -0.175 20 0 BBADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1C[C@@H]1C[NH3+])C1CC1 ZINC000911800400 639822016 /nfs/dbraw/zinc/82/20/16/639822016.db2.gz RFGPENWVVPPCHE-ZOFUNIGCSA-N 2 0 211.309 -0.175 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC[NH2+]1 ZINC000911801597 639824987 /nfs/dbraw/zinc/82/49/87/639824987.db2.gz DFUFTJXHJWOFGS-HWUMTFDVSA-N 2 0 223.320 -0.210 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC[NH2+]1 ZINC000911801598 639823945 /nfs/dbraw/zinc/82/39/45/639823945.db2.gz DFUFTJXHJWOFGS-NZFPMDFQSA-N 2 0 223.320 -0.210 20 0 BBADRP C[C@@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000911802380 639824017 /nfs/dbraw/zinc/82/40/17/639824017.db2.gz JJPJLPJMQYNCMT-FKTRJACZSA-N 2 0 209.293 -0.441 20 0 BBADRP C[C@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000911802381 639824407 /nfs/dbraw/zinc/82/44/07/639824407.db2.gz JJPJLPJMQYNCMT-SILCLGDVSA-N 2 0 209.293 -0.441 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000911802930 639824743 /nfs/dbraw/zinc/82/47/43/639824743.db2.gz MVBAIRROIBAWAO-IDKOKCKLSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000911802931 639824374 /nfs/dbraw/zinc/82/43/74/639824374.db2.gz MVBAIRROIBAWAO-XNWIYYODSA-N 2 0 211.309 -0.195 20 0 BBADRP C[NH2+]C1(C(=O)N2CC[NH2+][C@H](C)C2)CCC1 ZINC000911803148 639825851 /nfs/dbraw/zinc/82/58/51/639825851.db2.gz ORCQUAQRUXZSSI-SECBINFHSA-N 2 0 211.309 -0.051 20 0 BBADRP C[NH2+]C1(C(=O)N2CC[NH2+][C@@H](C)C2)CCC1 ZINC000911803149 639826323 /nfs/dbraw/zinc/82/63/23/639826323.db2.gz ORCQUAQRUXZSSI-VIFPVBQESA-N 2 0 211.309 -0.051 20 0 BBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[NH2+]1 ZINC000911803397 639825637 /nfs/dbraw/zinc/82/56/37/639825637.db2.gz RSXJNSGXLSSBBP-SECBINFHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[NH2+]1 ZINC000911803398 639826006 /nfs/dbraw/zinc/82/60/06/639826006.db2.gz RSXJNSGXLSSBBP-VIFPVBQESA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC000911803526 639826153 /nfs/dbraw/zinc/82/61/53/639826153.db2.gz SCVJAQFTBCERDH-NHCYSSNCSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC000911803527 639825595 /nfs/dbraw/zinc/82/55/95/639825595.db2.gz SCVJAQFTBCERDH-SCVCMEIPSA-N 2 0 223.320 -0.194 20 0 BBADRP C[C@H]1CN(C(=O)CC2CC([NH3+])C2)CC[NH2+]1 ZINC000911803602 639825421 /nfs/dbraw/zinc/82/54/21/639825421.db2.gz VAEJFJUIWKHSNP-IDKOKCKLSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)CC2CC([NH3+])C2)CC[NH2+]1 ZINC000911803603 639826312 /nfs/dbraw/zinc/82/63/12/639826312.db2.gz VAEJFJUIWKHSNP-XNWIYYODSA-N 2 0 211.309 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC000911803604 639825930 /nfs/dbraw/zinc/82/59/30/639825930.db2.gz VFGRYJZUNYYCBD-CMPLNLGQSA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC000911803605 639825605 /nfs/dbraw/zinc/82/56/05/639825605.db2.gz VFGRYJZUNYYCBD-JQWIXIFHSA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC000911803606 639825861 /nfs/dbraw/zinc/82/58/61/639825861.db2.gz VFGRYJZUNYYCBD-PWSUYJOCSA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC[NH2+]1 ZINC000911803607 639826389 /nfs/dbraw/zinc/82/63/89/639826389.db2.gz VFGRYJZUNYYCBD-ZYHUDNBSSA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000911803969 639825244 /nfs/dbraw/zinc/82/52/44/639825244.db2.gz XXOAIWWDEUACEP-CHWFTXMASA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000911803971 639826209 /nfs/dbraw/zinc/82/62/09/639826209.db2.gz XXOAIWWDEUACEP-VLEAKVRGSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000911803972 639826522 /nfs/dbraw/zinc/82/65/22/639826522.db2.gz XXOAIWWDEUACEP-ZNSHCXBVSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000911803973 639825726 /nfs/dbraw/zinc/82/57/26/639825726.db2.gz XXOAIWWDEUACEP-ZRUFSTJUSA-N 2 0 223.320 -0.338 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911809411 639830784 /nfs/dbraw/zinc/83/07/84/639830784.db2.gz IMUCCXRXATUMCJ-DOLQZWNJSA-N 2 0 211.309 -0.353 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911809412 639831148 /nfs/dbraw/zinc/83/11/48/639831148.db2.gz IMUCCXRXATUMCJ-IMSYWVGJSA-N 2 0 211.309 -0.353 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911809413 639831482 /nfs/dbraw/zinc/83/14/82/639831482.db2.gz IMUCCXRXATUMCJ-JXUBOQSCSA-N 2 0 211.309 -0.353 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911809414 639831839 /nfs/dbraw/zinc/83/18/39/639831839.db2.gz IMUCCXRXATUMCJ-QCLAVDOMSA-N 2 0 211.309 -0.353 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000911809835 639831163 /nfs/dbraw/zinc/83/11/63/639831163.db2.gz JIRMVGJITAODKE-HTQZYQBOSA-N 2 0 219.354 -0.128 20 0 BBADRP CSCC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911809836 639830770 /nfs/dbraw/zinc/83/07/70/639830770.db2.gz JIRMVGJITAODKE-JGVFFNPUSA-N 2 0 219.354 -0.128 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)COC1CC[NH+](C)CC1 ZINC000911809896 639831273 /nfs/dbraw/zinc/83/12/73/639831273.db2.gz LKRMFGUNJYLNQN-JTQLQIEISA-N 2 0 243.351 -0.097 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)COC1CC[NH+](C)CC1 ZINC000911809898 639831744 /nfs/dbraw/zinc/83/17/44/639831744.db2.gz LKRMFGUNJYLNQN-SNVBAGLBSA-N 2 0 243.351 -0.097 20 0 BBADRP [NH3+]CCNCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911811458 639832857 /nfs/dbraw/zinc/83/28/57/639832857.db2.gz PXWJXMJNMOZIAD-UHFFFAOYSA-N 2 0 248.330 -0.181 20 0 BBADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC[NH2+]1 ZINC000911812186 639834785 /nfs/dbraw/zinc/83/47/85/639834785.db2.gz QNHQBUNVQFVTPK-FOGDFJRCSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC[NH2+]1 ZINC000911812189 639833900 /nfs/dbraw/zinc/83/39/00/639833900.db2.gz QNHQBUNVQFVTPK-UMNHJUIQSA-N 2 0 223.320 -0.051 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911812391 639834697 /nfs/dbraw/zinc/83/46/97/639834697.db2.gz GNSWNENARYARCK-LRPJSKTQSA-N 2 0 211.309 -0.225 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911812392 639834480 /nfs/dbraw/zinc/83/44/80/639834480.db2.gz GNSWNENARYARCK-SPFKKGSWSA-N 2 0 211.309 -0.225 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911812540 639834406 /nfs/dbraw/zinc/83/44/06/639834406.db2.gz ZLKKYZNPFCVSSD-GXSJLCMTSA-N 2 0 229.324 -0.703 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911812541 639834689 /nfs/dbraw/zinc/83/46/89/639834689.db2.gz ZLKKYZNPFCVSSD-KOLCDFICSA-N 2 0 229.324 -0.703 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911812543 639834122 /nfs/dbraw/zinc/83/41/22/639834122.db2.gz ZLKKYZNPFCVSSD-MWLCHTKSSA-N 2 0 229.324 -0.703 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911812544 639833825 /nfs/dbraw/zinc/83/38/25/639833825.db2.gz ZLKKYZNPFCVSSD-ONGXEEELSA-N 2 0 229.324 -0.703 20 0 BBADRP [NH3+]C[C@H](O)CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911812693 639834986 /nfs/dbraw/zinc/83/49/86/639834986.db2.gz UNBYXBLERUAVAA-GFCCVEGCSA-N 2 0 249.314 -0.020 20 0 BBADRP [NH3+]C[C@@H](O)CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911812694 639834764 /nfs/dbraw/zinc/83/47/64/639834764.db2.gz UNBYXBLERUAVAA-LBPRGKRZSA-N 2 0 249.314 -0.020 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[NH2+]1 ZINC000911813627 639801528 /nfs/dbraw/zinc/80/15/28/639801528.db2.gz ZSXBIZQQXUMKMM-LMLFDSFASA-N 2 0 223.320 -0.053 20 0 BBADRP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[NH2+]1 ZINC000911813628 639802673 /nfs/dbraw/zinc/80/26/73/639802673.db2.gz ZSXBIZQQXUMKMM-UKKRHICBSA-N 2 0 223.320 -0.053 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC000911814304 639803801 /nfs/dbraw/zinc/80/38/01/639803801.db2.gz RCJSZTAAPDOIKR-GHMZBOCLSA-N 2 0 242.367 -0.620 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911814306 639803966 /nfs/dbraw/zinc/80/39/66/639803966.db2.gz RCJSZTAAPDOIKR-MNOVXSKESA-N 2 0 242.367 -0.620 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911814309 639803620 /nfs/dbraw/zinc/80/36/20/639803620.db2.gz RCJSZTAAPDOIKR-QWRGUYRKSA-N 2 0 242.367 -0.620 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC000911814310 639803534 /nfs/dbraw/zinc/80/35/34/639803534.db2.gz RCJSZTAAPDOIKR-WDEREUQCSA-N 2 0 242.367 -0.620 20 0 BBADRP CC(C)C[C@H](C[NH3+])NC(=O)CNCC[NH3+] ZINC000911814899 639803502 /nfs/dbraw/zinc/80/35/02/639803502.db2.gz VWHSBUSCKPPVKT-SECBINFHSA-N 2 0 216.329 -0.976 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NC(=O)CNCC[NH3+] ZINC000911814900 639803016 /nfs/dbraw/zinc/80/30/16/639803016.db2.gz VWHSBUSCKPPVKT-VIFPVBQESA-N 2 0 216.329 -0.976 20 0 BBADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911814991 639804518 /nfs/dbraw/zinc/80/45/18/639804518.db2.gz WQKYSNJCOUCTFS-AXTSPUMRSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911814993 639802900 /nfs/dbraw/zinc/80/29/00/639802900.db2.gz WQKYSNJCOUCTFS-UTINFBMNSA-N 2 0 211.309 -0.068 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[C@H]1[NH3+] ZINC000911816624 639849221 /nfs/dbraw/zinc/84/92/21/639849221.db2.gz CLEAAKPLGYYFHO-GMTAPVOTSA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[C@H]1[NH3+] ZINC000911816626 639847912 /nfs/dbraw/zinc/84/79/12/639847912.db2.gz CLEAAKPLGYYFHO-MXWKQRLJSA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CC[C@@H]1[NH3+] ZINC000911816627 639848867 /nfs/dbraw/zinc/84/88/67/639848867.db2.gz CLEAAKPLGYYFHO-OUAUKWLOSA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CC[C@@H]1[NH3+] ZINC000911816628 639848491 /nfs/dbraw/zinc/84/84/91/639848491.db2.gz CLEAAKPLGYYFHO-VWYCJHECSA-N 2 0 240.351 -0.914 20 0 BBADRP C[C@@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CC[C@H]1[NH3+] ZINC000911821032 639835652 /nfs/dbraw/zinc/83/56/52/639835652.db2.gz TYEYRJMTMDJIQJ-DKZWSVDFSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CC[C@H]1[NH3+] ZINC000911821033 639836270 /nfs/dbraw/zinc/83/62/70/639836270.db2.gz TYEYRJMTMDJIQJ-GWFPEYJASA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CC[C@@H]1[NH3+] ZINC000911821034 639836365 /nfs/dbraw/zinc/83/63/65/639836365.db2.gz TYEYRJMTMDJIQJ-HUXNSBQSSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CC[C@@H]1[NH3+] ZINC000911821035 639835547 /nfs/dbraw/zinc/83/55/47/639835547.db2.gz TYEYRJMTMDJIQJ-ZSWLNHAKSA-N 2 0 223.320 -0.066 20 0 BBADRP C[C@@H]1CCCN(C(=O)CNCC[NH3+])[C@@H]1C[NH3+] ZINC000911822734 639837023 /nfs/dbraw/zinc/83/70/23/639837023.db2.gz JOVBFADPMIENOF-NXEZZACHSA-N 2 0 228.340 -0.880 20 0 BBADRP C[C@H]1CCCN(C(=O)CNCC[NH3+])[C@H]1C[NH3+] ZINC000911822735 639838016 /nfs/dbraw/zinc/83/80/16/639838016.db2.gz JOVBFADPMIENOF-UWVGGRQHSA-N 2 0 228.340 -0.880 20 0 BBADRP C[C@H]1CCCN(C(=O)CNCC[NH3+])[C@@H]1C[NH3+] ZINC000911822736 639838298 /nfs/dbraw/zinc/83/82/98/639838298.db2.gz JOVBFADPMIENOF-VHSXEESVSA-N 2 0 228.340 -0.880 20 0 BBADRP C[C@@H]1CCCN(C(=O)CNCC[NH3+])[C@H]1C[NH3+] ZINC000911822737 639837507 /nfs/dbraw/zinc/83/75/07/639837507.db2.gz JOVBFADPMIENOF-ZJUUUORDSA-N 2 0 228.340 -0.880 20 0 BBADRP [NH3+]CCNCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911822758 639838230 /nfs/dbraw/zinc/83/82/30/639838230.db2.gz ZWSXXEQKNUIARM-LLVKDONJSA-N 2 0 242.367 -0.442 20 0 BBADRP [NH3+]CCNCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911822759 639837580 /nfs/dbraw/zinc/83/75/80/639837580.db2.gz ZWSXXEQKNUIARM-NSHDSACASA-N 2 0 242.367 -0.442 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911824467 639838212 /nfs/dbraw/zinc/83/82/12/639838212.db2.gz CMAXRLZOKZRCMQ-LMLFDSFASA-N 2 0 225.336 -0.059 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911824468 639837159 /nfs/dbraw/zinc/83/71/59/639837159.db2.gz CMAXRLZOKZRCMQ-RCWTZXSCSA-N 2 0 225.336 -0.059 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911824469 639837877 /nfs/dbraw/zinc/83/78/77/639837877.db2.gz CMAXRLZOKZRCMQ-VPOLOUISSA-N 2 0 225.336 -0.059 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911824470 639837994 /nfs/dbraw/zinc/83/79/94/639837994.db2.gz CMAXRLZOKZRCMQ-YTWAJWBKSA-N 2 0 225.336 -0.059 20 0 BBADRP C[C@@H]1CCCN(C(=O)C[C@@H](O)C[NH3+])[C@H]1C[NH3+] ZINC000911825381 639837796 /nfs/dbraw/zinc/83/77/96/639837796.db2.gz NYAVUIOBDXLZJJ-BBBLOLIVSA-N 2 0 229.324 -0.718 20 0 BBADRP C[C@@H]1CCCN(C(=O)C[C@H](O)C[NH3+])[C@@H]1C[NH3+] ZINC000911825383 639837716 /nfs/dbraw/zinc/83/77/16/639837716.db2.gz NYAVUIOBDXLZJJ-KXUCPTDWSA-N 2 0 229.324 -0.718 20 0 BBADRP C[C@@H]1CCCN(C(=O)C[C@@H](O)C[NH3+])[C@@H]1C[NH3+] ZINC000911825384 639837512 /nfs/dbraw/zinc/83/75/12/639837512.db2.gz NYAVUIOBDXLZJJ-OPRDCNLKSA-N 2 0 229.324 -0.718 20 0 BBADRP C[C@@H]1CCCN(C(=O)C[C@H](O)C[NH3+])[C@H]1C[NH3+] ZINC000911825386 639837970 /nfs/dbraw/zinc/83/79/70/639837970.db2.gz NYAVUIOBDXLZJJ-UTLUCORTSA-N 2 0 229.324 -0.718 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911825542 639837847 /nfs/dbraw/zinc/83/78/47/639837847.db2.gz ILJVWRDWNOQRMZ-FXPVBKGRSA-N 2 0 229.324 -0.801 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911825543 639837405 /nfs/dbraw/zinc/83/74/05/639837405.db2.gz ILJVWRDWNOQRMZ-IQJOONFLSA-N 2 0 229.324 -0.801 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911825544 639837225 /nfs/dbraw/zinc/83/72/25/639837225.db2.gz ILJVWRDWNOQRMZ-KKZNHRDASA-N 2 0 229.324 -0.801 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911825545 639837886 /nfs/dbraw/zinc/83/78/86/639837886.db2.gz ILJVWRDWNOQRMZ-NGZCFLSTSA-N 2 0 229.324 -0.801 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911826476 639838872 /nfs/dbraw/zinc/83/88/72/639838872.db2.gz NVTKIEGTUACLLP-CMPLNLGQSA-N 2 0 243.351 -0.410 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911826477 639839428 /nfs/dbraw/zinc/83/94/28/639839428.db2.gz NVTKIEGTUACLLP-JQWIXIFHSA-N 2 0 243.351 -0.410 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911826478 639839016 /nfs/dbraw/zinc/83/90/16/639839016.db2.gz NVTKIEGTUACLLP-PWSUYJOCSA-N 2 0 243.351 -0.410 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911826479 639839994 /nfs/dbraw/zinc/83/99/94/639839994.db2.gz NVTKIEGTUACLLP-ZYHUDNBSSA-N 2 0 243.351 -0.410 20 0 BBADRP CC(C)[C@H]([NH3+])CNC(=O)C12CC(C1)C[NH2+]2 ZINC000911827625 639839442 /nfs/dbraw/zinc/83/94/42/639839442.db2.gz VRXVXXWCGJWPBF-INWMGODYSA-N 2 0 211.309 -0.162 20 0 BBADRP CC(C)[C@@H]([NH3+])CNC(=O)C12CC(C1)C[NH2+]2 ZINC000911827628 639839716 /nfs/dbraw/zinc/83/97/16/639839716.db2.gz VRXVXXWCGJWPBF-YUCVTWSNSA-N 2 0 211.309 -0.162 20 0 BBADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CNCC[NH3+] ZINC000911832033 639844439 /nfs/dbraw/zinc/84/44/39/639844439.db2.gz UWSDQBXIJKBMRE-LLVKDONJSA-N 2 0 230.356 -0.586 20 0 BBADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CNCC[NH3+] ZINC000911832053 639844029 /nfs/dbraw/zinc/84/40/29/639844029.db2.gz UWSDQBXIJKBMRE-NSHDSACASA-N 2 0 230.356 -0.586 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)CNCC[NH3+] ZINC000911832281 639844077 /nfs/dbraw/zinc/84/40/77/639844077.db2.gz FOQQSGAHQMGDFN-JTQLQIEISA-N 2 0 216.329 -0.976 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CNCC[NH3+] ZINC000911832282 639844306 /nfs/dbraw/zinc/84/43/06/639844306.db2.gz FOQQSGAHQMGDFN-SNVBAGLBSA-N 2 0 216.329 -0.976 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)C1CC1 ZINC000911832998 639844108 /nfs/dbraw/zinc/84/41/08/639844108.db2.gz QWCRVXQQRGBIRL-NZHYYXIDSA-N 2 0 223.320 -0.177 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)C1CC1 ZINC000911833001 639844384 /nfs/dbraw/zinc/84/43/84/639844384.db2.gz QWCRVXQQRGBIRL-XXFSISAASA-N 2 0 223.320 -0.177 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000911834294 639845811 /nfs/dbraw/zinc/84/58/11/639845811.db2.gz PGXGCBYCTNAGAE-LMLFDSFASA-N 2 0 223.320 -0.305 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000911834295 639844852 /nfs/dbraw/zinc/84/48/52/639844852.db2.gz PGXGCBYCTNAGAE-RCWTZXSCSA-N 2 0 223.320 -0.305 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000911834296 639845218 /nfs/dbraw/zinc/84/52/18/639845218.db2.gz PGXGCBYCTNAGAE-VPOLOUISSA-N 2 0 223.320 -0.305 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000911834297 639845988 /nfs/dbraw/zinc/84/59/88/639845988.db2.gz PGXGCBYCTNAGAE-YTWAJWBKSA-N 2 0 223.320 -0.305 20 0 BBADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000911835886 639847355 /nfs/dbraw/zinc/84/73/55/639847355.db2.gz VRQCWOKFZLEUQM-LNFKQOIKSA-N 2 0 223.320 -0.020 20 0 BBADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000911835887 639846879 /nfs/dbraw/zinc/84/68/79/639846879.db2.gz VRQCWOKFZLEUQM-ZDCRXTMVSA-N 2 0 223.320 -0.020 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911836043 639847009 /nfs/dbraw/zinc/84/70/09/639847009.db2.gz OFGKKPJTYRVCLC-CMPLNLGQSA-N 2 0 242.367 -0.620 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911836044 639847200 /nfs/dbraw/zinc/84/72/00/639847200.db2.gz OFGKKPJTYRVCLC-JQWIXIFHSA-N 2 0 242.367 -0.620 20 0 BBADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC000911836045 639846286 /nfs/dbraw/zinc/84/62/86/639846286.db2.gz OFGKKPJTYRVCLC-PWSUYJOCSA-N 2 0 242.367 -0.620 20 0 BBADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC000911836046 639846756 /nfs/dbraw/zinc/84/67/56/639846756.db2.gz OFGKKPJTYRVCLC-ZYHUDNBSSA-N 2 0 242.367 -0.620 20 0 BBADRP C[NH2+]C1CC(C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000911836089 639846822 /nfs/dbraw/zinc/84/68/22/639846822.db2.gz XPAKJPJVRLDFCO-RTBKNWGFSA-N 2 0 211.309 -0.162 20 0 BBADRP C[NH2+]C1CC(C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000911836090 639846720 /nfs/dbraw/zinc/84/67/20/639846720.db2.gz XPAKJPJVRLDFCO-UDNWOFFPSA-N 2 0 211.309 -0.162 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC1 ZINC000911836091 639847561 /nfs/dbraw/zinc/84/75/61/639847561.db2.gz XRSYRYJWBTWMLI-CMPLNLGQSA-N 2 0 241.335 -0.656 20 0 BBADRP [NH3+]C[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC1 ZINC000911836092 639847172 /nfs/dbraw/zinc/84/71/72/639847172.db2.gz XRSYRYJWBTWMLI-JQWIXIFHSA-N 2 0 241.335 -0.656 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)C1CC1 ZINC000911836093 639846259 /nfs/dbraw/zinc/84/62/59/639846259.db2.gz XRSYRYJWBTWMLI-PWSUYJOCSA-N 2 0 241.335 -0.656 20 0 BBADRP [NH3+]C[C@@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)C1CC1 ZINC000911836094 639846709 /nfs/dbraw/zinc/84/67/09/639846709.db2.gz XRSYRYJWBTWMLI-ZYHUDNBSSA-N 2 0 241.335 -0.656 20 0 BBADRP [NH3+][C@H](CO)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000911842379 639848395 /nfs/dbraw/zinc/84/83/95/639848395.db2.gz XOOWGKYFULQFDX-LLVKDONJSA-N 2 0 243.351 -0.265 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911845008 639855147 /nfs/dbraw/zinc/85/51/47/639855147.db2.gz FESKTBRGRDQCTP-CHWFTXMASA-N 2 0 223.320 -0.208 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911845010 639854380 /nfs/dbraw/zinc/85/43/80/639854380.db2.gz FESKTBRGRDQCTP-ZNSHCXBVSA-N 2 0 223.320 -0.208 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000911845092 639855461 /nfs/dbraw/zinc/85/54/61/639855461.db2.gz GRVFGCVXCXWUEU-UDNWOFFPSA-N 2 0 211.309 -0.066 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911845137 639855119 /nfs/dbraw/zinc/85/51/19/639855119.db2.gz HJTNHXAGOAIVDQ-PWSUYJOCSA-N 2 0 241.335 -0.559 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911845138 639854779 /nfs/dbraw/zinc/85/47/79/639854779.db2.gz HJTNHXAGOAIVDQ-ZYHUDNBSSA-N 2 0 241.335 -0.559 20 0 BBADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000911845377 639854274 /nfs/dbraw/zinc/85/42/74/639854274.db2.gz JHCYOTDARFEDFR-JTQLQIEISA-N 2 0 240.351 -0.900 20 0 BBADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000911845378 639855202 /nfs/dbraw/zinc/85/52/02/639855202.db2.gz JHCYOTDARFEDFR-SNVBAGLBSA-N 2 0 240.351 -0.900 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)c1conc1C[NH3+] ZINC000911845452 639855239 /nfs/dbraw/zinc/85/52/39/639855239.db2.gz KUGUGYZPQFGAGP-UHFFFAOYSA-N 2 0 238.291 -0.043 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911845745 639855432 /nfs/dbraw/zinc/85/54/32/639855432.db2.gz AFNJOFLPVQXVIG-LLVKDONJSA-N 2 0 229.324 -0.656 20 0 BBADRP CC(C)([NH3+])CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911845746 639855180 /nfs/dbraw/zinc/85/51/80/639855180.db2.gz AFNJOFLPVQXVIG-NSHDSACASA-N 2 0 229.324 -0.656 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911845804 639854686 /nfs/dbraw/zinc/85/46/86/639854686.db2.gz DIIRQLJRUPTPAH-XAVMHZPKSA-N 2 0 211.309 -0.177 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911846225 639857202 /nfs/dbraw/zinc/85/72/02/639857202.db2.gz OLSNMVGHTKEVBL-DJLDLDEBSA-N 2 0 211.309 -0.020 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911846510 639856325 /nfs/dbraw/zinc/85/63/25/639856325.db2.gz IDKLEIAFBXSJFR-KWQFWETISA-N 2 0 211.309 -0.161 20 0 BBADRP C[NH+]1CCC(OCC(=O)NCC(C)(C)[NH3+])CC1 ZINC000911846672 639856785 /nfs/dbraw/zinc/85/67/85/639856785.db2.gz QFXGMCSGMNFHJV-UHFFFAOYSA-N 2 0 243.351 -0.049 20 0 BBADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911846863 639856772 /nfs/dbraw/zinc/85/67/72/639856772.db2.gz ODPZXOTVGBVNHA-RKDXNWHRSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]([NH3+])C1(C(=O)NCC(C)(C)[NH3+])CCOCC1 ZINC000911847051 639856882 /nfs/dbraw/zinc/85/68/82/639856882.db2.gz SYORVHSVTSDIGB-SECBINFHSA-N 2 0 243.351 -0.016 20 0 BBADRP C[C@H]([NH3+])C1(C(=O)NCC(C)(C)[NH3+])CCOCC1 ZINC000911847052 639856517 /nfs/dbraw/zinc/85/65/17/639856517.db2.gz SYORVHSVTSDIGB-VIFPVBQESA-N 2 0 243.351 -0.016 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911847114 639857331 /nfs/dbraw/zinc/85/73/31/639857331.db2.gz VVRWWTJDEKMCOS-KCJUWKMLSA-N 2 0 211.309 -0.018 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911847556 639856112 /nfs/dbraw/zinc/85/61/12/639856112.db2.gz ZHRZZTMVRAFKFV-SKDRFNHKSA-N 2 0 241.335 -0.534 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911847814 639856702 /nfs/dbraw/zinc/85/67/02/639856702.db2.gz QRDMKGMYLBOPGG-HRDYMLBCSA-N 2 0 211.309 -0.305 20 0 BBADRP CC(C)([NH3+])CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911847815 639855938 /nfs/dbraw/zinc/85/59/38/639855938.db2.gz QRDMKGMYLBOPGG-VGMNWLOBSA-N 2 0 211.309 -0.305 20 0 BBADRP CC(C)([NH3+])CNC(=O)c1ccn(CCC[NH3+])n1 ZINC000911848392 639858206 /nfs/dbraw/zinc/85/82/06/639858206.db2.gz USDFKQYQYASTIC-UHFFFAOYSA-N 2 0 239.323 -0.301 20 0 BBADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911851079 639858373 /nfs/dbraw/zinc/85/83/73/639858373.db2.gz DGQQVQMZGLHGLX-VLEAKVRGSA-N 2 0 223.320 -0.066 20 0 BBADRP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911853292 639859855 /nfs/dbraw/zinc/85/98/55/639859855.db2.gz ZSKCQATWIWVZTL-NZFPMDFQSA-N 2 0 223.320 -0.081 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)CNCC[NH3+] ZINC000911857361 639860013 /nfs/dbraw/zinc/86/00/13/639860013.db2.gz IJYZWZBCVQFYBI-UHFFFAOYSA-N 2 0 216.329 -0.832 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911858857 639850266 /nfs/dbraw/zinc/85/02/66/639850266.db2.gz VRAUPKRWKVPSET-JTQLQIEISA-N 2 0 242.367 -0.476 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[NH2+]CCN1C ZINC000911858858 639849961 /nfs/dbraw/zinc/84/99/61/639849961.db2.gz VRAUPKRWKVPSET-SNVBAGLBSA-N 2 0 242.367 -0.476 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911858930 639850660 /nfs/dbraw/zinc/85/06/60/639850660.db2.gz XUDVMTLJGANZJX-GXSJLCMTSA-N 2 0 243.351 -0.267 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911858931 639850024 /nfs/dbraw/zinc/85/00/24/639850024.db2.gz XUDVMTLJGANZJX-KOLCDFICSA-N 2 0 243.351 -0.267 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911858932 639849645 /nfs/dbraw/zinc/84/96/45/639849645.db2.gz XUDVMTLJGANZJX-MWLCHTKSSA-N 2 0 243.351 -0.267 20 0 BBADRP CCC([NH3+])(CC)CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911858933 639850347 /nfs/dbraw/zinc/85/03/47/639850347.db2.gz XUDVMTLJGANZJX-ONGXEEELSA-N 2 0 243.351 -0.267 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911863669 639850568 /nfs/dbraw/zinc/85/05/68/639850568.db2.gz ANONFKIODIIERU-JTQLQIEISA-N 2 0 242.367 -0.667 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[NH2+]CCN1C ZINC000911863671 639850123 /nfs/dbraw/zinc/85/01/23/639850123.db2.gz ANONFKIODIIERU-SNVBAGLBSA-N 2 0 242.367 -0.667 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911863715 639849922 /nfs/dbraw/zinc/84/99/22/639849922.db2.gz BRLSONOVOFVLAO-BXKDBHETSA-N 2 0 243.351 -0.457 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911863716 639849550 /nfs/dbraw/zinc/84/95/50/639849550.db2.gz BRLSONOVOFVLAO-CABZTGNLSA-N 2 0 243.351 -0.457 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911863717 639850443 /nfs/dbraw/zinc/85/04/43/639850443.db2.gz BRLSONOVOFVLAO-JOYOIKCWSA-N 2 0 243.351 -0.457 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911863719 639850565 /nfs/dbraw/zinc/85/05/65/639850565.db2.gz BRLSONOVOFVLAO-SKDRFNHKSA-N 2 0 243.351 -0.457 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911863916 639851165 /nfs/dbraw/zinc/85/11/65/639851165.db2.gz KNZDREWSYUHJJU-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911863917 639852171 /nfs/dbraw/zinc/85/21/71/639852171.db2.gz KNZDREWSYUHJJU-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H](O)C[NH3+] ZINC000911864621 639851440 /nfs/dbraw/zinc/85/14/40/639851440.db2.gz KQWHTBQYVUBWPJ-MRVPVSSYSA-N 2 0 217.313 -0.861 20 0 BBADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@H](O)C[NH3+] ZINC000911864622 639851186 /nfs/dbraw/zinc/85/11/86/639851186.db2.gz KQWHTBQYVUBWPJ-QMMMGPOBSA-N 2 0 217.313 -0.861 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC000911864919 639852086 /nfs/dbraw/zinc/85/20/86/639852086.db2.gz VMPCYVRBPDFTBI-GHMZBOCLSA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911864920 639851317 /nfs/dbraw/zinc/85/13/17/639851317.db2.gz VMPCYVRBPDFTBI-MNOVXSKESA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911864921 639852044 /nfs/dbraw/zinc/85/20/44/639852044.db2.gz VMPCYVRBPDFTBI-QWRGUYRKSA-N 2 0 240.351 -0.900 20 0 BBADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC000911864922 639852295 /nfs/dbraw/zinc/85/22/95/639852295.db2.gz VMPCYVRBPDFTBI-WDEREUQCSA-N 2 0 240.351 -0.900 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CNCC[NH3+] ZINC000911870003 639852658 /nfs/dbraw/zinc/85/26/58/639852658.db2.gz GTKSLIJZPBRVRY-JTQLQIEISA-N 2 0 230.356 -0.634 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CNCC[NH3+] ZINC000911870004 639852836 /nfs/dbraw/zinc/85/28/36/639852836.db2.gz GTKSLIJZPBRVRY-SNVBAGLBSA-N 2 0 230.356 -0.634 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H](O)C[NH3+] ZINC000911870428 639853738 /nfs/dbraw/zinc/85/37/38/639853738.db2.gz LQMIIIFIAZTRSS-NXEZZACHSA-N 2 0 231.340 -0.472 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H](O)C[NH3+] ZINC000911870430 639853200 /nfs/dbraw/zinc/85/32/00/639853200.db2.gz LQMIIIFIAZTRSS-UWVGGRQHSA-N 2 0 231.340 -0.472 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H](O)C[NH3+] ZINC000911870431 639853662 /nfs/dbraw/zinc/85/36/62/639853662.db2.gz LQMIIIFIAZTRSS-VHSXEESVSA-N 2 0 231.340 -0.472 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H](O)C[NH3+] ZINC000911870432 639853465 /nfs/dbraw/zinc/85/34/65/639853465.db2.gz LQMIIIFIAZTRSS-ZJUUUORDSA-N 2 0 231.340 -0.472 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CO ZINC000911871316 639853607 /nfs/dbraw/zinc/85/36/07/639853607.db2.gz RVTGKVFHPGUKHP-DTWKUNHWSA-N 2 0 217.313 -0.862 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CO ZINC000911871319 639852768 /nfs/dbraw/zinc/85/27/68/639852768.db2.gz RVTGKVFHPGUKHP-RKDXNWHRSA-N 2 0 217.313 -0.862 20 0 BBADRP C[NH2+]CCCCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911874609 639863829 /nfs/dbraw/zinc/86/38/29/639863829.db2.gz AVAGPOGKPIOFPC-LLVKDONJSA-N 2 0 242.367 -0.523 20 0 BBADRP C[NH2+]CCCCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911874610 639863745 /nfs/dbraw/zinc/86/37/45/639863745.db2.gz AVAGPOGKPIOFPC-NSHDSACASA-N 2 0 242.367 -0.523 20 0 BBADRP CN1CCN(C(=O)CC2CC([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000911875217 639862805 /nfs/dbraw/zinc/86/28/05/639862805.db2.gz LXIFVGLWTUNHMJ-ILDUYXDCSA-N 2 0 240.351 -0.785 20 0 BBADRP CN1CCN(C(=O)CC2CC([NH3+])C2)[C@H](C[NH3+])C1 ZINC000911875218 639863860 /nfs/dbraw/zinc/86/38/60/639863860.db2.gz LXIFVGLWTUNHMJ-VQXHTEKXSA-N 2 0 240.351 -0.785 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000911875792 639862607 /nfs/dbraw/zinc/86/26/07/639862607.db2.gz UEYQZBWQHQCSLD-ILDUYXDCSA-N 2 0 240.351 -0.914 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000911875793 639865307 /nfs/dbraw/zinc/86/53/07/639865307.db2.gz UEYQZBWQHQCSLD-VQXHTEKXSA-N 2 0 240.351 -0.914 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC000911878239 639865344 /nfs/dbraw/zinc/86/53/44/639865344.db2.gz FLNQGZQZKHXBPE-GHMZBOCLSA-N 2 0 242.367 -0.476 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911878244 639865319 /nfs/dbraw/zinc/86/53/19/639865319.db2.gz FLNQGZQZKHXBPE-MNOVXSKESA-N 2 0 242.367 -0.476 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C ZINC000911878248 639864584 /nfs/dbraw/zinc/86/45/84/639864584.db2.gz FLNQGZQZKHXBPE-QWRGUYRKSA-N 2 0 242.367 -0.476 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC000911878250 639865435 /nfs/dbraw/zinc/86/54/35/639865435.db2.gz FLNQGZQZKHXBPE-WDEREUQCSA-N 2 0 242.367 -0.476 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CCO1 ZINC000911878822 639865233 /nfs/dbraw/zinc/86/52/33/639865233.db2.gz AXYTZHUAPZASPJ-JLIMGVALSA-N 2 0 227.308 -0.844 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CCO1 ZINC000911878823 639865470 /nfs/dbraw/zinc/86/54/70/639865470.db2.gz AXYTZHUAPZASPJ-KYXWUPHJSA-N 2 0 227.308 -0.844 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CCO1 ZINC000911878824 639865729 /nfs/dbraw/zinc/86/57/29/639865729.db2.gz AXYTZHUAPZASPJ-SGIHWFKDSA-N 2 0 227.308 -0.844 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CCO1 ZINC000911878825 639865013 /nfs/dbraw/zinc/86/50/13/639865013.db2.gz AXYTZHUAPZASPJ-ZYUZMQFOSA-N 2 0 227.308 -0.844 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000911878859 639865771 /nfs/dbraw/zinc/86/57/71/639865771.db2.gz BOXFYEYUOJCSDD-AGVGLQIMSA-N 2 0 241.335 -0.441 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000911878860 639864964 /nfs/dbraw/zinc/86/49/64/639864964.db2.gz BOXFYEYUOJCSDD-IDWGSYCQSA-N 2 0 241.335 -0.441 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000911878861 639865666 /nfs/dbraw/zinc/86/56/66/639865666.db2.gz BOXFYEYUOJCSDD-PMUOWJKOSA-N 2 0 241.335 -0.441 20 0 BBADRP C[NH2+]C1CC(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000911878862 639865446 /nfs/dbraw/zinc/86/54/46/639865446.db2.gz BOXFYEYUOJCSDD-SFXRXQKFSA-N 2 0 241.335 -0.441 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)CNCC[NH3+] ZINC000911879299 639864780 /nfs/dbraw/zinc/86/47/80/639864780.db2.gz LLWIBVLTBHOZMT-SECBINFHSA-N 2 0 216.329 -0.832 20 0 BBADRP CCCC[C@@H](C[NH3+])NC(=O)CNCC[NH3+] ZINC000911879300 639864686 /nfs/dbraw/zinc/86/46/86/639864686.db2.gz LLWIBVLTBHOZMT-VIFPVBQESA-N 2 0 216.329 -0.832 20 0 BBADRP C[NH2+]C1(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CCC1 ZINC000911879683 639865361 /nfs/dbraw/zinc/86/53/61/639865361.db2.gz HDPURYNLKWFBRQ-NXEZZACHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]C1(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CCC1 ZINC000911879684 639865440 /nfs/dbraw/zinc/86/54/40/639865440.db2.gz HDPURYNLKWFBRQ-UWVGGRQHSA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]C1(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CCC1 ZINC000911879685 639864507 /nfs/dbraw/zinc/86/45/07/639864507.db2.gz HDPURYNLKWFBRQ-VHSXEESVSA-N 2 0 241.335 -0.297 20 0 BBADRP C[NH2+]C1(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CCC1 ZINC000911879686 639864947 /nfs/dbraw/zinc/86/49/47/639864947.db2.gz HDPURYNLKWFBRQ-ZJUUUORDSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CCO1 ZINC000911879711 639864490 /nfs/dbraw/zinc/86/44/90/639864490.db2.gz HPWHRJUEAILXIP-NXEZZACHSA-N 2 0 241.335 -0.345 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CCO1 ZINC000911879712 639864938 /nfs/dbraw/zinc/86/49/38/639864938.db2.gz HPWHRJUEAILXIP-UWVGGRQHSA-N 2 0 241.335 -0.345 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CCO1 ZINC000911879713 639865670 /nfs/dbraw/zinc/86/56/70/639865670.db2.gz HPWHRJUEAILXIP-VHSXEESVSA-N 2 0 241.335 -0.345 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CCO1 ZINC000911879714 639865515 /nfs/dbraw/zinc/86/55/15/639865515.db2.gz HPWHRJUEAILXIP-ZJUUUORDSA-N 2 0 241.335 -0.345 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911880360 639866153 /nfs/dbraw/zinc/86/61/53/639866153.db2.gz URDBNYNODHOWOM-CKYFFXLPSA-N 2 0 243.351 -0.267 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911880362 639867462 /nfs/dbraw/zinc/86/74/62/639867462.db2.gz URDBNYNODHOWOM-FOGDFJRCSA-N 2 0 243.351 -0.267 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911880363 639866600 /nfs/dbraw/zinc/86/66/00/639866600.db2.gz URDBNYNODHOWOM-JFGNBEQYSA-N 2 0 243.351 -0.267 20 0 BBADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000911880365 639867248 /nfs/dbraw/zinc/86/72/48/639867248.db2.gz URDBNYNODHOWOM-SCVCMEIPSA-N 2 0 243.351 -0.267 20 0 BBADRP CN1CCN(C(=O)CC(C)(C)C[NH3+])[C@@H](C[NH3+])C1 ZINC000911880602 639866704 /nfs/dbraw/zinc/86/67/04/639866704.db2.gz WELUYEZDNJAOEP-JTQLQIEISA-N 2 0 242.367 -0.537 20 0 BBADRP CN1CCN(C(=O)CC(C)(C)C[NH3+])[C@H](C[NH3+])C1 ZINC000911880603 639867416 /nfs/dbraw/zinc/86/74/16/639867416.db2.gz WELUYEZDNJAOEP-SNVBAGLBSA-N 2 0 242.367 -0.537 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CCO1 ZINC000911880710 639867200 /nfs/dbraw/zinc/86/72/00/639867200.db2.gz AIAOMHUXDYGGMB-DKZWSVDFSA-N 2 0 239.319 -0.687 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CCO1 ZINC000911880715 639866228 /nfs/dbraw/zinc/86/62/28/639866228.db2.gz AIAOMHUXDYGGMB-GWFPEYJASA-N 2 0 239.319 -0.687 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CCO1 ZINC000911880718 639866498 /nfs/dbraw/zinc/86/64/98/639866498.db2.gz AIAOMHUXDYGGMB-HUXNSBQSSA-N 2 0 239.319 -0.687 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C23CC(C2)C[NH2+]3)CCO1 ZINC000911880720 639866550 /nfs/dbraw/zinc/86/65/50/639866550.db2.gz AIAOMHUXDYGGMB-ZSWLNHAKSA-N 2 0 239.319 -0.687 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000911881591 639866144 /nfs/dbraw/zinc/86/61/44/639866144.db2.gz FUAOPQJQCMJSBK-CKYFFXLPSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000911881592 639866613 /nfs/dbraw/zinc/86/66/13/639866613.db2.gz FUAOPQJQCMJSBK-JFGNBEQYSA-N 2 0 241.335 -0.297 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CC(C)(C)C[NH3+])CCO1 ZINC000911884736 639868643 /nfs/dbraw/zinc/86/86/43/639868643.db2.gz RKJKNVXSTMXXQV-NXEZZACHSA-N 2 0 243.351 -0.064 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CC(C)(C)C[NH3+])CCO1 ZINC000911884737 639868234 /nfs/dbraw/zinc/86/82/34/639868234.db2.gz RKJKNVXSTMXXQV-UWVGGRQHSA-N 2 0 243.351 -0.064 20 0 BBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CC(C)(C)C[NH3+])CCO1 ZINC000911884738 639869067 /nfs/dbraw/zinc/86/90/67/639869067.db2.gz RKJKNVXSTMXXQV-VHSXEESVSA-N 2 0 243.351 -0.064 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CC(C)(C)C[NH3+])CCO1 ZINC000911884739 639868326 /nfs/dbraw/zinc/86/83/26/639868326.db2.gz RKJKNVXSTMXXQV-ZJUUUORDSA-N 2 0 243.351 -0.064 20 0 BBADRP C[NH+](C)CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911937680 639898279 /nfs/dbraw/zinc/89/82/79/639898279.db2.gz ZTDFDCUTODYPPR-UHFFFAOYSA-N 2 0 243.351 -0.537 20 0 BBADRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])CO)CCCCC1 ZINC000912015018 639928904 /nfs/dbraw/zinc/92/89/04/639928904.db2.gz RMPLUEAPIHKJFB-SNVBAGLBSA-N 2 0 243.351 -0.313 20 0 BBADRP C[C@@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+](C)C ZINC000912598200 640122057 /nfs/dbraw/zinc/12/20/57/640122057.db2.gz FBKHSLHIWFZFDQ-JTQLQIEISA-N 2 0 231.340 -0.681 20 0 BBADRP C[C@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+](C)C ZINC000912598719 640121028 /nfs/dbraw/zinc/12/10/28/640121028.db2.gz FBKHSLHIWFZFDQ-SNVBAGLBSA-N 2 0 231.340 -0.681 20 0 BBADRP CN(CC[N@H+](C)CCO)C(=O)C1([NH+](C)C)CC1 ZINC000912598986 640120547 /nfs/dbraw/zinc/12/05/47/640120547.db2.gz MQROECWQSTYEQJ-UHFFFAOYSA-N 2 0 243.351 -0.537 20 0 BBADRP CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C ZINC000912599811 640125973 /nfs/dbraw/zinc/12/59/73/640125973.db2.gz MRGGODFMNBIEQP-LLVKDONJSA-N 2 0 243.351 -0.537 20 0 BBADRP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC000912599812 640126963 /nfs/dbraw/zinc/12/69/63/640126963.db2.gz MRGGODFMNBIEQP-NSHDSACASA-N 2 0 243.351 -0.537 20 0 BBADRP CN(CC[N@H+](C)CCO)C(=O)Cc1ncc[nH]1 ZINC000912603067 640134398 /nfs/dbraw/zinc/13/43/98/640134398.db2.gz BIFWXLYHYJXQEX-UHFFFAOYSA-N 2 0 240.307 -0.665 20 0 BBADRP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)CCO ZINC000912607114 640137213 /nfs/dbraw/zinc/13/72/13/640137213.db2.gz QWSKTBTWDNVJDR-UHFFFAOYSA-N 2 0 245.367 -0.289 20 0 BBADRP CN(CC[N@H+](C)CCO)C(=O)C[NH+]1CCCC1 ZINC000912607527 640138181 /nfs/dbraw/zinc/13/81/81/640138181.db2.gz HGILMDWHVPEALN-UHFFFAOYSA-N 2 0 243.351 -0.535 20 0 BBADRP CC[C@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+](C)C ZINC000912608437 640135367 /nfs/dbraw/zinc/13/53/67/640135367.db2.gz VNPHWFGSHQUVLW-LLVKDONJSA-N 2 0 245.367 -0.291 20 0 BBADRP CC[C@@H](C(=O)N(C)CC[N@H+](C)CCO)[NH+](C)C ZINC000912608438 640138655 /nfs/dbraw/zinc/13/86/55/640138655.db2.gz VNPHWFGSHQUVLW-NSHDSACASA-N 2 0 245.367 -0.291 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CCO ZINC000912609097 640136318 /nfs/dbraw/zinc/13/63/18/640136318.db2.gz XSISRSTVEJLEAS-UHFFFAOYSA-N 2 0 245.367 -0.291 20 0 BBADRP CN(CC[N@H+](C)CCO)C(=O)Cc1cnc[nH]1 ZINC000912611527 640138384 /nfs/dbraw/zinc/13/83/84/640138384.db2.gz DLXONVOCMJQKPM-UHFFFAOYSA-N 2 0 240.307 -0.665 20 0 BBADRP CN1CCN(C(=O)C[NH+]2CCCC2)[C@@H](CO)C1 ZINC000912741213 640188640 /nfs/dbraw/zinc/18/86/40/640188640.db2.gz OFUJRIYQHKWFDC-LLVKDONJSA-N 2 0 241.335 -0.783 20 0 BBADRP CN1CCN(C(=O)C[NH+]2CCCC2)[C@H](CO)C1 ZINC000912741214 640189494 /nfs/dbraw/zinc/18/94/94/640189494.db2.gz OFUJRIYQHKWFDC-NSHDSACASA-N 2 0 241.335 -0.783 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913551358 640395964 /nfs/dbraw/zinc/39/59/64/640395964.db2.gz ONJYVDGXJIENNE-LLVKDONJSA-N 2 0 243.351 -0.539 20 0 BBADRP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@H](CO)C1 ZINC000913551359 640397711 /nfs/dbraw/zinc/39/77/11/640397711.db2.gz ONJYVDGXJIENNE-NSHDSACASA-N 2 0 243.351 -0.539 20 0 BBADRP C[N@@H+]1CC[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913629775 641432851 /nfs/dbraw/zinc/43/28/51/641432851.db2.gz MGNSWBAOFSQHTR-JTQLQIEISA-N 2 0 223.320 -0.098 20 0 BBADRP C[N@@H+]1CC[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913629776 641432411 /nfs/dbraw/zinc/43/24/11/641432411.db2.gz MGNSWBAOFSQHTR-SNVBAGLBSA-N 2 0 223.320 -0.098 20 0 BBADRP C[C@@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](C)C ZINC000913630667 641435102 /nfs/dbraw/zinc/43/51/02/641435102.db2.gz IJKYEFXROYSWHV-VIFPVBQESA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](C)C ZINC000913636482 641439054 /nfs/dbraw/zinc/43/90/54/641439054.db2.gz IJKYEFXROYSWHV-SECBINFHSA-N 2 0 211.309 -0.099 20 0 BBADRP C[C@H](CNC(=S)NCC[NH+](C)C)[NH+](C)C ZINC000914705537 641754806 /nfs/dbraw/zinc/75/48/06/641754806.db2.gz XJCZDMXPRLGEED-SECBINFHSA-N 2 0 232.397 -0.038 20 0 BBADRP CN1CC[C@@](O)(C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921998155 643841395 /nfs/dbraw/zinc/84/13/95/643841395.db2.gz FTCFFONJCAYQBE-GFCCVEGCSA-N 2 0 237.303 -0.057 20 0 BBADRP CN1CC[C@](O)(C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921998156 643841120 /nfs/dbraw/zinc/84/11/20/643841120.db2.gz FTCFFONJCAYQBE-LBPRGKRZSA-N 2 0 237.303 -0.057 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000922479092 644000457 /nfs/dbraw/zinc/00/04/57/644000457.db2.gz QHOVTMXTRYLODY-UWVGGRQHSA-N 2 0 228.340 -0.060 20 0 BBADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000922479094 644000959 /nfs/dbraw/zinc/00/09/59/644000959.db2.gz QHOVTMXTRYLODY-VHSXEESVSA-N 2 0 228.340 -0.060 20 0 BBADRP Cn1cncc1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000922515993 644005776 /nfs/dbraw/zinc/00/57/76/644005776.db2.gz NUFCAIJYXZPVQV-SECBINFHSA-N 2 0 237.307 -0.077 20 0 BBADRP Cn1cncc1CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000922515994 644005943 /nfs/dbraw/zinc/00/59/43/644005943.db2.gz NUFCAIJYXZPVQV-VIFPVBQESA-N 2 0 237.307 -0.077 20 0 BBADRP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](C)C ZINC000922742688 644086438 /nfs/dbraw/zinc/08/64/38/644086438.db2.gz JWIFJLCVWJVVET-UWVGGRQHSA-N 2 0 228.340 -0.060 20 0 BBADRP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+](C)C ZINC000922742691 644086538 /nfs/dbraw/zinc/08/65/38/644086538.db2.gz JWIFJLCVWJVVET-VHSXEESVSA-N 2 0 228.340 -0.060 20 0 BBADRP C[NH+](C)CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000923002740 644225825 /nfs/dbraw/zinc/22/58/25/644225825.db2.gz OMQCHVRSIIOFLF-UHFFFAOYSA-N 2 0 228.340 -0.059 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923275276 644309522 /nfs/dbraw/zinc/30/95/22/644309522.db2.gz YULTXXOPRHZSJS-NXEZZACHSA-N 2 0 211.309 -0.602 20 0 BBADRP [NH3+][C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923275278 644309861 /nfs/dbraw/zinc/30/98/61/644309861.db2.gz YULTXXOPRHZSJS-ZJUUUORDSA-N 2 0 211.309 -0.602 20 0 BBADRP C([C@H]1CC2(C[NH2+]C2)CO1)N1CCC[NH2+]CC1 ZINC000923277681 644309279 /nfs/dbraw/zinc/30/92/79/644309279.db2.gz KDJWDMPZOIGLSK-LLVKDONJSA-N 2 0 225.336 -0.340 20 0 BBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCC[NH2+]CC1 ZINC000923277682 644308733 /nfs/dbraw/zinc/30/87/33/644308733.db2.gz KDJWDMPZOIGLSK-NSHDSACASA-N 2 0 225.336 -0.340 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923277847 644309799 /nfs/dbraw/zinc/30/97/99/644309799.db2.gz LZLUXYFXRYRTSR-GHMZBOCLSA-N 2 0 225.336 -0.341 20 0 BBADRP C[NH2+][C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923277850 644309593 /nfs/dbraw/zinc/30/95/93/644309593.db2.gz LZLUXYFXRYRTSR-MNOVXSKESA-N 2 0 225.336 -0.341 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923277852 644309038 /nfs/dbraw/zinc/30/90/38/644309038.db2.gz LZLUXYFXRYRTSR-QWRGUYRKSA-N 2 0 225.336 -0.341 20 0 BBADRP C[NH2+][C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923277854 644309846 /nfs/dbraw/zinc/30/98/46/644309846.db2.gz LZLUXYFXRYRTSR-WDEREUQCSA-N 2 0 225.336 -0.341 20 0 BBADRP [NH3+]CC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000923277997 644309335 /nfs/dbraw/zinc/30/93/35/644309335.db2.gz USCYKJKBGDLGRZ-GFCCVEGCSA-N 2 0 238.335 -0.085 20 0 BBADRP [NH3+]CC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000923277998 644309691 /nfs/dbraw/zinc/30/96/91/644309691.db2.gz USCYKJKBGDLGRZ-LBPRGKRZSA-N 2 0 238.335 -0.085 20 0 BBADRP CCOCC[C@@H](O)CN1CC[C@@H]([NH3+])C1 ZINC000923278510 644312860 /nfs/dbraw/zinc/31/28/60/644312860.db2.gz UOAJHFIMTUGLER-NXEZZACHSA-N 2 0 202.298 -0.193 20 0 BBADRP CCOCC[C@H](O)CN1CC[C@@H]([NH3+])C1 ZINC000923278512 644310782 /nfs/dbraw/zinc/31/07/82/644310782.db2.gz UOAJHFIMTUGLER-ZJUUUORDSA-N 2 0 202.298 -0.193 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923279798 644311517 /nfs/dbraw/zinc/31/15/17/644311517.db2.gz DBDVUPXGZISQCP-GHMZBOCLSA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923279800 644310632 /nfs/dbraw/zinc/31/06/32/644310632.db2.gz DBDVUPXGZISQCP-MNOVXSKESA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@H]1C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923279801 644312380 /nfs/dbraw/zinc/31/23/80/644312380.db2.gz DBDVUPXGZISQCP-QWRGUYRKSA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@H]1C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923279803 644311174 /nfs/dbraw/zinc/31/11/74/644311174.db2.gz DBDVUPXGZISQCP-WDEREUQCSA-N 2 0 225.336 -0.341 20 0 BBADRP C[N@H+](C[C@@H](O)Cn1cccn1)C1CC[NH2+]CC1 ZINC000923280317 644316165 /nfs/dbraw/zinc/31/61/65/644316165.db2.gz WRNZNEMVPBAXBA-GFCCVEGCSA-N 2 0 238.335 -0.072 20 0 BBADRP C[N@H+](C[C@H](O)Cn1cccn1)C1CC[NH2+]CC1 ZINC000923280318 644314257 /nfs/dbraw/zinc/31/42/57/644314257.db2.gz WRNZNEMVPBAXBA-LBPRGKRZSA-N 2 0 238.335 -0.072 20 0 BBADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923280484 644314366 /nfs/dbraw/zinc/31/43/66/644314366.db2.gz IWPYDNFSOBFRMS-NEPJUHHUSA-N 2 0 238.335 -0.085 20 0 BBADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923280486 644315712 /nfs/dbraw/zinc/31/57/12/644315712.db2.gz IWPYDNFSOBFRMS-NWDGAFQWSA-N 2 0 238.335 -0.085 20 0 BBADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923280488 644315850 /nfs/dbraw/zinc/31/58/50/644315850.db2.gz IWPYDNFSOBFRMS-RYUDHWBXSA-N 2 0 238.335 -0.085 20 0 BBADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923280490 644314603 /nfs/dbraw/zinc/31/46/03/644314603.db2.gz IWPYDNFSOBFRMS-VXGBXAGGSA-N 2 0 238.335 -0.085 20 0 BBADRP [NH3+][C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280822 644316106 /nfs/dbraw/zinc/31/61/06/644316106.db2.gz JOKZNJMIVUHJQS-GHMZBOCLSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280823 644314484 /nfs/dbraw/zinc/31/44/84/644314484.db2.gz JOKZNJMIVUHJQS-MNOVXSKESA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280824 644314585 /nfs/dbraw/zinc/31/45/85/644314585.db2.gz JOKZNJMIVUHJQS-QWRGUYRKSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+][C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280825 644315996 /nfs/dbraw/zinc/31/59/96/644315996.db2.gz JOKZNJMIVUHJQS-WDEREUQCSA-N 2 0 225.336 -0.212 20 0 BBADRP CSC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923281022 644315300 /nfs/dbraw/zinc/31/53/00/644315300.db2.gz LLBMAFUXFWMFCM-BDAKNGLRSA-N 2 0 204.339 -0.009 20 0 BBADRP CSC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281024 644313677 /nfs/dbraw/zinc/31/36/77/644313677.db2.gz LLBMAFUXFWMFCM-DTWKUNHWSA-N 2 0 204.339 -0.009 20 0 BBADRP CSC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281026 644316094 /nfs/dbraw/zinc/31/60/94/644316094.db2.gz LLBMAFUXFWMFCM-IUCAKERBSA-N 2 0 204.339 -0.009 20 0 BBADRP CSC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923281028 644315266 /nfs/dbraw/zinc/31/52/66/644315266.db2.gz LLBMAFUXFWMFCM-RKDXNWHRSA-N 2 0 204.339 -0.009 20 0 BBADRP [NH3+][C@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923282936 644318610 /nfs/dbraw/zinc/31/86/10/644318610.db2.gz YULTXXOPRHZSJS-UWVGGRQHSA-N 2 0 211.309 -0.602 20 0 BBADRP [NH3+][C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923282938 644318387 /nfs/dbraw/zinc/31/83/87/644318387.db2.gz YULTXXOPRHZSJS-VHSXEESVSA-N 2 0 211.309 -0.602 20 0 BBADRP C[NH2+][C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923284106 644309419 /nfs/dbraw/zinc/30/94/19/644309419.db2.gz HLTRQSPTASECPM-NAKRPEOUSA-N 2 0 213.325 -0.479 20 0 BBADRP C[NH2+][C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923284107 644308662 /nfs/dbraw/zinc/30/86/62/644308662.db2.gz HLTRQSPTASECPM-VLEAKVRGSA-N 2 0 213.325 -0.479 20 0 BBADRP C[C@@H]([NH3+])C1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923284239 644309933 /nfs/dbraw/zinc/30/99/33/644309933.db2.gz JYKIDOFYMNSFKO-QTKMDUPCSA-N 3 0 227.352 -0.104 20 0 BBADRP C[C@H]([NH3+])C1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923284240 644309495 /nfs/dbraw/zinc/30/94/95/644309495.db2.gz JYKIDOFYMNSFKO-VGDYDELISA-N 3 0 227.352 -0.104 20 0 BBADRP CN(CCC[NH2+]C1CC1)CCN1CC[NH2+]CC1 ZINC000923285947 644321091 /nfs/dbraw/zinc/32/10/91/644321091.db2.gz JYQPJNOCQIWBAP-UHFFFAOYSA-N 2 0 240.395 -0.035 20 0 BBADRP CSC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000923286573 644321396 /nfs/dbraw/zinc/32/13/96/644321396.db2.gz OQUIDXWSOSGBNE-LLVKDONJSA-N 2 0 247.408 -0.453 20 0 BBADRP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]1 ZINC000923286762 644320394 /nfs/dbraw/zinc/32/03/94/644320394.db2.gz ODBXUOHLVSKBPK-GHMZBOCLSA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]1 ZINC000923286763 644320962 /nfs/dbraw/zinc/32/09/62/644320962.db2.gz ODBXUOHLVSKBPK-MNOVXSKESA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]1 ZINC000923286764 644321601 /nfs/dbraw/zinc/32/16/01/644321601.db2.gz ODBXUOHLVSKBPK-QWRGUYRKSA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]1 ZINC000923286765 644319904 /nfs/dbraw/zinc/31/99/04/644319904.db2.gz ODBXUOHLVSKBPK-WDEREUQCSA-N 2 0 225.336 -0.341 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286950 644320683 /nfs/dbraw/zinc/32/06/83/644320683.db2.gz BWBVSCOSYYKINY-DGORSVRFSA-N 3 0 227.352 -0.104 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286953 644321363 /nfs/dbraw/zinc/32/13/63/644321363.db2.gz BWBVSCOSYYKINY-GCHJQGSQSA-N 3 0 227.352 -0.104 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286955 644319972 /nfs/dbraw/zinc/31/99/72/644319972.db2.gz BWBVSCOSYYKINY-HTFCKZLJSA-N 3 0 227.352 -0.104 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923286957 644320743 /nfs/dbraw/zinc/32/07/43/644320743.db2.gz BWBVSCOSYYKINY-OSUNSFLBSA-N 3 0 227.352 -0.104 20 0 BBADRP CN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000923288549 644322793 /nfs/dbraw/zinc/32/27/93/644322793.db2.gz XSJQHFDTJZHDKG-GHMZBOCLSA-N 2 0 225.336 -0.341 20 0 BBADRP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000923288551 644324577 /nfs/dbraw/zinc/32/45/77/644324577.db2.gz XSJQHFDTJZHDKG-MNOVXSKESA-N 2 0 225.336 -0.341 20 0 BBADRP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000923288553 644322251 /nfs/dbraw/zinc/32/22/51/644322251.db2.gz XSJQHFDTJZHDKG-QWRGUYRKSA-N 2 0 225.336 -0.341 20 0 BBADRP CN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000923288555 644323564 /nfs/dbraw/zinc/32/35/64/644323564.db2.gz XSJQHFDTJZHDKG-WDEREUQCSA-N 2 0 225.336 -0.341 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288583 644323649 /nfs/dbraw/zinc/32/36/49/644323649.db2.gz LDEFETMCSSSGRL-KXUCPTDWSA-N 2 0 202.298 -0.337 20 0 BBADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288789 644324557 /nfs/dbraw/zinc/32/45/57/644324557.db2.gz CKURPPNIRWANPF-NEPJUHHUSA-N 3 0 239.363 -0.094 20 0 BBADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288792 644321876 /nfs/dbraw/zinc/32/18/76/644321876.db2.gz CKURPPNIRWANPF-NWDGAFQWSA-N 3 0 239.363 -0.094 20 0 BBADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288799 644323934 /nfs/dbraw/zinc/32/39/34/644323934.db2.gz CKURPPNIRWANPF-RYUDHWBXSA-N 3 0 239.363 -0.094 20 0 BBADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923288802 644323572 /nfs/dbraw/zinc/32/35/72/644323572.db2.gz CKURPPNIRWANPF-VXGBXAGGSA-N 3 0 239.363 -0.094 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CC[C@H]1[NH3+] ZINC000923289057 644324065 /nfs/dbraw/zinc/32/40/65/644324065.db2.gz DYSMZXSFMOPNSN-GRYCIOLGSA-N 2 0 238.335 -0.087 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CC[C@H]1[NH3+] ZINC000923289058 644323047 /nfs/dbraw/zinc/32/30/47/644323047.db2.gz DYSMZXSFMOPNSN-IJLUTSLNSA-N 2 0 238.335 -0.087 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CC[C@@H]1[NH3+] ZINC000923289059 644324224 /nfs/dbraw/zinc/32/42/24/644324224.db2.gz DYSMZXSFMOPNSN-UTUOFQBUSA-N 2 0 238.335 -0.087 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CC[C@@H]1[NH3+] ZINC000923289060 644323167 /nfs/dbraw/zinc/32/31/67/644323167.db2.gz DYSMZXSFMOPNSN-WOPDTQHZSA-N 2 0 238.335 -0.087 20 0 BBADRP C[C@H](C[NH3+])N(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923289794 644323547 /nfs/dbraw/zinc/32/35/47/644323547.db2.gz MBBHFCBYNKBJNX-NXEZZACHSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H](C[NH3+])N(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923289795 644322298 /nfs/dbraw/zinc/32/22/98/644322298.db2.gz MBBHFCBYNKBJNX-UWVGGRQHSA-N 2 0 213.325 -0.356 20 0 BBADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923290000 644324186 /nfs/dbraw/zinc/32/41/86/644324186.db2.gz LBRVCNOZVULWPI-NEPJUHHUSA-N 2 0 238.335 -0.215 20 0 BBADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923290002 644322764 /nfs/dbraw/zinc/32/27/64/644322764.db2.gz LBRVCNOZVULWPI-NWDGAFQWSA-N 2 0 238.335 -0.215 20 0 BBADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923290003 644324733 /nfs/dbraw/zinc/32/47/33/644324733.db2.gz LBRVCNOZVULWPI-RYUDHWBXSA-N 2 0 238.335 -0.215 20 0 BBADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923290005 644323119 /nfs/dbraw/zinc/32/31/19/644323119.db2.gz LBRVCNOZVULWPI-VXGBXAGGSA-N 2 0 238.335 -0.215 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923290096 644323097 /nfs/dbraw/zinc/32/30/97/644323097.db2.gz BCZRLBWCIRMECM-JTQLQIEISA-N 3 0 213.325 -0.355 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923290097 644324321 /nfs/dbraw/zinc/32/43/21/644324321.db2.gz BCZRLBWCIRMECM-SNVBAGLBSA-N 3 0 213.325 -0.355 20 0 BBADRP C[C@@H](C[NH3+])N(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923290589 644325456 /nfs/dbraw/zinc/32/54/56/644325456.db2.gz MBBHFCBYNKBJNX-VHSXEESVSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@H](C[NH3+])N(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923290590 644325238 /nfs/dbraw/zinc/32/52/38/644325238.db2.gz MBBHFCBYNKBJNX-ZJUUUORDSA-N 2 0 213.325 -0.356 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923290741 644325867 /nfs/dbraw/zinc/32/58/67/644325867.db2.gz KFASFDNRWZLSOO-NEPJUHHUSA-N 2 0 246.351 -0.177 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@H](O)COC[C@H]1CCCO1 ZINC000923290742 644325086 /nfs/dbraw/zinc/32/50/86/644325086.db2.gz KFASFDNRWZLSOO-NWDGAFQWSA-N 2 0 246.351 -0.177 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@H](O)COC[C@@H]1CCCO1 ZINC000923290743 644326943 /nfs/dbraw/zinc/32/69/43/644326943.db2.gz KFASFDNRWZLSOO-RYUDHWBXSA-N 2 0 246.351 -0.177 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@@H](O)COC[C@H]1CCCO1 ZINC000923290744 644326631 /nfs/dbraw/zinc/32/66/31/644326631.db2.gz KFASFDNRWZLSOO-VXGBXAGGSA-N 2 0 246.351 -0.177 20 0 BBADRP CN1CC(=O)N(CC[N@H+](C)CCC[NH3+])C1=O ZINC000923291176 644325409 /nfs/dbraw/zinc/32/54/09/644325409.db2.gz OHXYLLMWJQSFII-UHFFFAOYSA-N 2 0 228.296 -0.839 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@H](O)Cn1cccn1 ZINC000923292064 644329283 /nfs/dbraw/zinc/32/92/83/644329283.db2.gz SJEJUNLXRBCKDL-JTQLQIEISA-N 2 0 212.297 -0.475 20 0 BBADRP C[N@H+](CCC[NH3+])C[C@@H](O)Cn1cccn1 ZINC000923292066 644329388 /nfs/dbraw/zinc/32/93/88/644329388.db2.gz SJEJUNLXRBCKDL-SNVBAGLBSA-N 2 0 212.297 -0.475 20 0 BBADRP [NH3+]C[C@H]1CCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923292167 644328009 /nfs/dbraw/zinc/32/80/09/644328009.db2.gz HOPRKSPTHHKAJN-GHMZBOCLSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@H]1CCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923292169 644329301 /nfs/dbraw/zinc/32/93/01/644329301.db2.gz HOPRKSPTHHKAJN-MNOVXSKESA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@@H]1CCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923292171 644330526 /nfs/dbraw/zinc/33/05/26/644330526.db2.gz HOPRKSPTHHKAJN-QWRGUYRKSA-N 2 0 225.336 -0.212 20 0 BBADRP [NH3+]C[C@@H]1CCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923292172 644329532 /nfs/dbraw/zinc/32/95/32/644329532.db2.gz HOPRKSPTHHKAJN-WDEREUQCSA-N 2 0 225.336 -0.212 20 0 BBADRP CN(CC(C)(C)C[NH3+])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923294115 644329466 /nfs/dbraw/zinc/32/94/66/644329466.db2.gz HHYVDSCJEBZXJU-GUBZILKMSA-N 2 0 215.341 -0.246 20 0 BBADRP COC[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923296158 644336275 /nfs/dbraw/zinc/33/62/75/644336275.db2.gz OCTPXKDWQHPTPW-NXEZZACHSA-N 2 0 204.314 -0.043 20 0 BBADRP COC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923296159 644334894 /nfs/dbraw/zinc/33/48/94/644334894.db2.gz OCTPXKDWQHPTPW-ZJUUUORDSA-N 2 0 204.314 -0.043 20 0 BBADRP C[N@H+](C[C@@H]1CCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300206 644325312 /nfs/dbraw/zinc/32/53/12/644325312.db2.gz DVOWIDRQZIZQTA-NAKRPEOUSA-N 2 0 214.309 -0.052 20 0 BBADRP C[N@H+](C[C@H]1CCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300307 644328748 /nfs/dbraw/zinc/32/87/48/644328748.db2.gz DVOWIDRQZIZQTA-VLEAKVRGSA-N 2 0 214.309 -0.052 20 0 BBADRP C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923300603 644337958 /nfs/dbraw/zinc/33/79/58/644337958.db2.gz XOAZTYVXFNDYFG-SSRBZLIGSA-N 2 0 214.309 -0.054 20 0 BBADRP COCC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300713 644338751 /nfs/dbraw/zinc/33/87/51/644338751.db2.gz KBOCUZORIWOQTQ-JTQLQIEISA-N 2 0 214.309 -0.057 20 0 BBADRP COCC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300714 644338622 /nfs/dbraw/zinc/33/86/22/644338622.db2.gz KBOCUZORIWOQTQ-SNVBAGLBSA-N 2 0 214.309 -0.057 20 0 BBADRP CC(C)NC(=O)CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300797 644337975 /nfs/dbraw/zinc/33/79/75/644337975.db2.gz AMNFHRCUJLHZIG-GUBZILKMSA-N 2 0 229.324 -0.707 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCSCC2)C1 ZINC000923301024 644338024 /nfs/dbraw/zinc/33/80/24/644338024.db2.gz NMGFKNJUYCFFIN-CIUDSAMLSA-N 2 0 202.323 -0.114 20 0 BBADRP OCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923303215 644341285 /nfs/dbraw/zinc/34/12/85/644341285.db2.gz AGOMTYCJLPAAJN-LLVKDONJSA-N 2 0 226.320 -0.178 20 0 BBADRP OCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923303217 644341104 /nfs/dbraw/zinc/34/11/04/644341104.db2.gz AGOMTYCJLPAAJN-NSHDSACASA-N 2 0 226.320 -0.178 20 0 BBADRP CCN(CC(=O)N(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303335 644339713 /nfs/dbraw/zinc/33/97/13/644339713.db2.gz BYYJXRUVKPLIRL-GUBZILKMSA-N 2 0 229.324 -0.753 20 0 BBADRP CC[N@@H+](CC(=O)NC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304688 644340652 /nfs/dbraw/zinc/34/06/52/644340652.db2.gz RFPVYPDNPBACMO-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP CC[N@@H+](CC(=O)NC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304689 644342222 /nfs/dbraw/zinc/34/22/22/644342222.db2.gz RFPVYPDNPBACMO-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP CO[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306205 644341761 /nfs/dbraw/zinc/34/17/61/644341761.db2.gz RMGKLVZCUGUROM-NAKRPEOUSA-N 2 0 214.309 -0.052 20 0 BBADRP CO[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306206 644342427 /nfs/dbraw/zinc/34/24/27/644342427.db2.gz RMGKLVZCUGUROM-VLEAKVRGSA-N 2 0 214.309 -0.052 20 0 BBADRP CNC(=O)CC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311793 644346900 /nfs/dbraw/zinc/34/69/00/644346900.db2.gz XAVFFZLSZTYAHM-JTQLQIEISA-N 2 0 241.335 -0.567 20 0 BBADRP CNC(=O)CC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311794 644347086 /nfs/dbraw/zinc/34/70/86/644347086.db2.gz XAVFFZLSZTYAHM-SNVBAGLBSA-N 2 0 241.335 -0.567 20 0 BBADRP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCCO1 ZINC000923313391 644341314 /nfs/dbraw/zinc/34/13/14/644341314.db2.gz XUNRFYGKSBPUCF-NAKRPEOUSA-N 2 0 214.309 -0.052 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCCO1 ZINC000923313392 644341902 /nfs/dbraw/zinc/34/19/02/644341902.db2.gz XUNRFYGKSBPUCF-RCWTZXSCSA-N 2 0 214.309 -0.052 20 0 BBADRP CNC(=O)[C@H](C)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314584 644341827 /nfs/dbraw/zinc/34/18/27/644341827.db2.gz KAARQSSCSQXPJY-KATARQTJSA-N 2 0 229.324 -0.849 20 0 BBADRP CNC(=O)[C@@H](C)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314586 644340317 /nfs/dbraw/zinc/34/03/17/644340317.db2.gz KAARQSSCSQXPJY-XKNYDFJKSA-N 2 0 229.324 -0.849 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)C1 ZINC000923314591 644340748 /nfs/dbraw/zinc/34/07/48/644340748.db2.gz KEQBWNKOOAIOTN-BJDJZHNGSA-N 2 0 226.320 -0.051 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000923314595 644340099 /nfs/dbraw/zinc/34/00/99/644340099.db2.gz KEQBWNKOOAIOTN-FIQHERPVSA-N 2 0 226.320 -0.051 20 0 BBADRP C[N@H+](C[C@@H]1CCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314888 644342566 /nfs/dbraw/zinc/34/25/66/644342566.db2.gz MTCRSKMEYFOXFE-NAKRPEOUSA-N 2 0 214.309 -0.195 20 0 BBADRP C[N@H+](C[C@H]1CCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314889 644344397 /nfs/dbraw/zinc/34/43/97/644344397.db2.gz MTCRSKMEYFOXFE-RCWTZXSCSA-N 2 0 214.309 -0.195 20 0 BBADRP CO[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315531 644343031 /nfs/dbraw/zinc/34/30/31/644343031.db2.gz JCHJDMWRUSIDGW-JXUBOQSCSA-N 2 0 200.282 -0.442 20 0 BBADRP NC(=O)C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316669 644342945 /nfs/dbraw/zinc/34/29/45/644342945.db2.gz MGWMVPYCAFABOS-NAKRPEOUSA-N 2 0 241.335 -0.576 20 0 BBADRP NC(=O)C[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316671 644344460 /nfs/dbraw/zinc/34/44/60/644344460.db2.gz MGWMVPYCAFABOS-RCWTZXSCSA-N 2 0 241.335 -0.576 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC000923321099 644349940 /nfs/dbraw/zinc/34/99/40/644349940.db2.gz KFAYAEJVSGGFFP-AVGNSLFASA-N 2 0 239.363 -0.135 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000923323385 644351339 /nfs/dbraw/zinc/35/13/39/644351339.db2.gz SUWQPGOPKOXTIA-BJDJZHNGSA-N 2 0 225.336 -0.383 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000923323386 644351768 /nfs/dbraw/zinc/35/17/68/644351768.db2.gz SUWQPGOPKOXTIA-USZNOCQGSA-N 2 0 225.336 -0.383 20 0 BBADRP CN(Cc1cnccn1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923323450 644353013 /nfs/dbraw/zinc/35/30/13/644353013.db2.gz ZABHHXTTXFRCFB-LSJOCFKGSA-N 2 0 222.292 -0.241 20 0 BBADRP C[NH+](C)[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923323731 644352016 /nfs/dbraw/zinc/35/20/16/644352016.db2.gz LNSUFDUVMKAMMS-BJDJZHNGSA-N 2 0 227.352 -0.137 20 0 BBADRP C[NH+](C)[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923323732 644351445 /nfs/dbraw/zinc/35/14/45/644351445.db2.gz LNSUFDUVMKAMMS-USZNOCQGSA-N 2 0 227.352 -0.137 20 0 BBADRP CN(Cc1cn[nH]c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923324367 644352739 /nfs/dbraw/zinc/35/27/39/644352739.db2.gz GCCYULAGFJQKDE-GUBZILKMSA-N 2 0 210.281 -0.308 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000923327947 644346008 /nfs/dbraw/zinc/34/60/08/644346008.db2.gz PWBRCPLFMSBZQD-SRVKXCTJSA-N 3 0 239.363 -0.088 20 0 BBADRP COCC[N@H+](C)C[C@H](O)CNCC1([NH3+])CCC1 ZINC000923330223 644349266 /nfs/dbraw/zinc/34/92/66/644349266.db2.gz ALINNLZHNUIREA-LLVKDONJSA-N 2 0 245.367 -0.604 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CNCC1([NH3+])CCC1 ZINC000923330224 644349030 /nfs/dbraw/zinc/34/90/30/644349030.db2.gz ALINNLZHNUIREA-NSHDSACASA-N 2 0 245.367 -0.604 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923332506 644354969 /nfs/dbraw/zinc/35/49/69/644354969.db2.gz QSFWCANIGGQKFR-QJPTWQEYSA-N 2 0 238.335 -0.087 20 0 BBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923332508 644355511 /nfs/dbraw/zinc/35/55/11/644355511.db2.gz QSFWCANIGGQKFR-SDDRHHMPSA-N 2 0 238.335 -0.087 20 0 BBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923332509 644354570 /nfs/dbraw/zinc/35/45/70/644354570.db2.gz QSFWCANIGGQKFR-SRVKXCTJSA-N 2 0 238.335 -0.087 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923332511 644355367 /nfs/dbraw/zinc/35/53/67/644355367.db2.gz QSFWCANIGGQKFR-TUAOUCFPSA-N 2 0 238.335 -0.087 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000923332779 644353901 /nfs/dbraw/zinc/35/39/01/644353901.db2.gz NKJOZBDEIULVOX-ISFYIQIJSA-N 3 0 239.363 -0.104 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000923332780 644354179 /nfs/dbraw/zinc/35/41/79/644354179.db2.gz NKJOZBDEIULVOX-PJGZEUCASA-N 3 0 239.363 -0.104 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])C1 ZINC000923332781 644355692 /nfs/dbraw/zinc/35/56/92/644355692.db2.gz NKJOZBDEIULVOX-USTYEKHQSA-N 3 0 239.363 -0.104 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000923332782 644355086 /nfs/dbraw/zinc/35/50/86/644355086.db2.gz NKJOZBDEIULVOX-ZJJIEKDWSA-N 3 0 239.363 -0.104 20 0 BBADRP [NH3+]CCN(CCO)CCC[NH2+]C1CC1 ZINC000923332971 644353998 /nfs/dbraw/zinc/35/39/98/644353998.db2.gz YMRYDGWIJTZBJO-UHFFFAOYSA-N 2 0 201.314 -0.619 20 0 BBADRP [NH3+]C[C@@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923333261 644354234 /nfs/dbraw/zinc/35/42/34/644354234.db2.gz PRWVQTVHGQFNNA-LLVKDONJSA-N 2 0 213.325 -0.212 20 0 BBADRP [NH3+]C[C@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923333262 644353798 /nfs/dbraw/zinc/35/37/98/644353798.db2.gz PRWVQTVHGQFNNA-NSHDSACASA-N 2 0 213.325 -0.212 20 0 BBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923333727 644355508 /nfs/dbraw/zinc/35/55/08/644355508.db2.gz RUORSPYHRNHFJU-GHMZBOCLSA-N 2 0 246.351 -0.130 20 0 BBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923333728 644353807 /nfs/dbraw/zinc/35/38/07/644353807.db2.gz RUORSPYHRNHFJU-MNOVXSKESA-N 2 0 246.351 -0.130 20 0 BBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923333729 644354942 /nfs/dbraw/zinc/35/49/42/644354942.db2.gz RUORSPYHRNHFJU-QWRGUYRKSA-N 2 0 246.351 -0.130 20 0 BBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923333730 644355170 /nfs/dbraw/zinc/35/51/70/644355170.db2.gz RUORSPYHRNHFJU-WDEREUQCSA-N 2 0 246.351 -0.130 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923333793 644354191 /nfs/dbraw/zinc/35/41/91/644354191.db2.gz SMIQYPKJBBNGRD-GHMZBOCLSA-N 2 0 241.335 -0.976 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923333794 644354609 /nfs/dbraw/zinc/35/46/09/644354609.db2.gz SMIQYPKJBBNGRD-MNOVXSKESA-N 2 0 241.335 -0.976 20 0 BBADRP [NH3+]C[C@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923333795 644355311 /nfs/dbraw/zinc/35/53/11/644355311.db2.gz SMIQYPKJBBNGRD-QWRGUYRKSA-N 2 0 241.335 -0.976 20 0 BBADRP [NH3+]C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923333796 644354724 /nfs/dbraw/zinc/35/47/24/644354724.db2.gz SMIQYPKJBBNGRD-WDEREUQCSA-N 2 0 241.335 -0.976 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]12 ZINC000923334162 644353635 /nfs/dbraw/zinc/35/36/35/644353635.db2.gz TYBHJPCTZQERGI-MCNAKINOSA-N 3 0 225.336 -0.494 20 0 BBADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]12 ZINC000923334163 644355193 /nfs/dbraw/zinc/35/51/93/644355193.db2.gz TYBHJPCTZQERGI-QUHKTUSISA-N 3 0 225.336 -0.494 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]12 ZINC000923334164 644354762 /nfs/dbraw/zinc/35/47/62/644354762.db2.gz TYBHJPCTZQERGI-UQPICLANSA-N 3 0 225.336 -0.494 20 0 BBADRP [NH3+][C@@H]1CC[C@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]12 ZINC000923334165 644354049 /nfs/dbraw/zinc/35/40/49/644354049.db2.gz TYBHJPCTZQERGI-URIQBSJHSA-N 3 0 225.336 -0.494 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923334174 644355515 /nfs/dbraw/zinc/35/55/15/644355515.db2.gz UJIUWYYOFFKPNN-MMWGEVLESA-N 2 0 214.309 -0.337 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923334175 644354586 /nfs/dbraw/zinc/35/45/86/644354586.db2.gz UJIUWYYOFFKPNN-NAKRPEOUSA-N 2 0 214.309 -0.337 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923334176 644353888 /nfs/dbraw/zinc/35/38/88/644353888.db2.gz UJIUWYYOFFKPNN-UKKRHICBSA-N 2 0 214.309 -0.337 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923334177 644354836 /nfs/dbraw/zinc/35/48/36/644354836.db2.gz UJIUWYYOFFKPNN-XWLWVQCSSA-N 2 0 214.309 -0.337 20 0 BBADRP [NH3+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923344682 644365693 /nfs/dbraw/zinc/36/56/93/644365693.db2.gz SBSHYBJOFLNDCZ-DCAQKATOSA-N 2 0 243.326 -0.264 20 0 BBADRP [NH3+]C[C@@H]1C[C@H](F)CN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923344683 644364756 /nfs/dbraw/zinc/36/47/56/644364756.db2.gz SBSHYBJOFLNDCZ-GARJFASQSA-N 2 0 243.326 -0.264 20 0 BBADRP CC(C)[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[NH2+]1 ZINC000923344875 644364472 /nfs/dbraw/zinc/36/44/72/644364472.db2.gz GJYBXWFIYJSTRF-USZNOCQGSA-N 2 0 227.352 -0.233 20 0 BBADRP C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923345007 644365227 /nfs/dbraw/zinc/36/52/27/644365227.db2.gz JXEFRHZFXVGKNK-GHMZBOCLSA-N 2 0 243.351 -0.313 20 0 BBADRP C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923345011 644364666 /nfs/dbraw/zinc/36/46/66/644364666.db2.gz JXEFRHZFXVGKNK-MNOVXSKESA-N 2 0 243.351 -0.313 20 0 BBADRP C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923345015 644364561 /nfs/dbraw/zinc/36/45/61/644364561.db2.gz JXEFRHZFXVGKNK-QWRGUYRKSA-N 2 0 243.351 -0.313 20 0 BBADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923345017 644365557 /nfs/dbraw/zinc/36/55/57/644365557.db2.gz JXEFRHZFXVGKNK-WDEREUQCSA-N 2 0 243.351 -0.313 20 0 BBADRP CC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1[NH3+] ZINC000923346517 644364370 /nfs/dbraw/zinc/36/43/70/644364370.db2.gz ZROPOXWVOWPWBW-DGORSVRFSA-N 3 0 227.352 -0.104 20 0 BBADRP CC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1[NH3+] ZINC000923346518 644365915 /nfs/dbraw/zinc/36/59/15/644365915.db2.gz ZROPOXWVOWPWBW-HTFCKZLJSA-N 3 0 227.352 -0.104 20 0 BBADRP CC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1[NH3+] ZINC000923346519 644364732 /nfs/dbraw/zinc/36/47/32/644364732.db2.gz ZROPOXWVOWPWBW-LVEVGFFFSA-N 3 0 227.352 -0.104 20 0 BBADRP CC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1[NH3+] ZINC000923346520 644365841 /nfs/dbraw/zinc/36/58/41/644365841.db2.gz ZROPOXWVOWPWBW-SVNGYHJRSA-N 3 0 227.352 -0.104 20 0 BBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000923347194 644361389 /nfs/dbraw/zinc/36/13/89/644361389.db2.gz ZPKKELIQKHCXLC-JTQLQIEISA-N 2 0 229.324 -0.702 20 0 BBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000923347195 644360229 /nfs/dbraw/zinc/36/02/29/644360229.db2.gz ZPKKELIQKHCXLC-SNVBAGLBSA-N 2 0 229.324 -0.702 20 0 BBADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923350076 644362107 /nfs/dbraw/zinc/36/21/07/644362107.db2.gz ZPUBMMCLIMESBU-BJDJZHNGSA-N 3 0 227.352 -0.102 20 0 BBADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923350077 644363023 /nfs/dbraw/zinc/36/30/23/644363023.db2.gz ZPUBMMCLIMESBU-RHYQMDGZSA-N 3 0 227.352 -0.102 20 0 BBADRP Cc1cccc(NC(=O)CNC(C[NH3+])C[NH3+])c1 ZINC000923350396 644364095 /nfs/dbraw/zinc/36/40/95/644364095.db2.gz AELSMDGMLSMYTH-UHFFFAOYSA-N 2 0 236.319 -0.191 20 0 BBADRP CCCN(CCC)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923350587 644367064 /nfs/dbraw/zinc/36/70/64/644367064.db2.gz CYOBAOOSTHIGFO-UHFFFAOYSA-N 2 0 230.356 -0.489 20 0 BBADRP COc1ccc(OCCNC(C[NH3+])C[NH3+])cc1 ZINC000923350794 644366634 /nfs/dbraw/zinc/36/66/34/644366634.db2.gz DLYDQTCURIECSZ-UHFFFAOYSA-N 2 0 239.319 -0.050 20 0 BBADRP C[C@H]1CCCC[C@H]1NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923350899 644368094 /nfs/dbraw/zinc/36/80/94/644368094.db2.gz FVDVUGUWALNHBE-GXSJLCMTSA-N 2 0 242.367 -0.443 20 0 BBADRP C[C@@H]1CCCC[C@@H]1NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923350901 644366976 /nfs/dbraw/zinc/36/69/76/644366976.db2.gz FVDVUGUWALNHBE-KOLCDFICSA-N 2 0 242.367 -0.443 20 0 BBADRP C[C@@H]1CCCC[C@H]1NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923350904 644367547 /nfs/dbraw/zinc/36/75/47/644367547.db2.gz FVDVUGUWALNHBE-MWLCHTKSSA-N 2 0 242.367 -0.443 20 0 BBADRP C[C@H]1CCCC[C@@H]1NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923350906 644367440 /nfs/dbraw/zinc/36/74/40/644367440.db2.gz FVDVUGUWALNHBE-ONGXEEELSA-N 2 0 242.367 -0.443 20 0 BBADRP COc1ccccc1OCCNC(C[NH3+])C[NH3+] ZINC000923350948 644368065 /nfs/dbraw/zinc/36/80/65/644368065.db2.gz COHIRMOFIYZYPD-UHFFFAOYSA-N 2 0 239.319 -0.050 20 0 BBADRP [NH3+]CC(C[NH3+])NCc1noc2c1CCCC2 ZINC000923350992 644367015 /nfs/dbraw/zinc/36/70/15/644367015.db2.gz DNVYZBIUXKJJAU-UHFFFAOYSA-N 2 0 224.308 -0.071 20 0 BBADRP C[C@@H](NC(C[NH3+])C[NH3+])C(=O)NC1CCCCC1 ZINC000923351043 644366923 /nfs/dbraw/zinc/36/69/23/644366923.db2.gz GSCVJYJTILTVEG-SECBINFHSA-N 2 0 242.367 -0.301 20 0 BBADRP C[C@H](NC(C[NH3+])C[NH3+])C(=O)NC1CCCCC1 ZINC000923351047 644366952 /nfs/dbraw/zinc/36/69/52/644366952.db2.gz GSCVJYJTILTVEG-VIFPVBQESA-N 2 0 242.367 -0.301 20 0 BBADRP [NH3+]CC(C[NH3+])NCC(=O)Nc1cccc(F)c1 ZINC000923351050 644366758 /nfs/dbraw/zinc/36/67/58/644366758.db2.gz GTBKKTRLJMRCPD-UHFFFAOYSA-N 2 0 240.282 -0.360 20 0 BBADRP [NH3+]CC(C[NH3+])NCC(=O)NC1CCCCCC1 ZINC000923351101 644366794 /nfs/dbraw/zinc/36/67/94/644366794.db2.gz HKRTZGMIFMRUML-UHFFFAOYSA-N 2 0 242.367 -0.299 20 0 BBADRP CCCCCNC(=O)[C@@H](C)NC(C[NH3+])C[NH3+] ZINC000923351320 644367179 /nfs/dbraw/zinc/36/71/79/644367179.db2.gz HYHKUBZEMFFRAC-SECBINFHSA-N 2 0 230.356 -0.443 20 0 BBADRP CCCCCNC(=O)[C@H](C)NC(C[NH3+])C[NH3+] ZINC000923351321 644368299 /nfs/dbraw/zinc/36/82/99/644368299.db2.gz HYHKUBZEMFFRAC-VIFPVBQESA-N 2 0 230.356 -0.443 20 0 BBADRP CC(C)CN(C(=O)CNC(C[NH3+])C[NH3+])C1CC1 ZINC000923351419 644367123 /nfs/dbraw/zinc/36/71/23/644367123.db2.gz KZCSVFGHCRUVBE-UHFFFAOYSA-N 2 0 242.367 -0.491 20 0 BBADRP [NH3+]CC(C[NH3+])NCc1cn(-c2ccccc2)nn1 ZINC000923351767 644367164 /nfs/dbraw/zinc/36/71/64/644367164.db2.gz MKUIIHRPTYLAJG-UHFFFAOYSA-N 2 0 246.318 -0.357 20 0 BBADRP [NH3+]CC(C[NH3+])N[C@@H]1CCN(c2ccccc2)C1=O ZINC000923351888 644369663 /nfs/dbraw/zinc/36/96/63/644369663.db2.gz PYUPDJPXHFFIAD-GFCCVEGCSA-N 2 0 248.330 -0.333 20 0 BBADRP C[C@@H]1CCC[C@H](C)N1C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352026 644370580 /nfs/dbraw/zinc/37/05/80/644370580.db2.gz LBOFXEVDKOXBCS-AOOOYVTPSA-N 2 0 242.367 -0.349 20 0 BBADRP C[C@@H]1CCC[C@@H](C)N1C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352029 644369127 /nfs/dbraw/zinc/36/91/27/644369127.db2.gz LBOFXEVDKOXBCS-NXEZZACHSA-N 2 0 242.367 -0.349 20 0 BBADRP C[C@H]1CCC[C@H](C)N1C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352032 644370410 /nfs/dbraw/zinc/37/04/10/644370410.db2.gz LBOFXEVDKOXBCS-UWVGGRQHSA-N 2 0 242.367 -0.349 20 0 BBADRP CC1CCC(NC(=O)CNC(C[NH3+])C[NH3+])CC1 ZINC000923352204 644370236 /nfs/dbraw/zinc/37/02/36/644370236.db2.gz NQERIMGLUDUKLY-UHFFFAOYSA-N 2 0 242.367 -0.443 20 0 BBADRP CC(C)CCNC(=O)[C@@H](C)NC(C[NH3+])C[NH3+] ZINC000923352335 644370034 /nfs/dbraw/zinc/37/00/34/644370034.db2.gz VDAJQFKLJHKINR-SECBINFHSA-N 2 0 230.356 -0.587 20 0 BBADRP CC(C)CCNC(=O)[C@H](C)NC(C[NH3+])C[NH3+] ZINC000923352336 644370674 /nfs/dbraw/zinc/37/06/74/644370674.db2.gz VDAJQFKLJHKINR-VIFPVBQESA-N 2 0 230.356 -0.587 20 0 BBADRP CCc1noc(C)c1CNC(C[NH3+])C[NH3+] ZINC000923352512 644369946 /nfs/dbraw/zinc/36/99/46/644369946.db2.gz WRPCVMIMZQGWOC-UHFFFAOYSA-N 2 0 212.297 -0.079 20 0 BBADRP CC[C@@H]1CCCCN1C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352514 644369142 /nfs/dbraw/zinc/36/91/42/644369142.db2.gz OBAPYLHKCHDNOE-LLVKDONJSA-N 2 0 242.367 -0.347 20 0 BBADRP CC[C@H]1CCCCN1C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352515 644369874 /nfs/dbraw/zinc/36/98/74/644369874.db2.gz OBAPYLHKCHDNOE-NSHDSACASA-N 2 0 242.367 -0.347 20 0 BBADRP [NH3+]CC(C[NH3+])NCC(=O)NCC1CCCCC1 ZINC000923352548 644369178 /nfs/dbraw/zinc/36/91/78/644369178.db2.gz OSBRATQIKCFUEV-UHFFFAOYSA-N 2 0 242.367 -0.442 20 0 BBADRP CC(C)C[C@H](C)N(C)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352550 644369813 /nfs/dbraw/zinc/36/98/13/644369813.db2.gz XLVBAYSTQOUEMW-JTQLQIEISA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)C[C@@H](C)N(C)C(=O)CNC(C[NH3+])C[NH3+] ZINC000923352556 644368989 /nfs/dbraw/zinc/36/89/89/644368989.db2.gz XLVBAYSTQOUEMW-SNVBAGLBSA-N 2 0 244.383 -0.245 20 0 BBADRP CC(C)(C)CCNC(=O)CNC(C[NH3+])C[NH3+] ZINC000923352635 644369687 /nfs/dbraw/zinc/36/96/87/644369687.db2.gz YOTYWMSEZKUXDV-UHFFFAOYSA-N 2 0 230.356 -0.586 20 0 BBADRP CCCCCCNC(=O)CNC(C[NH3+])C[NH3+] ZINC000923353077 644370515 /nfs/dbraw/zinc/37/05/15/644370515.db2.gz SDQAZPLGBVVSOQ-UHFFFAOYSA-N 2 0 230.356 -0.442 20 0 BBADRP CN(C(=O)CNC(C[NH3+])C[NH3+])C1CCCCC1 ZINC000923353083 644369780 /nfs/dbraw/zinc/36/97/80/644369780.db2.gz SICUNQGZNALVKN-UHFFFAOYSA-N 2 0 242.367 -0.347 20 0 BBADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCc2ccccc21 ZINC000923353164 644370665 /nfs/dbraw/zinc/37/06/65/644370665.db2.gz UVLNCWRZRSGZFY-UHFFFAOYSA-N 2 0 248.330 -0.549 20 0 BBADRP CCCCC[C@H](C)NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923353402 644370445 /nfs/dbraw/zinc/37/04/45/644370445.db2.gz WNHWAOYUIMLROL-JTQLQIEISA-N 2 0 244.383 -0.053 20 0 BBADRP CCCCC[C@@H](C)NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923353403 644369579 /nfs/dbraw/zinc/36/95/79/644369579.db2.gz WNHWAOYUIMLROL-SNVBAGLBSA-N 2 0 244.383 -0.053 20 0 BBADRP CC(C)N(C(=O)[C@H](C)NC(C[NH3+])C[NH3+])C(C)C ZINC000923353404 644369521 /nfs/dbraw/zinc/36/95/21/644369521.db2.gz WNZIQIWWSDMXBP-JTQLQIEISA-N 2 0 244.383 -0.104 20 0 BBADRP CC(C)N(C(=O)[C@@H](C)NC(C[NH3+])C[NH3+])C(C)C ZINC000923353405 644370618 /nfs/dbraw/zinc/37/06/18/644370618.db2.gz WNZIQIWWSDMXBP-SNVBAGLBSA-N 2 0 244.383 -0.104 20 0 BBADRP C[C@@H]1C[C@H](C)CN(C(=O)CNC(C[NH3+])C[NH3+])C1 ZINC000923353597 644369564 /nfs/dbraw/zinc/36/95/64/644369564.db2.gz YQELHJRDVZNNFD-AOOOYVTPSA-N 2 0 242.367 -0.634 20 0 BBADRP C[C@@H]1C[C@@H](C)CN(C(=O)CNC(C[NH3+])C[NH3+])C1 ZINC000923353599 644368929 /nfs/dbraw/zinc/36/89/29/644368929.db2.gz YQELHJRDVZNNFD-NXEZZACHSA-N 2 0 242.367 -0.634 20 0 BBADRP C[C@H]1C[C@H](C)CN(C(=O)CNC(C[NH3+])C[NH3+])C1 ZINC000923353600 644369475 /nfs/dbraw/zinc/36/94/75/644369475.db2.gz YQELHJRDVZNNFD-UWVGGRQHSA-N 2 0 242.367 -0.634 20 0 BBADRP CN(CCNC(C[NH3+])C[NH3+])c1ccccc1 ZINC000923353861 644369638 /nfs/dbraw/zinc/36/96/38/644369638.db2.gz CZFYNEIXCFIYOK-UHFFFAOYSA-N 2 0 222.336 -0.002 20 0 BBADRP Cc1csc(CNC(C[NH3+])C[NH3+])n1 ZINC000923354001 644369287 /nfs/dbraw/zinc/36/92/87/644369287.db2.gz GSPMXGIDTHFOEN-UHFFFAOYSA-N 2 0 200.311 -0.173 20 0 BBADRP [NH3+]CC(C[NH3+])NCc1ncn(-c2ccccc2)n1 ZINC000923354042 644370207 /nfs/dbraw/zinc/37/02/07/644370207.db2.gz IAKWOIQODGDOFR-UHFFFAOYSA-N 2 0 246.318 -0.357 20 0 BBADRP [NH3+]CC(C[NH3+])NCc1ncnn1-c1ccccc1 ZINC000923354101 644368746 /nfs/dbraw/zinc/36/87/46/644368746.db2.gz IRKGKYPBFYUFSU-UHFFFAOYSA-N 2 0 246.318 -0.357 20 0 BBADRP CC[NH+](CC)CCCNC(C[NH3+])C[NH3+] ZINC000923354127 644369068 /nfs/dbraw/zinc/36/90/68/644369068.db2.gz KNEQEJQBTTYFJJ-UHFFFAOYSA-N 3 0 202.346 -0.406 20 0 BBADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923354201 644369341 /nfs/dbraw/zinc/36/93/41/644369341.db2.gz AYMHDADIUUHZCU-NEPJUHHUSA-N 2 0 238.335 -0.085 20 0 BBADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923354204 644369767 /nfs/dbraw/zinc/36/97/67/644369767.db2.gz AYMHDADIUUHZCU-NWDGAFQWSA-N 2 0 238.335 -0.085 20 0 BBADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923354207 644370381 /nfs/dbraw/zinc/37/03/81/644370381.db2.gz AYMHDADIUUHZCU-RYUDHWBXSA-N 2 0 238.335 -0.085 20 0 BBADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923354211 644368849 /nfs/dbraw/zinc/36/88/49/644368849.db2.gz AYMHDADIUUHZCU-VXGBXAGGSA-N 2 0 238.335 -0.085 20 0 BBADRP COc1cccc(OCCNC(C[NH3+])C[NH3+])c1 ZINC000923354373 644370072 /nfs/dbraw/zinc/37/00/72/644370072.db2.gz MIMMGMAIOOEDBJ-UHFFFAOYSA-N 2 0 239.319 -0.050 20 0 BBADRP COC(=O)c1cccc(CNC(C[NH3+])C[NH3+])c1 ZINC000923354454 644373773 /nfs/dbraw/zinc/37/37/73/644373773.db2.gz PIFVTOBCSIQDOB-UHFFFAOYSA-N 2 0 237.303 -0.151 20 0 BBADRP CCCCOC(=O)[C@@H](C)NC(C[NH3+])C[NH3+] ZINC000923354455 644372595 /nfs/dbraw/zinc/37/25/95/644372595.db2.gz PPBHGUCLBQPVTR-MRVPVSSYSA-N 2 0 217.313 -0.406 20 0 BBADRP CCCCOC(=O)[C@H](C)NC(C[NH3+])C[NH3+] ZINC000923354456 644371594 /nfs/dbraw/zinc/37/15/94/644371594.db2.gz PPBHGUCLBQPVTR-QMMMGPOBSA-N 2 0 217.313 -0.406 20 0 BBADRP COC(=O)c1ccc(CNC(C[NH3+])C[NH3+])s1 ZINC000923354483 644372468 /nfs/dbraw/zinc/37/24/68/644372468.db2.gz QBCPWTOBONJMLT-UHFFFAOYSA-N 2 0 243.332 -0.090 20 0 BBADRP COC(=O)c1ccc(CNC(C[NH3+])C[NH3+])cc1 ZINC000923354489 644372437 /nfs/dbraw/zinc/37/24/37/644372437.db2.gz QBORIEYHWUOCLE-UHFFFAOYSA-N 2 0 237.303 -0.151 20 0 BBADRP CCCCOC(=O)CNC(C[NH3+])C[NH3+] ZINC000923354493 644371747 /nfs/dbraw/zinc/37/17/47/644371747.db2.gz QGFDDMLTEAFVNV-UHFFFAOYSA-N 2 0 203.286 -0.795 20 0 BBADRP CCOc1ccc(CNC(C[NH3+])C[NH3+])nc1 ZINC000923354832 644373077 /nfs/dbraw/zinc/37/30/77/644373077.db2.gz WAUHEHUBWVQLRQ-UHFFFAOYSA-N 2 0 224.308 -0.144 20 0 BBADRP Cn1c(CNC(C[NH3+])C[NH3+])nc2ccccc21 ZINC000923354870 644373061 /nfs/dbraw/zinc/37/30/61/644373061.db2.gz XTIPSNDTBLABRK-UHFFFAOYSA-N 2 0 233.319 -0.051 20 0 BBADRP CCC[C@@H](NC(C[NH3+])C[NH3+])C(=O)OCC ZINC000923354889 644374153 /nfs/dbraw/zinc/37/41/53/644374153.db2.gz ZARWBJYTTKMMPS-SECBINFHSA-N 2 0 217.313 -0.406 20 0 BBADRP CCC[C@H](NC(C[NH3+])C[NH3+])C(=O)OCC ZINC000923354890 644373938 /nfs/dbraw/zinc/37/39/38/644373938.db2.gz ZARWBJYTTKMMPS-VIFPVBQESA-N 2 0 217.313 -0.406 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000923355386 644371235 /nfs/dbraw/zinc/37/12/35/644371235.db2.gz KYJOTLSKFDKJAK-CYDGBPFRSA-N 2 0 239.363 -0.088 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000923355387 644373335 /nfs/dbraw/zinc/37/33/35/644373335.db2.gz KYJOTLSKFDKJAK-ZDEQEGDKSA-N 2 0 239.363 -0.088 20 0 BBADRP CC(C)CC[C@H](O)CNC(C[NH3+])C[NH3+] ZINC000923355610 644371063 /nfs/dbraw/zinc/37/10/63/644371063.db2.gz BJKFNFPWHGXLPS-JTQLQIEISA-N 2 0 203.330 -0.341 20 0 BBADRP CC(C)CC[C@@H](O)CNC(C[NH3+])C[NH3+] ZINC000923355611 644373220 /nfs/dbraw/zinc/37/32/20/644373220.db2.gz BJKFNFPWHGXLPS-SNVBAGLBSA-N 2 0 203.330 -0.341 20 0 BBADRP CC1(C)CO[C@@H](CNC(C[NH3+])C[NH3+])C1 ZINC000923356304 644373469 /nfs/dbraw/zinc/37/34/69/644373469.db2.gz KHJODDJFDWNWBC-SECBINFHSA-N 2 0 201.314 -0.323 20 0 BBADRP CC1(C)CO[C@H](CNC(C[NH3+])C[NH3+])C1 ZINC000923356308 644371941 /nfs/dbraw/zinc/37/19/41/644371941.db2.gz KHJODDJFDWNWBC-VIFPVBQESA-N 2 0 201.314 -0.323 20 0 BBADRP COc1cc(CNC(C[NH3+])C[NH3+])sn1 ZINC000923356652 644375688 /nfs/dbraw/zinc/37/56/88/644375688.db2.gz OKNAKQAXBAENDS-UHFFFAOYSA-N 2 0 216.310 -0.473 20 0 BBADRP CCc1onc(C)c1CNC(C[NH3+])C[NH3+] ZINC000923356657 644376175 /nfs/dbraw/zinc/37/61/75/644376175.db2.gz ONYJZAOJWSGBKP-UHFFFAOYSA-N 2 0 212.297 -0.079 20 0 BBADRP [NH3+]CC(C[NH3+])NCc1nc2c(o1)CCCC2 ZINC000923357357 644364411 /nfs/dbraw/zinc/36/44/11/644364411.db2.gz YBCBYNOJSIBHQM-UHFFFAOYSA-N 2 0 224.308 -0.071 20 0 BBADRP [NH3+]CC(C[NH3+])NCCC[NH+]1CCCCC1 ZINC000923358428 644368321 /nfs/dbraw/zinc/36/83/21/644368321.db2.gz BKTQCRLZIVVNLC-UHFFFAOYSA-N 3 0 214.357 -0.262 20 0 BBADRP [NH3+]CC(C[NH3+])NCc1ccc2c(c1)C[NH2+]CC2 ZINC000923358430 644367056 /nfs/dbraw/zinc/36/70/56/644367056.db2.gz BPEMXGQGBSHSRW-UHFFFAOYSA-N 3 0 234.347 -0.292 20 0 BBADRP [NH3+]CC(C[NH3+])N[C@@H]1CCc2ccccc2NC1=O ZINC000923358587 644367733 /nfs/dbraw/zinc/36/77/33/644367733.db2.gz DNLNDMKGOUOTCS-GFCCVEGCSA-N 2 0 248.330 -0.185 20 0 BBADRP [NH3+]CC(C[NH3+])N[C@H]1CCc2ccccc2NC1=O ZINC000923358588 644367315 /nfs/dbraw/zinc/36/73/15/644367315.db2.gz DNLNDMKGOUOTCS-LBPRGKRZSA-N 2 0 248.330 -0.185 20 0 BBADRP [NH3+]CC(C[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000923358710 644367753 /nfs/dbraw/zinc/36/77/53/644367753.db2.gz FLZJSQYZCVQBSE-UHFFFAOYSA-N 3 0 234.347 -0.292 20 0 BBADRP [NH3+]CC(C[NH3+])NCc1cc(CO)ccc1F ZINC000923359062 644369798 /nfs/dbraw/zinc/36/97/98/644369798.db2.gz KRYFEMLHYNWINL-UHFFFAOYSA-N 2 0 227.283 -0.306 20 0 BBADRP COc1ccnc(CNC(C[NH3+])C[NH3+])c1OC ZINC000923359169 644372424 /nfs/dbraw/zinc/37/24/24/644372424.db2.gz NGCUZQUTEAQZKL-UHFFFAOYSA-N 2 0 240.307 -0.526 20 0 BBADRP COC(=O)c1cc(CNC(C[NH3+])C[NH3+])cs1 ZINC000923359516 644384634 /nfs/dbraw/zinc/38/46/34/644384634.db2.gz SQFMAXWETIBXFW-UHFFFAOYSA-N 2 0 243.332 -0.090 20 0 BBADRP Cn1nc(CNC(C[NH3+])C[NH3+])cc1Cl ZINC000923359851 644384112 /nfs/dbraw/zinc/38/41/12/644384112.db2.gz UXIIGVQDDAFRLX-UHFFFAOYSA-N 2 0 217.704 -0.551 20 0 BBADRP COC(=O)[C@H](NC(C[NH3+])C[NH3+])c1ccsc1 ZINC000923359876 644382762 /nfs/dbraw/zinc/38/27/62/644382762.db2.gz VIDCHHZRUGVZSW-SECBINFHSA-N 2 0 243.332 -0.162 20 0 BBADRP COC(=O)[C@@H](NC(C[NH3+])C[NH3+])c1ccsc1 ZINC000923359877 644384489 /nfs/dbraw/zinc/38/44/89/644384489.db2.gz VIDCHHZRUGVZSW-VIFPVBQESA-N 2 0 243.332 -0.162 20 0 BBADRP COc1ccc(CNC(C[NH3+])C[NH3+])cn1 ZINC000923359905 644383374 /nfs/dbraw/zinc/38/33/74/644383374.db2.gz WMYVWDZRXOTUBL-UHFFFAOYSA-N 2 0 210.281 -0.534 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000923360203 644385042 /nfs/dbraw/zinc/38/50/42/644385042.db2.gz YNQQVYFRBZESBT-SRVKXCTJSA-N 3 0 239.363 -0.088 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923360296 644383968 /nfs/dbraw/zinc/38/39/68/644383968.db2.gz ZKKWLRHEBFDBNW-DCAQKATOSA-N 2 0 214.309 -0.323 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923360297 644384679 /nfs/dbraw/zinc/38/46/79/644384679.db2.gz ZKKWLRHEBFDBNW-GARJFASQSA-N 2 0 214.309 -0.323 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923360298 644382787 /nfs/dbraw/zinc/38/27/87/644382787.db2.gz ZKKWLRHEBFDBNW-OUAUKWLOSA-N 2 0 214.309 -0.323 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923360299 644384448 /nfs/dbraw/zinc/38/44/48/644384448.db2.gz ZKKWLRHEBFDBNW-VWYCJHECSA-N 2 0 214.309 -0.323 20 0 BBADRP C[N@H+](C[C@H](O)Cn1cccn1)C1CC([NH3+])C1 ZINC000923360383 644384913 /nfs/dbraw/zinc/38/49/13/644384913.db2.gz BFIJJZILZJNLER-ILDUYXDCSA-N 2 0 224.308 -0.335 20 0 BBADRP C[N@H+](C[C@@H](O)Cn1cccn1)C1CC([NH3+])C1 ZINC000923360384 644384942 /nfs/dbraw/zinc/38/49/42/644384942.db2.gz BFIJJZILZJNLER-VQXHTEKXSA-N 2 0 224.308 -0.335 20 0 BBADRP C[NH2+]CCN(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923360408 644384593 /nfs/dbraw/zinc/38/45/93/644384593.db2.gz ACDCGYJFCVBPPN-JTQLQIEISA-N 2 0 213.325 -0.484 20 0 BBADRP C[NH2+]CCN(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923360411 644384762 /nfs/dbraw/zinc/38/47/62/644384762.db2.gz ACDCGYJFCVBPPN-SNVBAGLBSA-N 2 0 213.325 -0.484 20 0 BBADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCO)CC1 ZINC000923360514 644383083 /nfs/dbraw/zinc/38/30/83/644383083.db2.gz CATDXYMIOJCUAT-MNOVXSKESA-N 2 0 214.309 -0.193 20 0 BBADRP C([C@H]1CC2(C[NH2+]C2)CO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923361321 644386316 /nfs/dbraw/zinc/38/63/16/644386316.db2.gz OUPLQTCDMXKUIH-UTUOFQBUSA-N 2 0 237.347 -0.341 20 0 BBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923361322 644385697 /nfs/dbraw/zinc/38/56/97/644385697.db2.gz OUPLQTCDMXKUIH-WOPDTQHZSA-N 2 0 237.347 -0.341 20 0 BBADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000923363024 644389200 /nfs/dbraw/zinc/38/92/00/644389200.db2.gz PQVPFUHBUFGORU-ILDUYXDCSA-N 3 0 225.336 -0.214 20 0 BBADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000923363025 644389790 /nfs/dbraw/zinc/38/97/90/644389790.db2.gz PQVPFUHBUFGORU-VQXHTEKXSA-N 3 0 225.336 -0.214 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000923363266 644388529 /nfs/dbraw/zinc/38/85/29/644388529.db2.gz BIKPTOWRGDMEPN-SVNGYHJRSA-N 2 0 225.336 -0.337 20 0 BBADRP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923364133 644376276 /nfs/dbraw/zinc/37/62/76/644376276.db2.gz JJZHFFXSBWHXOW-QWRGUYRKSA-N 2 0 226.320 -0.178 20 0 BBADRP OC[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923364134 644376678 /nfs/dbraw/zinc/37/66/78/644376678.db2.gz JJZHFFXSBWHXOW-WDEREUQCSA-N 2 0 226.320 -0.178 20 0 BBADRP CC(C)COC[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923365867 644375548 /nfs/dbraw/zinc/37/55/48/644375548.db2.gz HPECIGZQFXFKLE-GHMZBOCLSA-N 2 0 234.340 -0.729 20 0 BBADRP CC(C)COC[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923365868 644376107 /nfs/dbraw/zinc/37/61/07/644376107.db2.gz HPECIGZQFXFKLE-MNOVXSKESA-N 2 0 234.340 -0.729 20 0 BBADRP CC(C)COC[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923365870 644374448 /nfs/dbraw/zinc/37/44/48/644374448.db2.gz HPECIGZQFXFKLE-QWRGUYRKSA-N 2 0 234.340 -0.729 20 0 BBADRP CC(C)COC[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923365871 644376187 /nfs/dbraw/zinc/37/61/87/644376187.db2.gz HPECIGZQFXFKLE-WDEREUQCSA-N 2 0 234.340 -0.729 20 0 BBADRP CN(CCC[NH2+]C1CC1)C[C@@H](O)C[NH3+] ZINC000923365912 644377180 /nfs/dbraw/zinc/37/71/80/644377180.db2.gz IKMLLLHLRNUBNG-JTQLQIEISA-N 2 0 201.314 -0.620 20 0 BBADRP CN(CCC[NH2+]C1CC1)C[C@H](O)C[NH3+] ZINC000923365913 644378756 /nfs/dbraw/zinc/37/87/56/644378756.db2.gz IKMLLLHLRNUBNG-SNVBAGLBSA-N 2 0 201.314 -0.620 20 0 BBADRP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923366354 644378093 /nfs/dbraw/zinc/37/80/93/644378093.db2.gz LJTGLQBZNSDGJS-GMTAPVOTSA-N 2 0 225.336 -0.356 20 0 BBADRP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923366355 644379336 /nfs/dbraw/zinc/37/93/36/644379336.db2.gz LJTGLQBZNSDGJS-MXWKQRLJSA-N 2 0 225.336 -0.356 20 0 BBADRP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923366356 644378602 /nfs/dbraw/zinc/37/86/02/644378602.db2.gz LJTGLQBZNSDGJS-OUAUKWLOSA-N 2 0 225.336 -0.356 20 0 BBADRP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923366357 644377608 /nfs/dbraw/zinc/37/76/08/644377608.db2.gz LJTGLQBZNSDGJS-VWYCJHECSA-N 2 0 225.336 -0.356 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000923366852 644379236 /nfs/dbraw/zinc/37/92/36/644379236.db2.gz PIRCOPUTXVLWLV-CYDGBPFRSA-N 2 0 239.363 -0.088 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000923366853 644378325 /nfs/dbraw/zinc/37/83/25/644378325.db2.gz PIRCOPUTXVLWLV-ZDEQEGDKSA-N 2 0 239.363 -0.088 20 0 BBADRP CC(C)OCC[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923367502 644379446 /nfs/dbraw/zinc/37/94/46/644379446.db2.gz WKWIXKABJLIVQJ-GHMZBOCLSA-N 2 0 234.340 -0.586 20 0 BBADRP CC(C)OCC[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923367503 644378002 /nfs/dbraw/zinc/37/80/02/644378002.db2.gz WKWIXKABJLIVQJ-MNOVXSKESA-N 2 0 234.340 -0.586 20 0 BBADRP CC(C)OCC[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923367504 644378050 /nfs/dbraw/zinc/37/80/50/644378050.db2.gz WKWIXKABJLIVQJ-QWRGUYRKSA-N 2 0 234.340 -0.586 20 0 BBADRP CC(C)OCC[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923367505 644379294 /nfs/dbraw/zinc/37/92/94/644379294.db2.gz WKWIXKABJLIVQJ-WDEREUQCSA-N 2 0 234.340 -0.586 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H](O)Cn1cccn1 ZINC000923367823 644378011 /nfs/dbraw/zinc/37/80/11/644378011.db2.gz JEPVCICIBADODG-AXFHLTTASA-N 2 0 224.308 -0.335 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H](O)Cn1cccn1 ZINC000923367824 644378035 /nfs/dbraw/zinc/37/80/35/644378035.db2.gz JEPVCICIBADODG-DCAQKATOSA-N 2 0 224.308 -0.335 20 0 BBADRP COCCOC[C@@H](O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000923367859 644378026 /nfs/dbraw/zinc/37/80/26/644378026.db2.gz JRQYQJVECFUAGE-DCAQKATOSA-N 2 0 232.324 -0.568 20 0 BBADRP CCOC[C@@H](O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000923367875 644377830 /nfs/dbraw/zinc/37/78/30/644377830.db2.gz KIPAFMZICVGVPB-GUBZILKMSA-N 2 0 202.298 -0.195 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923368085 644380203 /nfs/dbraw/zinc/38/02/03/644380203.db2.gz ZZNYMBGTLVDTMQ-CHWSQXEVSA-N 2 0 238.331 -0.159 20 0 BBADRP C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@@H](O)C[NH3+] ZINC000923368086 644380568 /nfs/dbraw/zinc/38/05/68/644380568.db2.gz ZZNYMBGTLVDTMQ-OLZOCXBDSA-N 2 0 238.331 -0.159 20 0 BBADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923368087 644382391 /nfs/dbraw/zinc/38/23/91/644382391.db2.gz ZZNYMBGTLVDTMQ-QWHCGFSZSA-N 2 0 238.331 -0.159 20 0 BBADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923368088 644380486 /nfs/dbraw/zinc/38/04/86/644380486.db2.gz ZZNYMBGTLVDTMQ-STQMWFEESA-N 2 0 238.331 -0.159 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923368152 644381238 /nfs/dbraw/zinc/38/12/38/644381238.db2.gz MMTDPOUFXRJWSQ-AXFHLTTASA-N 2 0 225.336 -0.214 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923368153 644380530 /nfs/dbraw/zinc/38/05/30/644380530.db2.gz MMTDPOUFXRJWSQ-DCAQKATOSA-N 2 0 225.336 -0.214 20 0 BBADRP C[N@H+](CCN1CCOCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369039 644380966 /nfs/dbraw/zinc/38/09/66/644380966.db2.gz GEMHZUQRHOVMFP-SRVKXCTJSA-N 2 0 243.351 -0.899 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1N[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369282 644380607 /nfs/dbraw/zinc/38/06/07/644380607.db2.gz JOHXPRTVWHXHJR-CNOCOONNSA-N 2 0 227.352 -0.187 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1N[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369283 644382163 /nfs/dbraw/zinc/38/21/63/644382163.db2.gz JOHXPRTVWHXHJR-HAVMIZHYSA-N 2 0 227.352 -0.187 20 0 BBADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1N[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369284 644382135 /nfs/dbraw/zinc/38/21/35/644382135.db2.gz JOHXPRTVWHXHJR-HRRXFJGFSA-N 2 0 227.352 -0.187 20 0 BBADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1N[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369285 644380872 /nfs/dbraw/zinc/38/08/72/644380872.db2.gz JOHXPRTVWHXHJR-VXXUGFECSA-N 2 0 227.352 -0.187 20 0 BBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000923369440 644382348 /nfs/dbraw/zinc/38/23/48/644382348.db2.gz ZJKKZFMXJAKGNL-TUAOUCFPSA-N 2 0 245.367 -0.653 20 0 BBADRP COC(=O)[C@H](C)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369645 644380551 /nfs/dbraw/zinc/38/05/51/644380551.db2.gz MOYPYCXTWWABSI-KATARQTJSA-N 2 0 230.308 -0.422 20 0 BBADRP COC(=O)[C@@H](C)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369646 644380059 /nfs/dbraw/zinc/38/00/59/644380059.db2.gz MOYPYCXTWWABSI-XKNYDFJKSA-N 2 0 230.308 -0.422 20 0 BBADRP CNC(=O)CCC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923371742 644382747 /nfs/dbraw/zinc/38/27/47/644382747.db2.gz SYLKXURFKTYHPY-GUBZILKMSA-N 2 0 229.324 -0.705 20 0 BBADRP COC(=O)[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923373911 644388584 /nfs/dbraw/zinc/38/85/84/644388584.db2.gz QHCDZPXSVMEMDD-NAKRPEOUSA-N 2 0 242.319 -0.278 20 0 BBADRP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923373912 644387804 /nfs/dbraw/zinc/38/78/04/644387804.db2.gz QHCDZPXSVMEMDD-RCWTZXSCSA-N 2 0 242.319 -0.278 20 0 BBADRP C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1[NH+](C)C ZINC000923374544 644389922 /nfs/dbraw/zinc/38/99/22/644389922.db2.gz ZFHMPOADGVROIX-DGORSVRFSA-N 2 0 227.352 -0.281 20 0 BBADRP C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1[NH+](C)C ZINC000923374546 644388413 /nfs/dbraw/zinc/38/84/13/644388413.db2.gz ZFHMPOADGVROIX-HTFCKZLJSA-N 2 0 227.352 -0.281 20 0 BBADRP C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1[NH+](C)C ZINC000923374548 644388768 /nfs/dbraw/zinc/38/87/68/644388768.db2.gz ZFHMPOADGVROIX-IIRVCBMXSA-N 2 0 227.352 -0.281 20 0 BBADRP C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1[NH+](C)C ZINC000923374552 644387723 /nfs/dbraw/zinc/38/77/23/644387723.db2.gz ZFHMPOADGVROIX-NGDQXYMTSA-N 2 0 227.352 -0.281 20 0 BBADRP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923375356 644390067 /nfs/dbraw/zinc/39/00/67/644390067.db2.gz KONOIMCYEIVIEJ-DGORSVRFSA-N 3 0 227.352 -0.246 20 0 BBADRP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923375357 644388775 /nfs/dbraw/zinc/38/87/75/644388775.db2.gz KONOIMCYEIVIEJ-GCHJQGSQSA-N 3 0 227.352 -0.246 20 0 BBADRP C[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923375358 644389385 /nfs/dbraw/zinc/38/93/85/644389385.db2.gz KONOIMCYEIVIEJ-HTFCKZLJSA-N 3 0 227.352 -0.246 20 0 BBADRP C[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923375359 644388401 /nfs/dbraw/zinc/38/84/01/644388401.db2.gz KONOIMCYEIVIEJ-OSUNSFLBSA-N 3 0 227.352 -0.246 20 0 BBADRP C[C@@H](Cn1cccn1)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923375598 644389777 /nfs/dbraw/zinc/38/97/77/644389777.db2.gz BPJASAUCOVTGPN-NAKRPEOUSA-N 2 0 224.308 -0.288 20 0 BBADRP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923375599 644389214 /nfs/dbraw/zinc/38/92/14/644389214.db2.gz BPJASAUCOVTGPN-RCWTZXSCSA-N 2 0 224.308 -0.288 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923376384 644392562 /nfs/dbraw/zinc/39/25/62/644392562.db2.gz XCAJHMOZGXTPEU-AXFHLTTASA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923376385 644391163 /nfs/dbraw/zinc/39/11/63/644391163.db2.gz XCAJHMOZGXTPEU-MXWKQRLJSA-N 2 0 216.325 -0.090 20 0 BBADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@H]1CCCO1 ZINC000923377075 644391027 /nfs/dbraw/zinc/39/10/27/644391027.db2.gz ITJNJLNRGMLZTI-AJBSGBCOSA-N 2 0 214.309 -0.006 20 0 BBADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@@H]1CCCO1 ZINC000923377077 644392213 /nfs/dbraw/zinc/39/22/13/644392213.db2.gz ITJNJLNRGMLZTI-NMUGVGKYSA-N 2 0 214.309 -0.006 20 0 BBADRP C[NH2+]CCCN(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923377078 644390495 /nfs/dbraw/zinc/39/04/95/644390495.db2.gz FPODKOPXYYUJOG-LLVKDONJSA-N 2 0 227.352 -0.094 20 0 BBADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@H]1CCCO1 ZINC000923377080 644392336 /nfs/dbraw/zinc/39/23/36/644392336.db2.gz ITJNJLNRGMLZTI-ORMBPQIASA-N 2 0 214.309 -0.006 20 0 BBADRP C[NH2+]CCCN(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923377081 644391385 /nfs/dbraw/zinc/39/13/85/644391385.db2.gz FPODKOPXYYUJOG-NSHDSACASA-N 2 0 227.352 -0.094 20 0 BBADRP OCC[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923377310 644392280 /nfs/dbraw/zinc/39/22/80/644392280.db2.gz IQOBHYDAEZSYML-MNOVXSKESA-N 2 0 226.320 -0.321 20 0 BBADRP CSC[C@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923377670 644391436 /nfs/dbraw/zinc/39/14/36/644391436.db2.gz ALDMUZBBLDLTPU-NXEZZACHSA-N 2 0 234.365 -0.240 20 0 BBADRP CSC[C@@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923377671 644392139 /nfs/dbraw/zinc/39/21/39/644392139.db2.gz ALDMUZBBLDLTPU-UWVGGRQHSA-N 2 0 234.365 -0.240 20 0 BBADRP CSC[C@@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923377673 644390984 /nfs/dbraw/zinc/39/09/84/644390984.db2.gz ALDMUZBBLDLTPU-VHSXEESVSA-N 2 0 234.365 -0.240 20 0 BBADRP CSC[C@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923377674 644390589 /nfs/dbraw/zinc/39/05/89/644390589.db2.gz ALDMUZBBLDLTPU-ZJUUUORDSA-N 2 0 234.365 -0.240 20 0 BBADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@@H]1CCCO1 ZINC000923378137 644391803 /nfs/dbraw/zinc/39/18/03/644391803.db2.gz ITJNJLNRGMLZTI-QHZLYTNSSA-N 2 0 214.309 -0.006 20 0 BBADRP C[NH2+]CCC[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000923378150 644392310 /nfs/dbraw/zinc/39/23/10/644392310.db2.gz RGPMFDVZZBFSKC-LLVKDONJSA-N 2 0 226.324 -0.215 20 0 BBADRP C[NH2+]CCC[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000923378151 644391366 /nfs/dbraw/zinc/39/13/66/644391366.db2.gz RGPMFDVZZBFSKC-NSHDSACASA-N 2 0 226.324 -0.215 20 0 BBADRP C[NH2+]CCCN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923378228 644391213 /nfs/dbraw/zinc/39/12/13/644391213.db2.gz SLLFRHAYGIKYOG-GUBZILKMSA-N 2 0 201.314 -0.622 20 0 BBADRP CCOCC[C@@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923378955 644391549 /nfs/dbraw/zinc/39/15/49/644391549.db2.gz LVEOOIATIMJOBO-NEPJUHHUSA-N 2 0 246.351 -0.177 20 0 BBADRP CCOCC[C@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923378956 644391046 /nfs/dbraw/zinc/39/10/46/644391046.db2.gz LVEOOIATIMJOBO-NWDGAFQWSA-N 2 0 246.351 -0.177 20 0 BBADRP CCOCC[C@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923378957 644391759 /nfs/dbraw/zinc/39/17/59/644391759.db2.gz LVEOOIATIMJOBO-RYUDHWBXSA-N 2 0 246.351 -0.177 20 0 BBADRP CCOCC[C@@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923378958 644391121 /nfs/dbraw/zinc/39/11/21/644391121.db2.gz LVEOOIATIMJOBO-VXGBXAGGSA-N 2 0 246.351 -0.177 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000923380132 644394943 /nfs/dbraw/zinc/39/49/43/644394943.db2.gz MSGKVWLLZMQFQS-BJDJZHNGSA-N 2 0 225.336 -0.335 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000923380136 644394319 /nfs/dbraw/zinc/39/43/19/644394319.db2.gz MSGKVWLLZMQFQS-FIQHERPVSA-N 2 0 225.336 -0.335 20 0 BBADRP [NH3+]CC1(O)CCN(CCC[NH2+]C2CC2)CC1 ZINC000923380298 644393165 /nfs/dbraw/zinc/39/31/65/644393165.db2.gz GFLVHVLRNLDJKI-UHFFFAOYSA-N 2 0 227.352 -0.086 20 0 BBADRP C(C[NH2+]C1CC1)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923381295 644393444 /nfs/dbraw/zinc/39/34/44/644393444.db2.gz UJFALOMVJJUKGE-NWDGAFQWSA-N 2 0 225.336 -0.199 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000923381648 644393932 /nfs/dbraw/zinc/39/39/32/644393932.db2.gz KHWFLASKHQAWDT-GEVSDDDWSA-N 2 0 213.325 -0.304 20 0 BBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381901 644393666 /nfs/dbraw/zinc/39/36/66/644393666.db2.gz LTWVZUDNLMWTKM-IJLUTSLNSA-N 2 0 246.351 -0.130 20 0 BBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381902 644394003 /nfs/dbraw/zinc/39/40/03/644394003.db2.gz LTWVZUDNLMWTKM-QJPTWQEYSA-N 2 0 246.351 -0.130 20 0 BBADRP CCOCCOCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923383357 644396851 /nfs/dbraw/zinc/39/68/51/644396851.db2.gz ZPKPGORLRNELPQ-UHFFFAOYSA-N 2 0 246.351 -0.175 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923383948 644395884 /nfs/dbraw/zinc/39/58/84/644395884.db2.gz PKNDYOXDIXPKOY-IVZWLZJFSA-N 2 0 202.298 -0.147 20 0 BBADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923383949 644396587 /nfs/dbraw/zinc/39/65/87/644396587.db2.gz PKNDYOXDIXPKOY-OPRDCNLKSA-N 2 0 202.298 -0.147 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000923384401 644395911 /nfs/dbraw/zinc/39/59/11/644395911.db2.gz WPZUDXQPFFVCAM-DGORSVRFSA-N 2 0 226.320 -0.052 20 0 BBADRP CC(=O)NCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923384684 644397245 /nfs/dbraw/zinc/39/72/45/644397245.db2.gz KVSSKFHKISBPRO-LLVKDONJSA-N 2 0 241.335 -0.567 20 0 BBADRP CC(=O)NCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923384685 644396102 /nfs/dbraw/zinc/39/61/02/644396102.db2.gz KVSSKFHKISBPRO-NSHDSACASA-N 2 0 241.335 -0.567 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(CCO)CC2)C1 ZINC000923385383 644399575 /nfs/dbraw/zinc/39/95/75/644399575.db2.gz AMWUKQZLYZEXAJ-SRVKXCTJSA-N 2 0 228.336 -0.069 20 0 BBADRP O[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923385406 644400280 /nfs/dbraw/zinc/40/02/80/644400280.db2.gz ATLUQSQXTGSQEW-GHMZBOCLSA-N 2 0 226.320 -0.178 20 0 BBADRP O[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923385407 644398901 /nfs/dbraw/zinc/39/89/01/644398901.db2.gz ATLUQSQXTGSQEW-MNOVXSKESA-N 2 0 226.320 -0.178 20 0 BBADRP O[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923385409 644398192 /nfs/dbraw/zinc/39/81/92/644398192.db2.gz ATLUQSQXTGSQEW-QWRGUYRKSA-N 2 0 226.320 -0.178 20 0 BBADRP O[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923385411 644399404 /nfs/dbraw/zinc/39/94/04/644399404.db2.gz ATLUQSQXTGSQEW-WDEREUQCSA-N 2 0 226.320 -0.178 20 0 BBADRP CCO[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923385518 644400524 /nfs/dbraw/zinc/40/05/24/644400524.db2.gz CMUBKNDGBVWQSO-WTPMCQDGSA-N 2 0 243.351 -0.867 20 0 BBADRP CN(CC(C)(C)[NH3+])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923386223 644398295 /nfs/dbraw/zinc/39/82/95/644398295.db2.gz LPJKTBUCMCYJIN-CIUDSAMLSA-N 2 0 201.314 -0.494 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000923387384 644399558 /nfs/dbraw/zinc/39/95/58/644399558.db2.gz MVNUMOKANSKHEU-NXEZZACHSA-N 2 0 202.298 -0.587 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](O)C1 ZINC000923387385 644398463 /nfs/dbraw/zinc/39/84/63/644398463.db2.gz MVNUMOKANSKHEU-UWVGGRQHSA-N 2 0 202.298 -0.587 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](O)C1 ZINC000923387386 644399359 /nfs/dbraw/zinc/39/93/59/644399359.db2.gz MVNUMOKANSKHEU-VHSXEESVSA-N 2 0 202.298 -0.587 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000923387387 644400024 /nfs/dbraw/zinc/40/00/24/644400024.db2.gz MVNUMOKANSKHEU-ZJUUUORDSA-N 2 0 202.298 -0.587 20 0 BBADRP [NH3+]CCC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923387922 644399742 /nfs/dbraw/zinc/39/97/42/644399742.db2.gz OXTCWGRTNLCKHR-SRVKXCTJSA-N 3 0 227.352 -0.102 20 0 BBADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923388552 644401059 /nfs/dbraw/zinc/40/10/59/644401059.db2.gz PIUFLYLQDFTWHL-VLJOUNFMSA-N 3 0 239.363 -0.102 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](O)C2)C1 ZINC000923389318 644401829 /nfs/dbraw/zinc/40/18/29/644401829.db2.gz VYJQUWAZCGVYTA-JXUBOQSCSA-N 2 0 200.282 -0.706 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](O)C2)C1 ZINC000923389333 644401726 /nfs/dbraw/zinc/40/17/26/644401726.db2.gz VYJQUWAZCGVYTA-XKNYDFJKSA-N 2 0 200.282 -0.706 20 0 BBADRP CN(C[C@@H]1CCC[N@@H+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923389697 644401697 /nfs/dbraw/zinc/40/16/97/644401697.db2.gz VWRLRCHHKCYRIF-BJDJZHNGSA-N 2 0 227.352 -0.137 20 0 BBADRP CN(C[C@H]1CCC[N@@H+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923389699 644401417 /nfs/dbraw/zinc/40/14/17/644401417.db2.gz VWRLRCHHKCYRIF-USZNOCQGSA-N 2 0 227.352 -0.137 20 0 BBADRP C[C@]12COC[C@H]1C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391563 644397054 /nfs/dbraw/zinc/39/70/54/644397054.db2.gz YNMZHZDTHNVSSF-DGORSVRFSA-N 2 0 226.320 -0.195 20 0 BBADRP C[C@]12COC[C@@H]1C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391565 644396183 /nfs/dbraw/zinc/39/61/83/644396183.db2.gz YNMZHZDTHNVSSF-HTFCKZLJSA-N 2 0 226.320 -0.195 20 0 BBADRP C[C@@]12COC[C@@H]1C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391568 644396224 /nfs/dbraw/zinc/39/62/24/644396224.db2.gz YNMZHZDTHNVSSF-UHFZAUJKSA-N 2 0 226.320 -0.195 20 0 BBADRP C[C@@]12COC[C@H]1C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391570 644396941 /nfs/dbraw/zinc/39/69/41/644396941.db2.gz YNMZHZDTHNVSSF-WTPMCQDGSA-N 2 0 226.320 -0.195 20 0 BBADRP C[N@H+](C[C@H]1COCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923391745 644397766 /nfs/dbraw/zinc/39/77/66/644397766.db2.gz PNZJNJVWXDCMAB-NAKRPEOUSA-N 2 0 230.308 -0.816 20 0 BBADRP C[N@H+](C[C@@H]1COCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923391747 644400381 /nfs/dbraw/zinc/40/03/81/644400381.db2.gz PNZJNJVWXDCMAB-VLEAKVRGSA-N 2 0 230.308 -0.816 20 0 BBADRP [NH3+]CC12CC(C1)CN2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923391774 644398687 /nfs/dbraw/zinc/39/86/87/644398687.db2.gz QBDNVBLIUWVYIX-AKJDGMEZSA-N 2 0 237.347 -0.212 20 0 BBADRP [NH3+]CC12CC(C1)CN2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923391776 644399879 /nfs/dbraw/zinc/39/98/79/644399879.db2.gz QBDNVBLIUWVYIX-QWKFWESOSA-N 2 0 237.347 -0.212 20 0 BBADRP [NH3+][C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1F ZINC000923395084 644401199 /nfs/dbraw/zinc/40/11/99/644401199.db2.gz HMODLNBSBAXDFE-GMTAPVOTSA-N 2 0 243.326 -0.264 20 0 BBADRP [NH3+][C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1F ZINC000923395085 644402570 /nfs/dbraw/zinc/40/25/70/644402570.db2.gz HMODLNBSBAXDFE-HBNTYKKESA-N 2 0 243.326 -0.264 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000923395462 644401075 /nfs/dbraw/zinc/40/10/75/644401075.db2.gz MYYAWDWODQAEPF-DGORSVRFSA-N 2 0 226.320 -0.195 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3COC[C@H]3C2)C1 ZINC000923395463 644402490 /nfs/dbraw/zinc/40/24/90/644402490.db2.gz MYYAWDWODQAEPF-GCHJQGSQSA-N 2 0 226.320 -0.195 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC000923395464 644402391 /nfs/dbraw/zinc/40/23/91/644402391.db2.gz MYYAWDWODQAEPF-HTFCKZLJSA-N 2 0 226.320 -0.195 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]3COC[C@H]3C2)C1 ZINC000923395465 644401321 /nfs/dbraw/zinc/40/13/21/644401321.db2.gz MYYAWDWODQAEPF-OSUNSFLBSA-N 2 0 226.320 -0.195 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000923396438 644402415 /nfs/dbraw/zinc/40/24/15/644402415.db2.gz YTMXLFSCCFNNRZ-MBXMOIHESA-N 2 0 217.288 -0.792 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000923397830 644405239 /nfs/dbraw/zinc/40/52/39/644405239.db2.gz FQIUHUOGCRRDRF-NAKRPEOUSA-N 2 0 225.336 -0.289 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000923397832 644404009 /nfs/dbraw/zinc/40/40/09/644404009.db2.gz FQIUHUOGCRRDRF-XWLWVQCSSA-N 2 0 225.336 -0.289 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000923398064 644405114 /nfs/dbraw/zinc/40/51/14/644405114.db2.gz JSZVROBRBQJCKF-DGORSVRFSA-N 2 0 225.336 -0.350 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000923398265 644404043 /nfs/dbraw/zinc/40/40/43/644404043.db2.gz JSZVROBRBQJCKF-HTFCKZLJSA-N 2 0 225.336 -0.350 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000923398266 644404440 /nfs/dbraw/zinc/40/44/40/644404440.db2.gz JSZVROBRBQJCKF-UHFZAUJKSA-N 2 0 225.336 -0.350 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000923398267 644405261 /nfs/dbraw/zinc/40/52/61/644405261.db2.gz JSZVROBRBQJCKF-WTPMCQDGSA-N 2 0 225.336 -0.350 20 0 BBADRP COC[C@H](O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399770 644407968 /nfs/dbraw/zinc/40/79/68/644407968.db2.gz UFHQLILDLHXNAQ-AXFHLTTASA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@@H](O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399771 644406641 /nfs/dbraw/zinc/40/66/41/644406641.db2.gz UFHQLILDLHXNAQ-DCAQKATOSA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@@H](O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399772 644406055 /nfs/dbraw/zinc/40/60/55/644406055.db2.gz UFHQLILDLHXNAQ-GARJFASQSA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@H](O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399773 644407661 /nfs/dbraw/zinc/40/76/61/644407661.db2.gz UFHQLILDLHXNAQ-GMTAPVOTSA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@H](O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399774 644407302 /nfs/dbraw/zinc/40/73/02/644407302.db2.gz UFHQLILDLHXNAQ-HBNTYKKESA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@H](O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399775 644406539 /nfs/dbraw/zinc/40/65/39/644406539.db2.gz UFHQLILDLHXNAQ-MXWKQRLJSA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@@H](O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399776 644407115 /nfs/dbraw/zinc/40/71/15/644407115.db2.gz UFHQLILDLHXNAQ-OUAUKWLOSA-N 2 0 214.309 -0.193 20 0 BBADRP COC[C@@H](O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399777 644407710 /nfs/dbraw/zinc/40/77/10/644407710.db2.gz UFHQLILDLHXNAQ-VWYCJHECSA-N 2 0 214.309 -0.193 20 0 BBADRP CCN(CC[NH3+])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923400440 644406031 /nfs/dbraw/zinc/40/60/31/644406031.db2.gz ATLRHRZZDWRNHU-JTQLQIEISA-N 2 0 213.325 -0.355 20 0 BBADRP CCN(CC[NH3+])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923400442 644408013 /nfs/dbraw/zinc/40/80/13/644408013.db2.gz ATLRHRZZDWRNHU-SNVBAGLBSA-N 2 0 213.325 -0.355 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923401923 644407382 /nfs/dbraw/zinc/40/73/82/644407382.db2.gz AMACIPAJDHQSPF-LLVKDONJSA-N 3 0 243.351 -0.728 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923401924 644407574 /nfs/dbraw/zinc/40/75/74/644407574.db2.gz AMACIPAJDHQSPF-NSHDSACASA-N 3 0 243.351 -0.728 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923401964 644407019 /nfs/dbraw/zinc/40/70/19/644407019.db2.gz BULADFGMMWEPQX-DCAQKATOSA-N 3 0 231.340 -0.995 20 0 BBADRP CSC[C@H](O)C[N@H+](C)CCOCC[NH3+] ZINC000923402345 644406621 /nfs/dbraw/zinc/40/66/21/644406621.db2.gz FFJZOQWPNMLUAD-SECBINFHSA-N 2 0 222.354 -0.383 20 0 BBADRP CSC[C@@H](O)C[N@H+](C)CCOCC[NH3+] ZINC000923402348 644407232 /nfs/dbraw/zinc/40/72/32/644407232.db2.gz FFJZOQWPNMLUAD-VIFPVBQESA-N 2 0 222.354 -0.383 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)C[C@H](O)CSC ZINC000923403442 644407803 /nfs/dbraw/zinc/40/78/03/644407803.db2.gz QDUDUUJKXONNKK-JTQLQIEISA-N 2 0 236.381 -0.122 20 0 BBADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)CSC ZINC000923403448 644407845 /nfs/dbraw/zinc/40/78/45/644407845.db2.gz QDUDUUJKXONNKK-SNVBAGLBSA-N 2 0 236.381 -0.122 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@@H](O)Cn1cccn1 ZINC000923403907 644407132 /nfs/dbraw/zinc/40/71/32/644407132.db2.gz VORMKVRPWBAKHA-LLVKDONJSA-N 2 0 242.323 -0.849 20 0 BBADRP C[N@H+](CCOCC[NH3+])C[C@H](O)Cn1cccn1 ZINC000923403908 644407606 /nfs/dbraw/zinc/40/76/06/644407606.db2.gz VORMKVRPWBAKHA-NSHDSACASA-N 2 0 242.323 -0.849 20 0 BBADRP OCC[NH2+][C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000923404623 644409975 /nfs/dbraw/zinc/40/99/75/644409975.db2.gz ZGTSHEBWUURZPT-NEPJUHHUSA-N 2 0 227.352 -0.358 20 0 BBADRP OCC[NH2+][C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000923404624 644409609 /nfs/dbraw/zinc/40/96/09/644409609.db2.gz ZGTSHEBWUURZPT-NWDGAFQWSA-N 2 0 227.352 -0.358 20 0 BBADRP OCC[NH2+][C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000923404625 644409178 /nfs/dbraw/zinc/40/91/78/644409178.db2.gz ZGTSHEBWUURZPT-RYUDHWBXSA-N 2 0 227.352 -0.358 20 0 BBADRP OCC[NH2+][C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000923404626 644408795 /nfs/dbraw/zinc/40/87/95/644408795.db2.gz ZGTSHEBWUURZPT-VXGBXAGGSA-N 2 0 227.352 -0.358 20 0 BBADRP C[NH2+]CCCN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923405688 644409899 /nfs/dbraw/zinc/40/98/99/644409899.db2.gz GYFWIBGDJJTGGG-LLVKDONJSA-N 2 0 215.341 -0.358 20 0 BBADRP C[NH2+]CCCN1CCC[C@H]([NH2+]CCO)C1 ZINC000923405689 644409018 /nfs/dbraw/zinc/40/90/18/644409018.db2.gz GYFWIBGDJJTGGG-NSHDSACASA-N 2 0 215.341 -0.358 20 0 BBADRP [NH3+]CCOCCN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923407161 644408984 /nfs/dbraw/zinc/40/89/84/644408984.db2.gz UWCPXNDNENFUDX-LLVKDONJSA-N 2 0 231.340 -0.992 20 0 BBADRP [NH3+]CCOCCN1CCC[C@H]([NH2+]CCO)C1 ZINC000923407162 644408624 /nfs/dbraw/zinc/40/86/24/644408624.db2.gz UWCPXNDNENFUDX-NSHDSACASA-N 2 0 231.340 -0.992 20 0 BBADRP [NH3+]CCCN1CCC[C@H]([NH2+]CCO)C1 ZINC000923407352 644409358 /nfs/dbraw/zinc/40/93/58/644409358.db2.gz XJZMLZCSYFBEJL-JTQLQIEISA-N 2 0 201.314 -0.619 20 0 BBADRP [NH3+]CCCN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923407353 644408726 /nfs/dbraw/zinc/40/87/26/644408726.db2.gz XJZMLZCSYFBEJL-SNVBAGLBSA-N 2 0 201.314 -0.619 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923408332 644412179 /nfs/dbraw/zinc/41/21/79/644412179.db2.gz GZWBFGWMJCDEBH-NEPJUHHUSA-N 2 0 245.367 -0.997 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000923408428 644411051 /nfs/dbraw/zinc/41/10/51/644411051.db2.gz GZWBFGWMJCDEBH-NWDGAFQWSA-N 2 0 245.367 -0.997 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000923408433 644412056 /nfs/dbraw/zinc/41/20/56/644412056.db2.gz GZWBFGWMJCDEBH-RYUDHWBXSA-N 2 0 245.367 -0.997 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923408434 644411650 /nfs/dbraw/zinc/41/16/50/644411650.db2.gz GZWBFGWMJCDEBH-VXGBXAGGSA-N 2 0 245.367 -0.997 20 0 BBADRP OCC[NH2+][C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000923408495 644411592 /nfs/dbraw/zinc/41/15/92/644411592.db2.gz ILWKFVNEMATWDL-SRVKXCTJSA-N 2 0 245.342 -0.267 20 0 BBADRP OCC[NH2+][C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000923408496 644412285 /nfs/dbraw/zinc/41/22/85/644412285.db2.gz ILWKFVNEMATWDL-TUAOUCFPSA-N 2 0 245.342 -0.267 20 0 BBADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923409266 644411373 /nfs/dbraw/zinc/41/13/73/644411373.db2.gz LNTGWHCYMNYGAE-PJSNJIKXSA-N 3 0 239.363 -0.232 20 0 BBADRP OCC[NH2+][C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000923409372 644411105 /nfs/dbraw/zinc/41/11/05/644411105.db2.gz QUHLPSRFJAEBHI-NEPJUHHUSA-N 2 0 227.352 -0.215 20 0 BBADRP OCC[NH2+][C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000923409375 644411074 /nfs/dbraw/zinc/41/10/74/644411074.db2.gz QUHLPSRFJAEBHI-VXGBXAGGSA-N 2 0 227.352 -0.215 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([NH2+]CCO)C1 ZINC000923409381 644410386 /nfs/dbraw/zinc/41/03/86/644410386.db2.gz QWOLLIDSDLSIAJ-AGIUHOORSA-N 2 0 241.379 -0.112 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923409383 644412775 /nfs/dbraw/zinc/41/27/75/644412775.db2.gz QWOLLIDSDLSIAJ-FRRDWIJNSA-N 2 0 241.379 -0.112 20 0 BBADRP OCC[NH2+][C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000923409479 644411319 /nfs/dbraw/zinc/41/13/19/644411319.db2.gz RKNAUSQKHCUOKU-NEPJUHHUSA-N 2 0 243.351 -0.979 20 0 BBADRP OCC[NH2+][C@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000923409486 644411634 /nfs/dbraw/zinc/41/16/34/644411634.db2.gz RKNAUSQKHCUOKU-NWDGAFQWSA-N 2 0 243.351 -0.979 20 0 BBADRP OCC[NH2+][C@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000923409488 644412674 /nfs/dbraw/zinc/41/26/74/644412674.db2.gz RKNAUSQKHCUOKU-RYUDHWBXSA-N 2 0 243.351 -0.979 20 0 BBADRP OCC[NH2+][C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000923409491 644412526 /nfs/dbraw/zinc/41/25/26/644412526.db2.gz RKNAUSQKHCUOKU-VXGBXAGGSA-N 2 0 243.351 -0.979 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923409562 644412129 /nfs/dbraw/zinc/41/21/29/644412129.db2.gz BISAXFLQQHBLMA-AEJSXWLSSA-N 2 0 202.298 -0.480 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923409563 644410316 /nfs/dbraw/zinc/41/03/16/644410316.db2.gz BISAXFLQQHBLMA-GUBZILKMSA-N 2 0 202.298 -0.480 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923409564 644410875 /nfs/dbraw/zinc/41/08/75/644410875.db2.gz BISAXFLQQHBLMA-UTLUCORTSA-N 2 0 202.298 -0.480 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000923409644 644412447 /nfs/dbraw/zinc/41/24/47/644412447.db2.gz CSSAFZWLBNCIHN-GRYCIOLGSA-N 2 0 239.363 -0.109 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923409645 644411160 /nfs/dbraw/zinc/41/11/60/644411160.db2.gz CSSAFZWLBNCIHN-IJLUTSLNSA-N 2 0 239.363 -0.109 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923409647 644411738 /nfs/dbraw/zinc/41/17/38/644411738.db2.gz CSSAFZWLBNCIHN-UTUOFQBUSA-N 2 0 239.363 -0.109 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000923409649 644412616 /nfs/dbraw/zinc/41/26/16/644412616.db2.gz CSSAFZWLBNCIHN-WOPDTQHZSA-N 2 0 239.363 -0.109 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923411143 644412543 /nfs/dbraw/zinc/41/25/43/644412543.db2.gz LQXKTRSJFXNRRN-NMUGVGKYSA-N 3 0 213.325 -0.636 20 0 BBADRP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C[NH3+] ZINC000923411145 644411310 /nfs/dbraw/zinc/41/13/10/644411310.db2.gz LQXKTRSJFXNRRN-QHZLYTNSSA-N 3 0 213.325 -0.636 20 0 BBADRP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923411147 644411796 /nfs/dbraw/zinc/41/17/96/644411796.db2.gz LQXKTRSJFXNRRN-SSRBZLIGSA-N 3 0 213.325 -0.636 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C[NH3+] ZINC000923411149 644412523 /nfs/dbraw/zinc/41/25/23/644412523.db2.gz LQXKTRSJFXNRRN-UVOCVTCTSA-N 3 0 213.325 -0.636 20 0 BBADRP C[C@@H]([NH3+])CN(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923412528 644415299 /nfs/dbraw/zinc/41/52/99/644415299.db2.gz ZIGGOYWPZXXXFT-NXEZZACHSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@H]([NH3+])CN(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923412530 644413985 /nfs/dbraw/zinc/41/39/85/644413985.db2.gz ZIGGOYWPZXXXFT-UWVGGRQHSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@H]([NH3+])CN(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923412532 644414497 /nfs/dbraw/zinc/41/44/97/644414497.db2.gz ZIGGOYWPZXXXFT-VHSXEESVSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H]([NH3+])CN(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923412533 644413362 /nfs/dbraw/zinc/41/33/62/644413362.db2.gz ZIGGOYWPZXXXFT-ZJUUUORDSA-N 2 0 213.325 -0.356 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1C[NH3+] ZINC000923412845 644413092 /nfs/dbraw/zinc/41/30/92/644413092.db2.gz YNGLSKXWMULIDW-GRYCIOLGSA-N 2 0 238.335 -0.229 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C[NH3+] ZINC000923412846 644413778 /nfs/dbraw/zinc/41/37/78/644413778.db2.gz YNGLSKXWMULIDW-IJLUTSLNSA-N 2 0 238.335 -0.229 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C[NH3+] ZINC000923412847 644415286 /nfs/dbraw/zinc/41/52/86/644415286.db2.gz YNGLSKXWMULIDW-UTUOFQBUSA-N 2 0 238.335 -0.229 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1C[NH3+] ZINC000923412848 644413686 /nfs/dbraw/zinc/41/36/86/644413686.db2.gz YNGLSKXWMULIDW-WOPDTQHZSA-N 2 0 238.335 -0.229 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923412901 644414270 /nfs/dbraw/zinc/41/42/70/644414270.db2.gz ZXHCXTQBBVOPON-HHKYUTTNSA-N 2 0 211.309 -0.727 20 0 BBADRP CC1(C)C[C@H](O)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413742 644417015 /nfs/dbraw/zinc/41/70/15/644417015.db2.gz HRTWPQWXGIJAEG-NAKRPEOUSA-N 2 0 228.336 -0.070 20 0 BBADRP CC1(C)C[C@@H](O)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413743 644415930 /nfs/dbraw/zinc/41/59/30/644415930.db2.gz HRTWPQWXGIJAEG-VLEAKVRGSA-N 2 0 228.336 -0.070 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923413945 644416675 /nfs/dbraw/zinc/41/66/75/644416675.db2.gz RZZHJZSHIUXSCU-GMTAPVOTSA-N 2 0 225.336 -0.214 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923413946 644416323 /nfs/dbraw/zinc/41/63/23/644416323.db2.gz RZZHJZSHIUXSCU-MXWKQRLJSA-N 2 0 225.336 -0.214 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923413947 644416741 /nfs/dbraw/zinc/41/67/41/644416741.db2.gz RZZHJZSHIUXSCU-OUAUKWLOSA-N 2 0 225.336 -0.214 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923413948 644416407 /nfs/dbraw/zinc/41/64/07/644416407.db2.gz RZZHJZSHIUXSCU-VWYCJHECSA-N 2 0 225.336 -0.214 20 0 BBADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000923419354 644422772 /nfs/dbraw/zinc/42/27/72/644422772.db2.gz AVNYQLCHIPBNCS-GRYCIOLGSA-N 2 0 238.331 -0.057 20 0 BBADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000923419356 644421156 /nfs/dbraw/zinc/42/11/56/644421156.db2.gz AVNYQLCHIPBNCS-TUAOUCFPSA-N 2 0 238.331 -0.057 20 0 BBADRP COCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419746 644425616 /nfs/dbraw/zinc/42/56/16/644425616.db2.gz CCJOYRPEFWBYEA-GMTAPVOTSA-N 2 0 246.351 -0.274 20 0 BBADRP COCCOC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419747 644424127 /nfs/dbraw/zinc/42/41/27/644424127.db2.gz CCJOYRPEFWBYEA-MXWKQRLJSA-N 2 0 246.351 -0.274 20 0 BBADRP COCCOC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419748 644424698 /nfs/dbraw/zinc/42/46/98/644424698.db2.gz CCJOYRPEFWBYEA-OUAUKWLOSA-N 2 0 246.351 -0.274 20 0 BBADRP COCCOC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419749 644423930 /nfs/dbraw/zinc/42/39/30/644423930.db2.gz CCJOYRPEFWBYEA-VWYCJHECSA-N 2 0 246.351 -0.274 20 0 BBADRP C[NH+](C)[C@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923420117 644424152 /nfs/dbraw/zinc/42/41/52/644424152.db2.gz GHWBODXTMMSZNJ-NAKRPEOUSA-N 2 0 213.325 -0.527 20 0 BBADRP C[NH+](C)[C@@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923420118 644424694 /nfs/dbraw/zinc/42/46/94/644424694.db2.gz GHWBODXTMMSZNJ-VLEAKVRGSA-N 2 0 213.325 -0.527 20 0 BBADRP CC1(C)[C@H](N[C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1[NH3+] ZINC000923421221 644424492 /nfs/dbraw/zinc/42/44/92/644424492.db2.gz MGAKPLUFUHBTBL-BQHMLIOBSA-N 2 0 213.325 -0.448 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1N[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923421223 644424787 /nfs/dbraw/zinc/42/47/87/644424787.db2.gz MGAKPLUFUHBTBL-RXKWGBCNSA-N 2 0 213.325 -0.448 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1N[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923421225 644423770 /nfs/dbraw/zinc/42/37/70/644423770.db2.gz MGAKPLUFUHBTBL-WLRJLXCNSA-N 2 0 213.325 -0.448 20 0 BBADRP CC1(C)[C@@H]([NH3+])C[C@@H]1N[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923421227 644425555 /nfs/dbraw/zinc/42/55/55/644425555.db2.gz MGAKPLUFUHBTBL-WYCDGMCDSA-N 2 0 213.325 -0.448 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000923421258 644423815 /nfs/dbraw/zinc/42/38/15/644423815.db2.gz MOXICJKRRNUTFU-AXFHLTTASA-N 2 0 238.335 -0.041 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000923421261 644425054 /nfs/dbraw/zinc/42/50/54/644425054.db2.gz MOXICJKRRNUTFU-GMTAPVOTSA-N 2 0 238.335 -0.041 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000923421264 644424547 /nfs/dbraw/zinc/42/45/47/644424547.db2.gz MOXICJKRRNUTFU-HBNTYKKESA-N 2 0 238.335 -0.041 20 0 BBADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000923421266 644424907 /nfs/dbraw/zinc/42/49/07/644424907.db2.gz MOXICJKRRNUTFU-MXWKQRLJSA-N 2 0 238.335 -0.041 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923421651 644425070 /nfs/dbraw/zinc/42/50/70/644425070.db2.gz NXINSIYJQVMMPS-CIUDSAMLSA-N 2 0 202.298 -0.291 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923421696 644417093 /nfs/dbraw/zinc/41/70/93/644417093.db2.gz NXINSIYJQVMMPS-DJLDLDEBSA-N 2 0 202.298 -0.291 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923421700 644416389 /nfs/dbraw/zinc/41/63/89/644416389.db2.gz NXINSIYJQVMMPS-XHNCKOQMSA-N 2 0 202.298 -0.291 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923421702 644417112 /nfs/dbraw/zinc/41/71/12/644417112.db2.gz NXINSIYJQVMMPS-YIZRAAEISA-N 2 0 202.298 -0.291 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000923421883 644417252 /nfs/dbraw/zinc/41/72/52/644417252.db2.gz SEVSWDCQQOVTFU-SSRBZLIGSA-N 2 0 212.293 -0.585 20 0 BBADRP C[N@@H+]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1(C)C ZINC000923424561 644418907 /nfs/dbraw/zinc/41/89/07/644418907.db2.gz TWTVLWGQKCQIDS-DCAQKATOSA-N 2 0 227.352 -0.137 20 0 BBADRP [NH3+]C[C@@]1(CO)COCCN1CCC[NH2+]C1CC1 ZINC000923424667 644419550 /nfs/dbraw/zinc/41/95/50/644419550.db2.gz APABAXWLJOJIOD-GFCCVEGCSA-N 2 0 243.351 -0.850 20 0 BBADRP [NH3+]C[C@]1(CO)COCCN1CCC[NH2+]C1CC1 ZINC000923424669 644420658 /nfs/dbraw/zinc/42/06/58/644420658.db2.gz APABAXWLJOJIOD-LBPRGKRZSA-N 2 0 243.351 -0.850 20 0 BBADRP OC[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923428568 644422819 /nfs/dbraw/zinc/42/28/19/644422819.db2.gz JJZHFFXSBWHXOW-GHMZBOCLSA-N 2 0 226.320 -0.178 20 0 BBADRP OC[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923428570 644421678 /nfs/dbraw/zinc/42/16/78/644421678.db2.gz JJZHFFXSBWHXOW-MNOVXSKESA-N 2 0 226.320 -0.178 20 0 BBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCO)C2 ZINC000923429383 644422580 /nfs/dbraw/zinc/42/25/80/644422580.db2.gz SKRHDIRFEPADKI-NGZCFLSTSA-N 2 0 228.292 -0.809 20 0 BBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](C)O)C2 ZINC000923429548 644421750 /nfs/dbraw/zinc/42/17/50/644421750.db2.gz WXJMZCWIQPGOKV-GUDRVLHUSA-N 2 0 242.319 -0.421 20 0 BBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](C)O)C2 ZINC000923429549 644422782 /nfs/dbraw/zinc/42/27/82/644422782.db2.gz WXJMZCWIQPGOKV-KLBPJQLPSA-N 2 0 242.319 -0.421 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1CC[NH3+] ZINC000923430227 644422804 /nfs/dbraw/zinc/42/28/04/644422804.db2.gz DEEQDCRDPFKKQW-GCHJQGSQSA-N 3 0 227.352 -0.246 20 0 BBADRP OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000923430797 644424708 /nfs/dbraw/zinc/42/47/08/644424708.db2.gz KNBFJRWUVDWBSG-BETUJISGSA-N 2 0 239.363 -0.121 20 0 BBADRP CC1(C)CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1[NH3+] ZINC000923432867 644427003 /nfs/dbraw/zinc/42/70/03/644427003.db2.gz RVDFEPCBRSDCGL-AATLWQCWSA-N 2 0 213.325 -0.494 20 0 BBADRP CC1(C)CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1[NH3+] ZINC000923432868 644426377 /nfs/dbraw/zinc/42/63/77/644426377.db2.gz RVDFEPCBRSDCGL-XKNYDFJKSA-N 2 0 213.325 -0.494 20 0 BBADRP C[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923433517 644426579 /nfs/dbraw/zinc/42/65/79/644426579.db2.gz UGHWVKAYCOOVQM-NAKRPEOUSA-N 2 0 214.309 -0.052 20 0 BBADRP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923433518 644426763 /nfs/dbraw/zinc/42/67/63/644426763.db2.gz UGHWVKAYCOOVQM-RCWTZXSCSA-N 2 0 214.309 -0.052 20 0 BBADRP C[C@@H]1COCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923433770 644426440 /nfs/dbraw/zinc/42/64/40/644426440.db2.gz XEXKMVAJSPFZEW-NAKRPEOUSA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@H]1COCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923433771 644427049 /nfs/dbraw/zinc/42/70/49/644427049.db2.gz XEXKMVAJSPFZEW-RCWTZXSCSA-N 2 0 214.309 -0.195 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCN1CC[NH2+]CC1 ZINC000923437504 644425193 /nfs/dbraw/zinc/42/51/93/644425193.db2.gz SMJXSPYBYNUPKW-AGIUHOORSA-N 2 0 240.395 -0.038 20 0 BBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCN1CC[NH2+]CC1 ZINC000923437505 644423704 /nfs/dbraw/zinc/42/37/04/644423704.db2.gz SMJXSPYBYNUPKW-AVGNSLFASA-N 2 0 240.395 -0.038 20 0 BBADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCN1CC[NH2+]CC1 ZINC000923437506 644424348 /nfs/dbraw/zinc/42/43/48/644424348.db2.gz SMJXSPYBYNUPKW-FRRDWIJNSA-N 2 0 240.395 -0.038 20 0 BBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCN1CC[NH2+]CC1 ZINC000923437507 644425576 /nfs/dbraw/zinc/42/55/76/644425576.db2.gz SMJXSPYBYNUPKW-RWMBFGLXSA-N 2 0 240.395 -0.038 20 0 BBADRP CNC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451143 644438948 /nfs/dbraw/zinc/43/89/48/644438948.db2.gz MBEGTBHIDSPFRT-JTQLQIEISA-N 2 0 241.335 -0.438 20 0 BBADRP CNC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451145 644439707 /nfs/dbraw/zinc/43/97/07/644439707.db2.gz MBEGTBHIDSPFRT-SNVBAGLBSA-N 2 0 241.335 -0.438 20 0 BBADRP [NH3+]CCN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451678 644440594 /nfs/dbraw/zinc/44/05/94/644440594.db2.gz PDBHJZCQUXBKPF-JTQLQIEISA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]CCN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451679 644439445 /nfs/dbraw/zinc/43/94/45/644439445.db2.gz PDBHJZCQUXBKPF-SNVBAGLBSA-N 2 0 213.325 -0.225 20 0 BBADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCO)CC2 ZINC000923451697 644439456 /nfs/dbraw/zinc/43/94/56/644439456.db2.gz PQKKSQDUUXSQQZ-JTQLQIEISA-N 2 0 214.309 -0.192 20 0 BBADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCO)CC2 ZINC000923451698 644439670 /nfs/dbraw/zinc/43/96/70/644439670.db2.gz PQKKSQDUUXSQQZ-SNVBAGLBSA-N 2 0 214.309 -0.192 20 0 BBADRP C[C@H](C(N)=O)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452820 644442286 /nfs/dbraw/zinc/44/22/86/644442286.db2.gz XSUWPFJCCJVKFA-NXEZZACHSA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452821 644441765 /nfs/dbraw/zinc/44/17/65/644441765.db2.gz XSUWPFJCCJVKFA-UWVGGRQHSA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452996 644441850 /nfs/dbraw/zinc/44/18/50/644441850.db2.gz XSUWPFJCCJVKFA-VHSXEESVSA-N 2 0 241.335 -0.310 20 0 BBADRP C[C@H](C(N)=O)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452998 644442534 /nfs/dbraw/zinc/44/25/34/644442534.db2.gz XSUWPFJCCJVKFA-ZJUUUORDSA-N 2 0 241.335 -0.310 20 0 BBADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923454760 644443992 /nfs/dbraw/zinc/44/39/92/644443992.db2.gz NZUHCHYGKHWABR-SVNGYHJRSA-N 2 0 225.336 -0.479 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455216 644434791 /nfs/dbraw/zinc/43/47/91/644434791.db2.gz UOVTVDPXWJCEJG-QJPTWQEYSA-N 2 0 227.352 -0.359 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455572 644435398 /nfs/dbraw/zinc/43/53/98/644435398.db2.gz YIBGUYJWIHZUHJ-QJPTWQEYSA-N 2 0 225.336 -0.341 20 0 BBADRP CC(C)OC(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459135 644439500 /nfs/dbraw/zinc/43/95/00/644439500.db2.gz AJPHKAFTMCATST-UHFFFAOYSA-N 2 0 243.351 -0.177 20 0 BBADRP COCCOCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459161 644440152 /nfs/dbraw/zinc/44/01/52/644440152.db2.gz BINHHICSCVJVJF-UHFFFAOYSA-N 2 0 231.340 -0.856 20 0 BBADRP CCOC(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459210 644439599 /nfs/dbraw/zinc/43/95/99/644439599.db2.gz DTADWAVOCNZHSN-UHFFFAOYSA-N 2 0 229.324 -0.566 20 0 BBADRP CCOC(=O)[C@@H](CC)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459347 644440444 /nfs/dbraw/zinc/44/04/44/644440444.db2.gz GFLFQRZBBXAASE-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CCOC(=O)[C@H](CC)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459348 644439305 /nfs/dbraw/zinc/43/93/05/644439305.db2.gz GFLFQRZBBXAASE-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP COC(=O)CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459418 644438896 /nfs/dbraw/zinc/43/88/96/644438896.db2.gz IPXUECPZPKIZSH-UHFFFAOYSA-N 2 0 229.324 -0.566 20 0 BBADRP Cn1nccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459419 644440121 /nfs/dbraw/zinc/44/01/21/644440121.db2.gz AIWBTNVVWACYCB-UHFFFAOYSA-N 2 0 223.324 -0.585 20 0 BBADRP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)on1 ZINC000923459422 644440621 /nfs/dbraw/zinc/44/06/21/644440621.db2.gz IRLJVERODQVEMS-UHFFFAOYSA-N 2 0 224.308 -0.022 20 0 BBADRP CCCOC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459676 644439559 /nfs/dbraw/zinc/43/95/59/644439559.db2.gz LCIAGXZYCFYVET-LLVKDONJSA-N 2 0 243.351 -0.177 20 0 BBADRP CCCOC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459677 644440422 /nfs/dbraw/zinc/44/04/22/644440422.db2.gz LCIAGXZYCFYVET-NSHDSACASA-N 2 0 243.351 -0.177 20 0 BBADRP CCOCC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459759 644435377 /nfs/dbraw/zinc/43/53/77/644435377.db2.gz FQIYIWKVXBPQOA-GFCCVEGCSA-N 2 0 245.367 -0.731 20 0 BBADRP CCOCC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459760 644435974 /nfs/dbraw/zinc/43/59/74/644435974.db2.gz FQIYIWKVXBPQOA-LBPRGKRZSA-N 2 0 245.367 -0.731 20 0 BBADRP COc1cc(CN2CC[NH2+]CC[NH2+]CC2)on1 ZINC000923459770 644435599 /nfs/dbraw/zinc/43/55/99/644435599.db2.gz FTVBTZCOHDMCOI-UHFFFAOYSA-N 2 0 240.307 -0.322 20 0 BBADRP C([C@H]1CCC[NH2+]1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459779 644436068 /nfs/dbraw/zinc/43/60/68/644436068.db2.gz GCKFSHXABKWYCI-LLVKDONJSA-N 3 0 212.341 -0.767 20 0 BBADRP CCn1ncc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923459788 644437951 /nfs/dbraw/zinc/43/79/51/644437951.db2.gz GLSUDOLCCYHUQR-UHFFFAOYSA-N 2 0 238.339 -0.707 20 0 BBADRP Cc1conc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459799 644437719 /nfs/dbraw/zinc/43/77/19/644437719.db2.gz GXYSWJMDGUIVBL-UHFFFAOYSA-N 2 0 224.308 -0.022 20 0 BBADRP Cc1nonc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459914 644439263 /nfs/dbraw/zinc/43/92/63/644439263.db2.gz HUIMMFHZHUSWQC-UHFFFAOYSA-N 2 0 225.296 -0.627 20 0 BBADRP F[C@@H]1C[NH2+][C@H](CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923459927 644439922 /nfs/dbraw/zinc/43/99/22/644439922.db2.gz IAGJUPCFHNDEJA-QWRGUYRKSA-N 3 0 230.331 -0.819 20 0 BBADRP FC(F)OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459959 644441678 /nfs/dbraw/zinc/44/16/78/644441678.db2.gz IGSCCMVZYKAOOD-UHFFFAOYSA-N 2 0 223.267 -0.280 20 0 BBADRP Nc1ncccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460013 644444343 /nfs/dbraw/zinc/44/43/43/644444343.db2.gz KDTSAQJQXITJDI-UHFFFAOYSA-N 2 0 235.335 -0.341 20 0 BBADRP Cn1cc(CCN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000923460024 644436125 /nfs/dbraw/zinc/43/61/25/644436125.db2.gz KQTJPQBCMGJWDI-UHFFFAOYSA-N 2 0 237.351 -0.543 20 0 BBADRP c1c(CN2CC[NH2+]CC[NH2+]CC2)nn2c1CCC2 ZINC000923460086 644443458 /nfs/dbraw/zinc/44/34/58/644443458.db2.gz PLRRGPZFSJLIAO-UHFFFAOYSA-N 2 0 249.362 -0.176 20 0 BBADRP Nc1cc(CN2CC[NH2+]CC[NH2+]CC2)ccn1 ZINC000923460088 644443348 /nfs/dbraw/zinc/44/33/48/644443348.db2.gz PMOBNBYQUCPGAO-UHFFFAOYSA-N 2 0 235.335 -0.341 20 0 BBADRP Cc1nnc([C@@H](C)N2CC[NH2+]CC[NH2+]CC2)[nH]1 ZINC000923460102 644442985 /nfs/dbraw/zinc/44/29/85/644442985.db2.gz PYDUTIHMDBMESC-SECBINFHSA-N 2 0 238.339 -0.331 20 0 BBADRP Cc1nnc([C@H](C)N2CC[NH2+]CC[NH2+]CC2)[nH]1 ZINC000923460103 644444012 /nfs/dbraw/zinc/44/40/12/644444012.db2.gz PYDUTIHMDBMESC-VIFPVBQESA-N 2 0 238.339 -0.331 20 0 BBADRP c1cc(CN2CC[NH2+]CC[NH2+]CC2)no1 ZINC000923460118 644443436 /nfs/dbraw/zinc/44/34/36/644443436.db2.gz QNMGVTUTHTWJNS-UHFFFAOYSA-N 2 0 210.281 -0.331 20 0 BBADRP CCCCOC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460120 644443517 /nfs/dbraw/zinc/44/35/17/644443517.db2.gz QPTVEMZYKXPLPK-UHFFFAOYSA-N 2 0 243.351 -0.176 20 0 BBADRP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)nn1C ZINC000923460265 644436920 /nfs/dbraw/zinc/43/69/20/644436920.db2.gz LUYOCUJWOFHUOZ-UHFFFAOYSA-N 2 0 237.351 -0.277 20 0 BBADRP Cc1nnsc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460268 644437148 /nfs/dbraw/zinc/43/71/48/644437148.db2.gz LUYXQZKKEIDBFM-UHFFFAOYSA-N 2 0 241.364 -0.159 20 0 BBADRP C(C[NH2+]C1CC1)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460450 644442030 /nfs/dbraw/zinc/44/20/30/644442030.db2.gz OGEXCVZTAXMQSR-UHFFFAOYSA-N 3 0 226.368 -0.377 20 0 BBADRP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)ncn1 ZINC000923460484 644446229 /nfs/dbraw/zinc/44/62/29/644446229.db2.gz SXPIFQMJKZOOMI-UHFFFAOYSA-N 2 0 235.335 -0.220 20 0 BBADRP COC(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460523 644446998 /nfs/dbraw/zinc/44/69/98/644446998.db2.gz URAGZEIWEZVSMY-UHFFFAOYSA-N 2 0 215.297 -0.956 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460714 644446253 /nfs/dbraw/zinc/44/62/53/644446253.db2.gz PPIXZFZWVLLYOL-NEPJUHHUSA-N 3 0 226.368 -0.663 20 0 BBADRP C(C[NH+]1CCNCCNCC1)[C@H]1CC[NH2+]C1 ZINC000923460775 644446620 /nfs/dbraw/zinc/44/66/20/644446620.db2.gz VGWLPAZVPOCPMH-GFCCVEGCSA-N 2 0 226.368 -0.519 20 0 BBADRP C(C[NH+]1CCNCCNCC1)[C@@H]1CC[NH2+]C1 ZINC000923460776 644447458 /nfs/dbraw/zinc/44/74/58/644447458.db2.gz VGWLPAZVPOCPMH-LBPRGKRZSA-N 2 0 226.368 -0.519 20 0 BBADRP Cc1nocc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460845 644446429 /nfs/dbraw/zinc/44/64/29/644446429.db2.gz SBHZONNAFVPWOR-UHFFFAOYSA-N 2 0 224.308 -0.022 20 0 BBADRP COC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460922 644447506 /nfs/dbraw/zinc/44/75/06/644447506.db2.gz XUHBCFDQMQPFHC-SECBINFHSA-N 2 0 215.297 -0.957 20 0 BBADRP COC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460923 644445940 /nfs/dbraw/zinc/44/59/40/644445940.db2.gz XUHBCFDQMQPFHC-VIFPVBQESA-N 2 0 215.297 -0.957 20 0 BBADRP c1cc(CN2CC[NH2+]CC[NH2+]CC2)on1 ZINC000923461042 644447021 /nfs/dbraw/zinc/44/70/21/644447021.db2.gz JRMWSTFTLIYBSA-UHFFFAOYSA-N 2 0 210.281 -0.331 20 0 BBADRP CCOC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461102 644445508 /nfs/dbraw/zinc/44/55/08/644445508.db2.gz YKUUYVRHNQIACH-JTQLQIEISA-N 2 0 229.324 -0.567 20 0 BBADRP CCOC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461103 644446372 /nfs/dbraw/zinc/44/63/72/644446372.db2.gz YKUUYVRHNQIACH-SNVBAGLBSA-N 2 0 229.324 -0.567 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCNCCNCC2)C1 ZINC000923461195 644445553 /nfs/dbraw/zinc/44/55/53/644445553.db2.gz UFSHFZFRUGQPDH-NWDGAFQWSA-N 2 0 226.368 -0.391 20 0 BBADRP Cn1nccc1CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461212 644445408 /nfs/dbraw/zinc/44/54/08/644445408.db2.gz UNEHMVUVXCZSJH-UHFFFAOYSA-N 2 0 237.351 -0.543 20 0 BBADRP CSC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461247 644446158 /nfs/dbraw/zinc/44/61/58/644446158.db2.gz UYQXMQVGEWCJAX-JTQLQIEISA-N 2 0 233.381 -0.795 20 0 BBADRP CSC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461265 644445428 /nfs/dbraw/zinc/44/54/28/644445428.db2.gz UYQXMQVGEWCJAX-SNVBAGLBSA-N 2 0 233.381 -0.795 20 0 BBADRP C([C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461269 644446581 /nfs/dbraw/zinc/44/65/81/644446581.db2.gz VAXKHDKCJAWYRH-GFCCVEGCSA-N 3 0 226.368 -0.519 20 0 BBADRP C([C@H]1CCC[NH2+]C1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461270 644446774 /nfs/dbraw/zinc/44/67/74/644446774.db2.gz VAXKHDKCJAWYRH-LBPRGKRZSA-N 3 0 226.368 -0.519 20 0 BBADRP FC1(F)C[C@@H]1OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461375 644445642 /nfs/dbraw/zinc/44/56/42/644445642.db2.gz WGMYKUJSBUKLEG-JTQLQIEISA-N 2 0 249.305 -0.095 20 0 BBADRP FC1(F)C[C@H]1OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461384 644447311 /nfs/dbraw/zinc/44/73/11/644447311.db2.gz WGMYKUJSBUKLEG-SNVBAGLBSA-N 2 0 249.305 -0.095 20 0 BBADRP Cc1nccnc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461418 644446701 /nfs/dbraw/zinc/44/67/01/644446701.db2.gz WWYTZMQWNKTHQC-UHFFFAOYSA-N 2 0 235.335 -0.220 20 0 BBADRP CCOCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461474 644445757 /nfs/dbraw/zinc/44/57/57/644445757.db2.gz OPRAUIGLMNJXGM-UHFFFAOYSA-N 2 0 201.314 -0.482 20 0 BBADRP C(CN1CC[NH2+]CC[NH2+]CC1)OC1CC1 ZINC000923461525 644445887 /nfs/dbraw/zinc/44/58/87/644445887.db2.gz YDTWFHNDDUCAIN-UHFFFAOYSA-N 2 0 213.325 -0.340 20 0 BBADRP CCOCCOCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461535 644445177 /nfs/dbraw/zinc/44/51/77/644445177.db2.gz YJGUXMQGAMWYPZ-UHFFFAOYSA-N 2 0 245.367 -0.466 20 0 BBADRP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)no1 ZINC000923461575 644447101 /nfs/dbraw/zinc/44/71/01/644447101.db2.gz ZWBXGHYLKFVLOQ-UHFFFAOYSA-N 2 0 224.308 -0.022 20 0 BBADRP Cc1c[nH]nc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461584 644445958 /nfs/dbraw/zinc/44/59/58/644445958.db2.gz ZZEORHSLVCRQSY-UHFFFAOYSA-N 2 0 223.324 -0.287 20 0 BBADRP C(C[NH+]1CCNCCNCC1)C1CC[NH2+]CC1 ZINC000923462013 644447078 /nfs/dbraw/zinc/44/70/78/644447078.db2.gz APLBSOJTXZNMQI-UHFFFAOYSA-N 2 0 240.395 -0.129 20 0 BBADRP C(C[NH+]1CCNCCNCC1)[C@H]1CCC[NH2+]C1 ZINC000923462086 644445705 /nfs/dbraw/zinc/44/57/05/644445705.db2.gz CHRIXDKHDNRBMT-CYBMUJFWSA-N 2 0 240.395 -0.129 20 0 BBADRP C(C[NH+]1CCNCCNCC1)[C@@H]1CCC[NH2+]C1 ZINC000923462087 644447639 /nfs/dbraw/zinc/44/76/39/644447639.db2.gz CHRIXDKHDNRBMT-ZDUSSCGKSA-N 2 0 240.395 -0.129 20 0 BBADRP FC(F)COCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923462226 644446459 /nfs/dbraw/zinc/44/64/59/644446459.db2.gz FGEMHFYLZHETHR-UHFFFAOYSA-N 2 0 237.294 -0.237 20 0 BBADRP Cn1cc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000923462290 644447531 /nfs/dbraw/zinc/44/75/31/644447531.db2.gz HZMQNQBDVNWANF-UHFFFAOYSA-N 2 0 223.324 -0.585 20 0 BBADRP Cc1cnc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000923462292 644445241 /nfs/dbraw/zinc/44/52/41/644445241.db2.gz ICXNWGHYOHGYDC-UHFFFAOYSA-N 2 0 235.335 -0.220 20 0 BBADRP c1cnn(CCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923462570 644445337 /nfs/dbraw/zinc/44/53/37/644445337.db2.gz LEJUHRVSPQPFTN-UHFFFAOYSA-N 2 0 223.324 -0.622 20 0 BBADRP Cc1cnc(CN2CC[NH2+]CC[NH2+]CC2)o1 ZINC000923463003 644446395 /nfs/dbraw/zinc/44/63/95/644446395.db2.gz OCNZZKZZPZLWSF-UHFFFAOYSA-N 2 0 224.308 -0.022 20 0 BBADRP C(C1CC[NH2+]CC1)[NH+]1CCNCCNCC1 ZINC000923463484 644450292 /nfs/dbraw/zinc/45/02/92/644450292.db2.gz SJFRFLBDJBKZHU-UHFFFAOYSA-N 2 0 226.368 -0.519 20 0 BBADRP O[C@H](CN1CC[NH2+]CC[NH2+]CC1)C(F)(F)F ZINC000923464093 644448480 /nfs/dbraw/zinc/44/84/80/644448480.db2.gz ZHGMRHACZUBCJR-MRVPVSSYSA-N 2 0 241.257 -0.596 20 0 BBADRP O[C@@H](CN1CC[NH2+]CC[NH2+]CC1)C(F)(F)F ZINC000923464094 644448033 /nfs/dbraw/zinc/44/80/33/644448033.db2.gz ZHGMRHACZUBCJR-QMMMGPOBSA-N 2 0 241.257 -0.596 20 0 BBADRP CCc1noc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923465156 644443876 /nfs/dbraw/zinc/44/38/76/644443876.db2.gz VNHFGTIOTQNRDF-UHFFFAOYSA-N 2 0 239.323 -0.373 20 0 BBADRP Cc1noc([C@@H](C)N2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923465174 644444361 /nfs/dbraw/zinc/44/43/61/644444361.db2.gz WGVLMXAMNNHRAT-SECBINFHSA-N 2 0 239.323 -0.066 20 0 BBADRP Cc1noc([C@H](C)N2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923465175 644443742 /nfs/dbraw/zinc/44/37/42/644443742.db2.gz WGVLMXAMNNHRAT-VIFPVBQESA-N 2 0 239.323 -0.066 20 0 BBADRP CCc1nc(CN2CC[NH2+]CC[NH2+]CC2)no1 ZINC000923465210 644443934 /nfs/dbraw/zinc/44/39/34/644443934.db2.gz XERCZSAMWBRJJN-UHFFFAOYSA-N 2 0 239.323 -0.373 20 0 BBADRP CC(C)OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923466670 644443180 /nfs/dbraw/zinc/44/31/80/644443180.db2.gz TUFKJZTZKIRPOC-UHFFFAOYSA-N 2 0 215.341 -0.094 20 0 BBADRP C[NH2+]CCCN1CCC[C@@]([NH3+])(CO)C1 ZINC000923470757 644448046 /nfs/dbraw/zinc/44/80/46/644448046.db2.gz ACOBWPKODQBMFY-JTQLQIEISA-N 2 0 201.314 -0.619 20 0 BBADRP C[NH2+]CCCN1CCC[C@]([NH3+])(CO)C1 ZINC000923470759 644449151 /nfs/dbraw/zinc/44/91/51/644449151.db2.gz ACOBWPKODQBMFY-SNVBAGLBSA-N 2 0 201.314 -0.619 20 0 BBADRP N[C@]1(CO)CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000923472336 644456202 /nfs/dbraw/zinc/45/62/02/644456202.db2.gz KUKBASOTLYOCJB-GFCCVEGCSA-N 2 0 227.352 -0.228 20 0 BBADRP N[C@@]1(CO)CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000923472338 644455763 /nfs/dbraw/zinc/45/57/63/644455763.db2.gz KUKBASOTLYOCJB-LBPRGKRZSA-N 2 0 227.352 -0.228 20 0 BBADRP [NH3+][C@]1(CO)CCCN(CCC[NH2+]C2CC2)C1 ZINC000923473888 644451297 /nfs/dbraw/zinc/45/12/97/644451297.db2.gz PAVNGNDMIUEZNI-GFCCVEGCSA-N 2 0 227.352 -0.086 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(CCC[NH2+]C2CC2)C1 ZINC000923473889 644452232 /nfs/dbraw/zinc/45/22/32/644452232.db2.gz PAVNGNDMIUEZNI-LBPRGKRZSA-N 2 0 227.352 -0.086 20 0 BBADRP [NH3+][C@]1(CO)CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000923474222 644451783 /nfs/dbraw/zinc/45/17/83/644451783.db2.gz ZEQDMQAPONFYBB-GHMZBOCLSA-N 2 0 213.325 -0.619 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000923474223 644450882 /nfs/dbraw/zinc/45/08/82/644450882.db2.gz ZEQDMQAPONFYBB-MNOVXSKESA-N 2 0 213.325 -0.619 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000923474225 644451707 /nfs/dbraw/zinc/45/17/07/644451707.db2.gz ZEQDMQAPONFYBB-QWRGUYRKSA-N 2 0 213.325 -0.619 20 0 BBADRP [NH3+][C@]1(CO)CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000923474227 644451322 /nfs/dbraw/zinc/45/13/22/644451322.db2.gz ZEQDMQAPONFYBB-WDEREUQCSA-N 2 0 213.325 -0.619 20 0 BBADRP N[C@]1(CO)CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000923474338 644452023 /nfs/dbraw/zinc/45/20/23/644452023.db2.gz SCJQIWYEZALEBG-QJPTWQEYSA-N 2 0 227.352 -0.101 20 0 BBADRP N[C@@]1(CO)CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000923474340 644450702 /nfs/dbraw/zinc/45/07/02/644450702.db2.gz SCJQIWYEZALEBG-TUAOUCFPSA-N 2 0 227.352 -0.101 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000923474365 644453863 /nfs/dbraw/zinc/45/38/63/644453863.db2.gz HCXMDTFLYURKJW-NEPJUHHUSA-N 2 0 227.352 -0.228 20 0 BBADRP [NH3+][C@]1(CO)CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000923474367 644453952 /nfs/dbraw/zinc/45/39/52/644453952.db2.gz HCXMDTFLYURKJW-NWDGAFQWSA-N 2 0 227.352 -0.228 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000923474369 644454861 /nfs/dbraw/zinc/45/48/61/644454861.db2.gz HCXMDTFLYURKJW-RYUDHWBXSA-N 2 0 227.352 -0.228 20 0 BBADRP [NH3+][C@]1(CO)CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000923474370 644454771 /nfs/dbraw/zinc/45/47/71/644454771.db2.gz HCXMDTFLYURKJW-VXGBXAGGSA-N 2 0 227.352 -0.228 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000923474598 644454789 /nfs/dbraw/zinc/45/47/89/644454789.db2.gz UCASNEHXCSCPIJ-DCAQKATOSA-N 2 0 231.315 -0.528 20 0 BBADRP [NH3+][C@]1(CO)CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000923474599 644453611 /nfs/dbraw/zinc/45/36/11/644453611.db2.gz UCASNEHXCSCPIJ-GARJFASQSA-N 2 0 231.315 -0.528 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@]([NH3+])(CO)C1 ZINC000923474684 644453827 /nfs/dbraw/zinc/45/38/27/644453827.db2.gz UTFQKLOEQQSHHD-GRYCIOLGSA-N 2 0 227.352 -0.373 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923474690 644453639 /nfs/dbraw/zinc/45/36/39/644453639.db2.gz UTFQKLOEQQSHHD-WOPDTQHZSA-N 2 0 227.352 -0.373 20 0 BBADRP [NH3+][C@]1(CO)CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000923474831 644454512 /nfs/dbraw/zinc/45/45/12/644454512.db2.gz VTISOFDUJSJZBB-GHMZBOCLSA-N 2 0 213.325 -0.476 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000923474832 644454865 /nfs/dbraw/zinc/45/48/65/644454865.db2.gz VTISOFDUJSJZBB-MNOVXSKESA-N 2 0 213.325 -0.476 20 0 BBADRP COC[C@@H](C)N1CCC[C@]([NH3+])(CO)C1 ZINC000923475034 644452675 /nfs/dbraw/zinc/45/26/75/644452675.db2.gz ZWBIGZHGSUYQBL-NXEZZACHSA-N 2 0 202.298 -0.193 20 0 BBADRP COC[C@H](C)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923475035 644454294 /nfs/dbraw/zinc/45/42/94/644454294.db2.gz ZWBIGZHGSUYQBL-UWVGGRQHSA-N 2 0 202.298 -0.193 20 0 BBADRP COC[C@H](C)N1CCC[C@]([NH3+])(CO)C1 ZINC000923475036 644454846 /nfs/dbraw/zinc/45/48/46/644454846.db2.gz ZWBIGZHGSUYQBL-VHSXEESVSA-N 2 0 202.298 -0.193 20 0 BBADRP COC[C@@H](C)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923475037 644453423 /nfs/dbraw/zinc/45/34/23/644453423.db2.gz ZWBIGZHGSUYQBL-ZJUUUORDSA-N 2 0 202.298 -0.193 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000923475226 644454715 /nfs/dbraw/zinc/45/47/15/644454715.db2.gz PDYOIESNIHZGRX-NEPJUHHUSA-N 2 0 227.352 -0.228 20 0 BBADRP [NH3+][C@]1(CO)CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000923475227 644453735 /nfs/dbraw/zinc/45/37/35/644453735.db2.gz PDYOIESNIHZGRX-NWDGAFQWSA-N 2 0 227.352 -0.228 20 0 BBADRP [NH3+][C@@]1(CO)CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000923475228 644454141 /nfs/dbraw/zinc/45/41/41/644454141.db2.gz PDYOIESNIHZGRX-RYUDHWBXSA-N 2 0 227.352 -0.228 20 0 BBADRP [NH3+][C@]1(CO)CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000923475229 644452989 /nfs/dbraw/zinc/45/29/89/644452989.db2.gz PDYOIESNIHZGRX-VXGBXAGGSA-N 2 0 227.352 -0.228 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478396 644455959 /nfs/dbraw/zinc/45/59/59/644455959.db2.gz BKMFNFDXXHRYNR-SECBINFHSA-N 2 0 224.312 -0.577 20 0 BBADRP Cn1nnnc1CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478400 644456077 /nfs/dbraw/zinc/45/60/77/644456077.db2.gz BKMFNFDXXHRYNR-VIFPVBQESA-N 2 0 224.312 -0.577 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480077 712334757 /nfs/dbraw/zinc/33/47/57/712334757.db2.gz DYJTXZRECLXLSE-GHMZBOCLSA-N 3 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480078 712334164 /nfs/dbraw/zinc/33/41/64/712334164.db2.gz DYJTXZRECLXLSE-MNOVXSKESA-N 3 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480080 712334319 /nfs/dbraw/zinc/33/43/19/712334319.db2.gz DYJTXZRECLXLSE-QWRGUYRKSA-N 3 0 215.341 -0.373 20 0 BBADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480082 712334270 /nfs/dbraw/zinc/33/42/70/712334270.db2.gz DYJTXZRECLXLSE-WDEREUQCSA-N 3 0 215.341 -0.373 20 0 BBADRP CON1CC[C@@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923480646 644460241 /nfs/dbraw/zinc/46/02/41/644460241.db2.gz ZIDQKMWUIPQKRP-NXEZZACHSA-N 2 0 227.308 -0.181 20 0 BBADRP CON1CC[C@H]([N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923480648 644460121 /nfs/dbraw/zinc/46/01/21/644460121.db2.gz ZIDQKMWUIPQKRP-UWVGGRQHSA-N 2 0 227.308 -0.181 20 0 BBADRP CON1CC[C@@H]([N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923480651 644459996 /nfs/dbraw/zinc/45/99/96/644459996.db2.gz ZIDQKMWUIPQKRP-VHSXEESVSA-N 2 0 227.308 -0.181 20 0 BBADRP CON1CC[C@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923480654 644459412 /nfs/dbraw/zinc/45/94/12/644459412.db2.gz ZIDQKMWUIPQKRP-ZJUUUORDSA-N 2 0 227.308 -0.181 20 0 BBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481014 644458887 /nfs/dbraw/zinc/45/88/87/644458887.db2.gz FNOUYXVQYVJBHG-JTQLQIEISA-N 2 0 249.380 -0.404 20 0 BBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481015 644459680 /nfs/dbraw/zinc/45/96/80/644459680.db2.gz FNOUYXVQYVJBHG-SNVBAGLBSA-N 2 0 249.380 -0.404 20 0 BBADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000923481659 644459150 /nfs/dbraw/zinc/45/91/50/644459150.db2.gz UAMAGRMBGMFMMT-GHMZBOCLSA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000923481660 644460455 /nfs/dbraw/zinc/46/04/55/644460455.db2.gz UAMAGRMBGMFMMT-MNOVXSKESA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000923481661 644459027 /nfs/dbraw/zinc/45/90/27/644459027.db2.gz UAMAGRMBGMFMMT-QWRGUYRKSA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000923481662 644458191 /nfs/dbraw/zinc/45/81/91/644458191.db2.gz UAMAGRMBGMFMMT-WDEREUQCSA-N 3 0 213.325 -0.355 20 0 BBADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923484215 644461207 /nfs/dbraw/zinc/46/12/07/644461207.db2.gz HTPDIJFOYFPKCZ-NEPJUHHUSA-N 2 0 238.335 -0.085 20 0 BBADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923484216 644462082 /nfs/dbraw/zinc/46/20/82/644462082.db2.gz HTPDIJFOYFPKCZ-NWDGAFQWSA-N 2 0 238.335 -0.085 20 0 BBADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923484217 644463485 /nfs/dbraw/zinc/46/34/85/644463485.db2.gz HTPDIJFOYFPKCZ-RYUDHWBXSA-N 2 0 238.335 -0.085 20 0 BBADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923484218 644461473 /nfs/dbraw/zinc/46/14/73/644461473.db2.gz HTPDIJFOYFPKCZ-VXGBXAGGSA-N 2 0 238.335 -0.085 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484867 644463232 /nfs/dbraw/zinc/46/32/32/644463232.db2.gz PDQWVTGLEHCFKR-JTQLQIEISA-N 3 0 201.314 -0.368 20 0 BBADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484868 644461026 /nfs/dbraw/zinc/46/10/26/644461026.db2.gz PDQWVTGLEHCFKR-SNVBAGLBSA-N 3 0 201.314 -0.368 20 0 BBADRP C[C@@H]1C[N@H+](CCc2nnnn2C)CC[C@@H]1C[NH3+] ZINC000923489364 644465030 /nfs/dbraw/zinc/46/50/30/644465030.db2.gz JFFUJAPMXJFXJU-NXEZZACHSA-N 2 0 238.339 -0.331 20 0 BBADRP C[C@H]1C[N@H+](CCc2nnnn2C)CC[C@H]1C[NH3+] ZINC000923489365 644466424 /nfs/dbraw/zinc/46/64/24/644466424.db2.gz JFFUJAPMXJFXJU-UWVGGRQHSA-N 2 0 238.339 -0.331 20 0 BBADRP C[C@H]1C[N@H+](CCc2nnnn2C)CC[C@@H]1C[NH3+] ZINC000923489368 644465844 /nfs/dbraw/zinc/46/58/44/644465844.db2.gz JFFUJAPMXJFXJU-VHSXEESVSA-N 2 0 238.339 -0.331 20 0 BBADRP C[C@@H]1C[N@H+](CCc2nnnn2C)CC[C@H]1C[NH3+] ZINC000923489371 644465919 /nfs/dbraw/zinc/46/59/19/644465919.db2.gz JFFUJAPMXJFXJU-ZJUUUORDSA-N 2 0 238.339 -0.331 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C[NH3+] ZINC000923489788 644465006 /nfs/dbraw/zinc/46/50/06/644465006.db2.gz KXWDVSVGKQZDPL-DGORSVRFSA-N 3 0 227.352 -0.246 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C[NH3+] ZINC000923489789 644466354 /nfs/dbraw/zinc/46/63/54/644466354.db2.gz KXWDVSVGKQZDPL-GCHJQGSQSA-N 3 0 227.352 -0.246 20 0 BBADRP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C[NH3+] ZINC000923489790 644466060 /nfs/dbraw/zinc/46/60/60/644466060.db2.gz KXWDVSVGKQZDPL-HTFCKZLJSA-N 3 0 227.352 -0.246 20 0 BBADRP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C[NH3+] ZINC000923489791 644465118 /nfs/dbraw/zinc/46/51/18/644465118.db2.gz KXWDVSVGKQZDPL-OSUNSFLBSA-N 3 0 227.352 -0.246 20 0 BBADRP C[C@@H]1C[N@H+](CCCS(N)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923490995 644465331 /nfs/dbraw/zinc/46/53/31/644465331.db2.gz PQSJNXACRRLBHC-NXEZZACHSA-N 2 0 249.380 -0.418 20 0 BBADRP C[C@H]1C[N@H+](CCCS(N)(=O)=O)CC[C@H]1C[NH3+] ZINC000923490997 644465769 /nfs/dbraw/zinc/46/57/69/644465769.db2.gz PQSJNXACRRLBHC-UWVGGRQHSA-N 2 0 249.380 -0.418 20 0 BBADRP C[C@H]1C[N@H+](CCCS(N)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923490999 644466069 /nfs/dbraw/zinc/46/60/69/644466069.db2.gz PQSJNXACRRLBHC-VHSXEESVSA-N 2 0 249.380 -0.418 20 0 BBADRP C[C@@H]1C[N@H+](CCCS(N)(=O)=O)CC[C@H]1C[NH3+] ZINC000923491001 644464689 /nfs/dbraw/zinc/46/46/89/644464689.db2.gz PQSJNXACRRLBHC-ZJUUUORDSA-N 2 0 249.380 -0.418 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491228 644465656 /nfs/dbraw/zinc/46/56/56/644465656.db2.gz LIJKQTBABJGWQI-JTQLQIEISA-N 2 0 249.380 -0.404 20 0 BBADRP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491230 644464827 /nfs/dbraw/zinc/46/48/27/644464827.db2.gz LIJKQTBABJGWQI-SNVBAGLBSA-N 2 0 249.380 -0.404 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC000923491391 644464602 /nfs/dbraw/zinc/46/46/02/644464602.db2.gz RHUDDXGGRPDYAT-GRYCIOLGSA-N 2 0 227.352 -0.109 20 0 BBADRP C[C@@H]1C[N@H+](C[C@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC000923491394 644465889 /nfs/dbraw/zinc/46/58/89/644465889.db2.gz RHUDDXGGRPDYAT-IJLUTSLNSA-N 2 0 227.352 -0.109 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H]2CNCCO2)CC[C@@H]1C[NH3+] ZINC000923491396 644464726 /nfs/dbraw/zinc/46/47/26/644464726.db2.gz RHUDDXGGRPDYAT-UTUOFQBUSA-N 2 0 227.352 -0.109 20 0 BBADRP C[C@@H]1C[N@H+](C[C@@H]2CNCCO2)CC[C@H]1C[NH3+] ZINC000923491397 644465703 /nfs/dbraw/zinc/46/57/03/644465703.db2.gz RHUDDXGGRPDYAT-WOPDTQHZSA-N 2 0 227.352 -0.109 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492835 644467216 /nfs/dbraw/zinc/46/72/16/644467216.db2.gz QDFQEUYGSGCWOM-AXFHLTTASA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492836 644467968 /nfs/dbraw/zinc/46/79/68/644467968.db2.gz QDFQEUYGSGCWOM-DCAQKATOSA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492837 644468369 /nfs/dbraw/zinc/46/83/69/644468369.db2.gz QDFQEUYGSGCWOM-GARJFASQSA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492838 644466852 /nfs/dbraw/zinc/46/68/52/644466852.db2.gz QDFQEUYGSGCWOM-GMTAPVOTSA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492839 644468292 /nfs/dbraw/zinc/46/82/92/644468292.db2.gz QDFQEUYGSGCWOM-HBNTYKKESA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492840 644468378 /nfs/dbraw/zinc/46/83/78/644468378.db2.gz QDFQEUYGSGCWOM-MXWKQRLJSA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492841 644467956 /nfs/dbraw/zinc/46/79/56/644467956.db2.gz QDFQEUYGSGCWOM-OUAUKWLOSA-N 2 0 216.325 -0.090 20 0 BBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492842 644467225 /nfs/dbraw/zinc/46/72/25/644467225.db2.gz QDFQEUYGSGCWOM-VWYCJHECSA-N 2 0 216.325 -0.090 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495181 644461451 /nfs/dbraw/zinc/46/14/51/644461451.db2.gz UWYZBXTVJGOYJV-SRVKXCTJSA-N 3 0 229.368 -0.127 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495182 644462260 /nfs/dbraw/zinc/46/22/60/644462260.db2.gz UWYZBXTVJGOYJV-TUAOUCFPSA-N 3 0 229.368 -0.127 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495183 644463391 /nfs/dbraw/zinc/46/33/91/644463391.db2.gz UWYZBXTVJGOYJV-UTUOFQBUSA-N 3 0 229.368 -0.127 20 0 BBADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495184 644463473 /nfs/dbraw/zinc/46/34/73/644463473.db2.gz UWYZBXTVJGOYJV-WOPDTQHZSA-N 3 0 229.368 -0.127 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC[C@@H]1C[NH3+] ZINC000923497505 644473284 /nfs/dbraw/zinc/47/32/84/644473284.db2.gz LGOLBNYCVGQUHF-BBBLOLIVSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC[C@H]1C[NH3+] ZINC000923497506 644473784 /nfs/dbraw/zinc/47/37/84/644473784.db2.gz LGOLBNYCVGQUHF-KXUCPTDWSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC[C@@H]1C[NH3+] ZINC000923497507 644473033 /nfs/dbraw/zinc/47/30/33/644473033.db2.gz LGOLBNYCVGQUHF-OPRDCNLKSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC[C@H]1C[NH3+] ZINC000923497508 644473562 /nfs/dbraw/zinc/47/35/62/644473562.db2.gz LGOLBNYCVGQUHF-UTLUCORTSA-N 2 0 211.309 -0.208 20 0 BBADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923497990 644473341 /nfs/dbraw/zinc/47/33/41/644473341.db2.gz HFNKERIHEWNLEA-CHWSQXEVSA-N 3 0 240.395 -0.192 20 0 BBADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923497991 644472238 /nfs/dbraw/zinc/47/22/38/644472238.db2.gz HFNKERIHEWNLEA-OLZOCXBDSA-N 3 0 240.395 -0.192 20 0 BBADRP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923497992 644472783 /nfs/dbraw/zinc/47/27/83/644472783.db2.gz HFNKERIHEWNLEA-QWHCGFSZSA-N 3 0 240.395 -0.192 20 0 BBADRP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923497993 644473924 /nfs/dbraw/zinc/47/39/24/644473924.db2.gz HFNKERIHEWNLEA-STQMWFEESA-N 3 0 240.395 -0.192 20 0 BBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923499236 644472323 /nfs/dbraw/zinc/47/23/23/644472323.db2.gz RQTKBBPEFNZAAC-NXEZZACHSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923499238 644472616 /nfs/dbraw/zinc/47/26/16/644472616.db2.gz RQTKBBPEFNZAAC-UWVGGRQHSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923499239 644474063 /nfs/dbraw/zinc/47/40/63/644474063.db2.gz RQTKBBPEFNZAAC-VHSXEESVSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923499241 644472343 /nfs/dbraw/zinc/47/23/43/644472343.db2.gz RQTKBBPEFNZAAC-ZJUUUORDSA-N 2 0 249.380 -0.548 20 0 BBADRP C[C@@H]1C[N@H+](CCOCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923500341 644473289 /nfs/dbraw/zinc/47/32/89/644473289.db2.gz NQJWXBJMAIFWRN-GHMZBOCLSA-N 3 0 215.341 -0.122 20 0 BBADRP C[C@@H]1C[N@H+](CCOCC[NH3+])CC[C@H]1C[NH3+] ZINC000923500343 644473112 /nfs/dbraw/zinc/47/31/12/644473112.db2.gz NQJWXBJMAIFWRN-MNOVXSKESA-N 3 0 215.341 -0.122 20 0 BBADRP C[C@H]1C[N@H+](CCOCC[NH3+])CC[C@H]1C[NH3+] ZINC000923500345 644474186 /nfs/dbraw/zinc/47/41/86/644474186.db2.gz NQJWXBJMAIFWRN-QWRGUYRKSA-N 3 0 215.341 -0.122 20 0 BBADRP C[C@H]1C[N@H+](CCOCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923500346 644473574 /nfs/dbraw/zinc/47/35/74/644473574.db2.gz NQJWXBJMAIFWRN-WDEREUQCSA-N 3 0 215.341 -0.122 20 0 BBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504946 644474872 /nfs/dbraw/zinc/47/48/72/644474872.db2.gz XCAZQWNZWJPSJT-BDAKNGLRSA-N 2 0 242.323 -0.641 20 0 BBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923504947 644475734 /nfs/dbraw/zinc/47/57/34/644475734.db2.gz XCAZQWNZWJPSJT-DTWKUNHWSA-N 2 0 242.323 -0.641 20 0 BBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923505048 644474743 /nfs/dbraw/zinc/47/47/43/644474743.db2.gz XCAZQWNZWJPSJT-IUCAKERBSA-N 2 0 242.323 -0.641 20 0 BBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923505049 644475848 /nfs/dbraw/zinc/47/58/48/644475848.db2.gz XCAZQWNZWJPSJT-RKDXNWHRSA-N 2 0 242.323 -0.641 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923509574 644478319 /nfs/dbraw/zinc/47/83/19/644478319.db2.gz QIPRWRYDSDNJIF-OPRDCNLKSA-N 2 0 201.314 -0.764 20 0 BBADRP CON1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923515588 644479794 /nfs/dbraw/zinc/47/97/94/644479794.db2.gz ICDDCANNTICEMY-AXFHLTTASA-N 2 0 239.319 -0.310 20 0 BBADRP CON1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923515589 644481136 /nfs/dbraw/zinc/48/11/36/644481136.db2.gz ICDDCANNTICEMY-HBNTYKKESA-N 2 0 239.319 -0.310 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923516145 644479735 /nfs/dbraw/zinc/47/97/35/644479735.db2.gz XGMRDLQLUPIUEN-GMTAPVOTSA-N 2 0 215.341 -0.517 20 0 BBADRP CCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516210 644479523 /nfs/dbraw/zinc/47/95/23/644479523.db2.gz VDPAXIBIBJRECQ-QJPTWQEYSA-N 2 0 228.336 -0.075 20 0 BBADRP CCOC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516211 644481470 /nfs/dbraw/zinc/48/14/70/644481470.db2.gz VDPAXIBIBJRECQ-TUAOUCFPSA-N 2 0 228.336 -0.075 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516216 644480932 /nfs/dbraw/zinc/48/09/32/644480932.db2.gz VGSWOWXCODYHAU-AXFHLTTASA-N 2 0 214.309 -0.465 20 0 BBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516217 644479950 /nfs/dbraw/zinc/47/99/50/644479950.db2.gz VGSWOWXCODYHAU-HBNTYKKESA-N 2 0 214.309 -0.465 20 0 BBADRP Cn1nnnc1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516311 644480912 /nfs/dbraw/zinc/48/09/12/644480912.db2.gz YOYPYMINLQZWIF-VHSXEESVSA-N 2 0 236.323 -0.706 20 0 BBADRP NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516333 644480462 /nfs/dbraw/zinc/48/04/62/644480462.db2.gz ZJBPOQOTKFOWPM-VHSXEESVSA-N 2 0 247.364 -0.794 20 0 BBADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516519 644480844 /nfs/dbraw/zinc/48/08/44/644480844.db2.gz IKVMUSJXEJMPMA-WDEREUQCSA-N 3 0 213.325 -0.497 20 0 BBADRP O=C1NCC[C@H]1[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518269 644483531 /nfs/dbraw/zinc/48/35/31/644483531.db2.gz CCHNRVPESVIXCC-IVZWLZJFSA-N 2 0 209.293 -0.584 20 0 BBADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518883 644483913 /nfs/dbraw/zinc/48/39/13/644483913.db2.gz FQHQJQATTWXTGU-QJPTWQEYSA-N 2 0 227.352 -0.502 20 0 BBADRP C[NH2+]C[C@](C)(O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518885 644482595 /nfs/dbraw/zinc/48/25/95/644482595.db2.gz FQHQJQATTWXTGU-TUAOUCFPSA-N 2 0 227.352 -0.502 20 0 BBADRP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520670 644482551 /nfs/dbraw/zinc/48/25/51/644482551.db2.gz SLYHLKAYVPRJKL-DTWKUNHWSA-N 2 0 240.307 -0.887 20 0 BBADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923521535 644482173 /nfs/dbraw/zinc/48/21/73/644482173.db2.gz NXLGWLZYLKVZBE-HBNTYKKESA-N 2 0 223.320 -0.242 20 0 BBADRP C([C@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522298 644486575 /nfs/dbraw/zinc/48/65/75/644486575.db2.gz RWUCXNHQPVVLDI-QJPTWQEYSA-N 2 0 225.336 -0.484 20 0 BBADRP C([C@@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522299 644487332 /nfs/dbraw/zinc/48/73/32/644487332.db2.gz RWUCXNHQPVVLDI-TUAOUCFPSA-N 2 0 225.336 -0.484 20 0 BBADRP NC(=O)C12CCC(CC1)[N@@H+]2CCOCC[NH3+] ZINC000923530991 644486679 /nfs/dbraw/zinc/48/66/79/644486679.db2.gz KMLDOEPTFWIBRY-UHFFFAOYSA-N 2 0 227.308 -0.556 20 0 BBADRP C[NH2+]CCCN1CC[C@@H](CS(N)(=O)=O)C1 ZINC000923531738 644489317 /nfs/dbraw/zinc/48/93/17/644489317.db2.gz UIFKFSDHTQXNQZ-SECBINFHSA-N 2 0 235.353 -0.794 20 0 BBADRP C[NH2+]CCCN1CC[C@H](CS(N)(=O)=O)C1 ZINC000923531739 644490260 /nfs/dbraw/zinc/49/02/60/644490260.db2.gz UIFKFSDHTQXNQZ-VIFPVBQESA-N 2 0 235.353 -0.794 20 0 BBADRP COC(=O)[C@]12C[C@H]1CCCN2CCOCC[NH3+] ZINC000923552313 644493751 /nfs/dbraw/zinc/49/37/51/644493751.db2.gz VGERNVKLRJWZMD-PWSUYJOCSA-N 2 0 242.319 -0.011 20 0 BBADRP [NH3+]CCN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000923560291 644499904 /nfs/dbraw/zinc/49/99/04/644499904.db2.gz RWLYEDKNYNTBMC-CHWSQXEVSA-N 2 0 235.331 -0.220 20 0 BBADRP O=S(=O)(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923563775 644503919 /nfs/dbraw/zinc/50/39/19/644503919.db2.gz XPJBCCHODONOJW-NXEZZACHSA-N 2 0 247.364 -0.590 20 0 BBADRP O=S(=O)(N[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923563776 644504502 /nfs/dbraw/zinc/50/45/02/644504502.db2.gz XPJBCCHODONOJW-UWVGGRQHSA-N 2 0 247.364 -0.590 20 0 BBADRP O=S(=O)(N[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923563778 644504443 /nfs/dbraw/zinc/50/44/43/644504443.db2.gz XPJBCCHODONOJW-VHSXEESVSA-N 2 0 247.364 -0.590 20 0 BBADRP O=S(=O)(N[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923563780 644505726 /nfs/dbraw/zinc/50/57/26/644505726.db2.gz XPJBCCHODONOJW-ZJUUUORDSA-N 2 0 247.364 -0.590 20 0 BBADRP C[NH2+]C[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923563876 644505165 /nfs/dbraw/zinc/50/51/65/644505165.db2.gz QOTVMPJNKSMDLM-SECBINFHSA-N 2 0 247.364 -0.781 20 0 BBADRP C[NH2+]C[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923563877 644504119 /nfs/dbraw/zinc/50/41/19/644504119.db2.gz QOTVMPJNKSMDLM-VIFPVBQESA-N 2 0 247.364 -0.781 20 0 BBADRP [NH3+][C@@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923564072 644505582 /nfs/dbraw/zinc/50/55/82/644505582.db2.gz SBWBRUKAMPIPEM-BDAKNGLRSA-N 2 0 233.337 -0.899 20 0 BBADRP [NH3+][C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923564073 644504764 /nfs/dbraw/zinc/50/47/64/644504764.db2.gz SBWBRUKAMPIPEM-RKDXNWHRSA-N 2 0 233.337 -0.899 20 0 BBADRP O=S(=O)(NC[C@H]1CCCC[NH2+]1)C1C[NH2+]C1 ZINC000923565035 644504335 /nfs/dbraw/zinc/50/43/35/644504335.db2.gz DRKJGVBZWXFWMB-MRVPVSSYSA-N 2 0 233.337 -0.980 20 0 BBADRP O=S(=O)(NC[C@@H]1CCCC[NH2+]1)C1C[NH2+]C1 ZINC000923565036 644504991 /nfs/dbraw/zinc/50/49/91/644504991.db2.gz DRKJGVBZWXFWMB-QMMMGPOBSA-N 2 0 233.337 -0.980 20 0 BBADRP C[C@@H](NS(=O)(=O)C1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923565730 644504514 /nfs/dbraw/zinc/50/45/14/644504514.db2.gz JQZJGIJVMBCBCC-BDAKNGLRSA-N 2 0 247.364 -0.734 20 0 BBADRP C[C@H](NS(=O)(=O)C1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923565735 644505142 /nfs/dbraw/zinc/50/51/42/644505142.db2.gz JQZJGIJVMBCBCC-DTWKUNHWSA-N 2 0 247.364 -0.734 20 0 BBADRP C[C@H](NS(=O)(=O)C1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923565739 644503935 /nfs/dbraw/zinc/50/39/35/644503935.db2.gz JQZJGIJVMBCBCC-IUCAKERBSA-N 2 0 247.364 -0.734 20 0 BBADRP C[C@@H](NS(=O)(=O)C1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923565742 644505137 /nfs/dbraw/zinc/50/51/37/644505137.db2.gz JQZJGIJVMBCBCC-RKDXNWHRSA-N 2 0 247.364 -0.734 20 0 BBADRP O=S(=O)(N[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923566110 644506273 /nfs/dbraw/zinc/50/62/73/644506273.db2.gz ITPKGOQRNPEGSK-BDAKNGLRSA-N 2 0 233.337 -0.980 20 0 BBADRP O=S(=O)(N[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923566112 644506165 /nfs/dbraw/zinc/50/61/65/644506165.db2.gz ITPKGOQRNPEGSK-DTWKUNHWSA-N 2 0 233.337 -0.980 20 0 BBADRP O=S(=O)(N[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923566113 644506195 /nfs/dbraw/zinc/50/61/95/644506195.db2.gz ITPKGOQRNPEGSK-IUCAKERBSA-N 2 0 233.337 -0.980 20 0 BBADRP O=S(=O)(N[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923566114 644506219 /nfs/dbraw/zinc/50/62/19/644506219.db2.gz ITPKGOQRNPEGSK-RKDXNWHRSA-N 2 0 233.337 -0.980 20 0 BBADRP CC[NH2+]CCCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923567575 644503962 /nfs/dbraw/zinc/50/39/62/644503962.db2.gz UWQCYLKILBYXFQ-JTQLQIEISA-N 2 0 249.380 -0.343 20 0 BBADRP CC[NH2+]CCCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923567576 644504584 /nfs/dbraw/zinc/50/45/84/644504584.db2.gz UWQCYLKILBYXFQ-SNVBAGLBSA-N 2 0 249.380 -0.343 20 0 BBADRP [NH3+][C@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923567611 644504702 /nfs/dbraw/zinc/50/47/02/644504702.db2.gz SBWBRUKAMPIPEM-DTWKUNHWSA-N 2 0 233.337 -0.899 20 0 BBADRP [NH3+][C@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923567615 644504141 /nfs/dbraw/zinc/50/41/41/644504141.db2.gz SBWBRUKAMPIPEM-IUCAKERBSA-N 2 0 233.337 -0.899 20 0 BBADRP [NH3+]C[C@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923567669 644505160 /nfs/dbraw/zinc/50/51/60/644505160.db2.gz SNMMKGOAQOOYPL-NXEZZACHSA-N 2 0 247.364 -0.651 20 0 BBADRP [NH3+]C[C@@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923567671 644504325 /nfs/dbraw/zinc/50/43/25/644504325.db2.gz SNMMKGOAQOOYPL-UWVGGRQHSA-N 2 0 247.364 -0.651 20 0 BBADRP [NH3+]C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923567672 644505000 /nfs/dbraw/zinc/50/50/00/644505000.db2.gz SNMMKGOAQOOYPL-VHSXEESVSA-N 2 0 247.364 -0.651 20 0 BBADRP [NH3+]C[C@H]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923567673 644505530 /nfs/dbraw/zinc/50/55/30/644505530.db2.gz SNMMKGOAQOOYPL-ZJUUUORDSA-N 2 0 247.364 -0.651 20 0 BBADRP [NH3+]C[C@H]1CCCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923567720 644503394 /nfs/dbraw/zinc/50/33/94/644503394.db2.gz UCOYNSOSADKMDJ-MRVPVSSYSA-N 2 0 233.337 -0.899 20 0 BBADRP [NH3+]C[C@@H]1CCCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923567721 644503062 /nfs/dbraw/zinc/50/30/62/644503062.db2.gz UCOYNSOSADKMDJ-QMMMGPOBSA-N 2 0 233.337 -0.899 20 0 BBADRP CC(C)C[C@H](C[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923567786 644511039 /nfs/dbraw/zinc/51/10/39/644511039.db2.gz DQELSUQPFXSEBN-MRVPVSSYSA-N 2 0 235.353 -0.749 20 0 BBADRP CC(C)C[C@@H](C[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923567787 644511110 /nfs/dbraw/zinc/51/11/10/644511110.db2.gz DQELSUQPFXSEBN-QMMMGPOBSA-N 2 0 235.353 -0.749 20 0 BBADRP C[NH2+]CC1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923568483 712341171 /nfs/dbraw/zinc/34/11/71/712341171.db2.gz FNGLHSWXXDORGL-UHFFFAOYSA-N 2 0 247.364 -0.781 20 0 BBADRP O=S(=O)(NC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000923569162 712341218 /nfs/dbraw/zinc/34/12/18/712341218.db2.gz AXWXPVCONCUTMY-NXEZZACHSA-N 2 0 247.364 -0.590 20 0 BBADRP O=S(=O)(NC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000923569163 712341197 /nfs/dbraw/zinc/34/11/97/712341197.db2.gz AXWXPVCONCUTMY-UWVGGRQHSA-N 2 0 247.364 -0.590 20 0 BBADRP O=S(=O)(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000923569164 712341104 /nfs/dbraw/zinc/34/11/04/712341104.db2.gz AXWXPVCONCUTMY-VHSXEESVSA-N 2 0 247.364 -0.590 20 0 BBADRP O=S(=O)(NC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000923569165 712341079 /nfs/dbraw/zinc/34/10/79/712341079.db2.gz AXWXPVCONCUTMY-ZJUUUORDSA-N 2 0 247.364 -0.590 20 0 BBADRP CC[NH2+]CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923570035 644507073 /nfs/dbraw/zinc/50/70/73/644507073.db2.gz GUNOSDGUAOCXTG-SECBINFHSA-N 2 0 235.353 -0.733 20 0 BBADRP CC[NH2+]CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923570036 644507235 /nfs/dbraw/zinc/50/72/35/644507235.db2.gz GUNOSDGUAOCXTG-VIFPVBQESA-N 2 0 235.353 -0.733 20 0 BBADRP C[C@@H]([NH3+])C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923570063 644506969 /nfs/dbraw/zinc/50/69/69/644506969.db2.gz HKMMIVLVMNFYIY-MRVPVSSYSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@H]([NH3+])C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923570064 644506916 /nfs/dbraw/zinc/50/69/16/644506916.db2.gz HKMMIVLVMNFYIY-QMMMGPOBSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@@H]([NH3+])CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923570123 644507571 /nfs/dbraw/zinc/50/75/71/644507571.db2.gz IOMZGTPXJIBLCO-BDAKNGLRSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@H]([NH3+])CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923570124 644507664 /nfs/dbraw/zinc/50/76/64/644507664.db2.gz IOMZGTPXJIBLCO-DTWKUNHWSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@H]([NH3+])CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923570125 644507121 /nfs/dbraw/zinc/50/71/21/644507121.db2.gz IOMZGTPXJIBLCO-IUCAKERBSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@@H]([NH3+])CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923570126 644506892 /nfs/dbraw/zinc/50/68/92/644506892.db2.gz IOMZGTPXJIBLCO-RKDXNWHRSA-N 2 0 235.353 -0.605 20 0 BBADRP CC(C)(C[NH3+])NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923570910 644508416 /nfs/dbraw/zinc/50/84/16/644508416.db2.gz OMLMXAYBYWLRDQ-MRVPVSSYSA-N 2 0 235.353 -0.605 20 0 BBADRP CC(C)(C[NH3+])NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923570911 644509005 /nfs/dbraw/zinc/50/90/05/644509005.db2.gz OMLMXAYBYWLRDQ-QMMMGPOBSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@H](C[NH3+])N(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923570997 644508580 /nfs/dbraw/zinc/50/85/80/644508580.db2.gz YNNBHVYCMJVQOG-BDAKNGLRSA-N 2 0 235.353 -0.653 20 0 BBADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923570998 644508745 /nfs/dbraw/zinc/50/87/45/644508745.db2.gz YNNBHVYCMJVQOG-DTWKUNHWSA-N 2 0 235.353 -0.653 20 0 BBADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923571000 644508509 /nfs/dbraw/zinc/50/85/09/644508509.db2.gz YNNBHVYCMJVQOG-IUCAKERBSA-N 2 0 235.353 -0.653 20 0 BBADRP CN([C@@H]1CC[NH2+]C1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923571001 644508968 /nfs/dbraw/zinc/50/89/68/644508968.db2.gz UZEHTWIXDUXUMU-NXEZZACHSA-N 2 0 247.364 -0.638 20 0 BBADRP C[C@H](C[NH3+])N(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923571002 644508766 /nfs/dbraw/zinc/50/87/66/644508766.db2.gz YNNBHVYCMJVQOG-RKDXNWHRSA-N 2 0 235.353 -0.653 20 0 BBADRP CN([C@H]1CC[NH2+]C1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923571004 644508193 /nfs/dbraw/zinc/50/81/93/644508193.db2.gz UZEHTWIXDUXUMU-UWVGGRQHSA-N 2 0 247.364 -0.638 20 0 BBADRP CN([C@H]1CC[NH2+]C1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923571005 644508720 /nfs/dbraw/zinc/50/87/20/644508720.db2.gz UZEHTWIXDUXUMU-VHSXEESVSA-N 2 0 247.364 -0.638 20 0 BBADRP CN([C@@H]1CC[NH2+]C1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923571007 644508543 /nfs/dbraw/zinc/50/85/43/644508543.db2.gz UZEHTWIXDUXUMU-ZJUUUORDSA-N 2 0 247.364 -0.638 20 0 BBADRP CC(C)[NH2+]CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923571258 644508404 /nfs/dbraw/zinc/50/84/04/644508404.db2.gz QCHQVUOZWDZZKA-UHFFFAOYSA-N 2 0 235.353 -0.734 20 0 BBADRP CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)C1C[NH2+]C1 ZINC000923571747 644508155 /nfs/dbraw/zinc/50/81/55/644508155.db2.gz ZQGAGGVZDJKBNM-SECBINFHSA-N 2 0 247.364 -0.638 20 0 BBADRP CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)C1C[NH2+]C1 ZINC000923571748 644508874 /nfs/dbraw/zinc/50/88/74/644508874.db2.gz ZQGAGGVZDJKBNM-VIFPVBQESA-N 2 0 247.364 -0.638 20 0 BBADRP CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923572038 644510265 /nfs/dbraw/zinc/51/02/65/644510265.db2.gz HLAPUOZNPASETK-JTQLQIEISA-N 2 0 249.380 -0.359 20 0 BBADRP CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923572039 644510043 /nfs/dbraw/zinc/51/00/43/644510043.db2.gz HLAPUOZNPASETK-SNVBAGLBSA-N 2 0 249.380 -0.359 20 0 BBADRP CC(C)[C@H]([NH3+])CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572101 644509802 /nfs/dbraw/zinc/50/98/02/644509802.db2.gz HWWNBPIFEQGDHB-NXEZZACHSA-N 2 0 249.380 -0.359 20 0 BBADRP CC(C)[C@@H]([NH3+])CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572103 644510191 /nfs/dbraw/zinc/51/01/91/644510191.db2.gz HWWNBPIFEQGDHB-UWVGGRQHSA-N 2 0 249.380 -0.359 20 0 BBADRP CC(C)[C@H]([NH3+])CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572105 644509744 /nfs/dbraw/zinc/50/97/44/644509744.db2.gz HWWNBPIFEQGDHB-VHSXEESVSA-N 2 0 249.380 -0.359 20 0 BBADRP CC(C)[C@@H]([NH3+])CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572106 644510057 /nfs/dbraw/zinc/51/00/57/644510057.db2.gz HWWNBPIFEQGDHB-ZJUUUORDSA-N 2 0 249.380 -0.359 20 0 BBADRP [NH3+]C[C@H]1CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572173 644510088 /nfs/dbraw/zinc/51/00/88/644510088.db2.gz ALRRRNZXFADQOU-NXEZZACHSA-N 2 0 247.364 -0.509 20 0 BBADRP [NH3+]C[C@@H]1CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572174 644510200 /nfs/dbraw/zinc/51/02/00/644510200.db2.gz ALRRRNZXFADQOU-UWVGGRQHSA-N 2 0 247.364 -0.509 20 0 BBADRP [NH3+]C[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572175 644509528 /nfs/dbraw/zinc/50/95/28/644509528.db2.gz ALRRRNZXFADQOU-VHSXEESVSA-N 2 0 247.364 -0.509 20 0 BBADRP [NH3+]C[C@H]1CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572176 644509808 /nfs/dbraw/zinc/50/98/08/644509808.db2.gz ALRRRNZXFADQOU-ZJUUUORDSA-N 2 0 247.364 -0.509 20 0 BBADRP O=S(=O)(NCC[NH2+]C1CC1)[C@H]1CCC[NH2+]C1 ZINC000923572291 644509830 /nfs/dbraw/zinc/50/98/30/644509830.db2.gz WUHWTYKDAQZCGP-JTQLQIEISA-N 2 0 247.364 -0.590 20 0 BBADRP O=S(=O)(NCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000923572293 644510179 /nfs/dbraw/zinc/51/01/79/644510179.db2.gz WUHWTYKDAQZCGP-SNVBAGLBSA-N 2 0 247.364 -0.590 20 0 BBADRP CN(CCC[NH3+])S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923572363 644510149 /nfs/dbraw/zinc/51/01/49/644510149.db2.gz ITZKHDNRXICPBA-SECBINFHSA-N 2 0 235.353 -0.651 20 0 BBADRP CN(CCC[NH3+])S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923572366 644509970 /nfs/dbraw/zinc/50/99/70/644509970.db2.gz ITZKHDNRXICPBA-VIFPVBQESA-N 2 0 235.353 -0.651 20 0 BBADRP [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923572472 644510470 /nfs/dbraw/zinc/51/04/70/644510470.db2.gz JOIZZNLCJHZWJC-APPZFPTMSA-N 2 0 233.337 -0.995 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923572478 644510456 /nfs/dbraw/zinc/51/04/56/644510456.db2.gz JOIZZNLCJHZWJC-CBAPKCEASA-N 2 0 233.337 -0.995 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923572481 644510113 /nfs/dbraw/zinc/51/01/13/644510113.db2.gz JOIZZNLCJHZWJC-IONNQARKSA-N 2 0 233.337 -0.995 20 0 BBADRP [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923572483 644509924 /nfs/dbraw/zinc/50/99/24/644509924.db2.gz JOIZZNLCJHZWJC-VXNVDRBHSA-N 2 0 233.337 -0.995 20 0 BBADRP [NH3+]C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000923572888 644509818 /nfs/dbraw/zinc/50/98/18/644509818.db2.gz LTKWLGQMTGFYRF-NXEZZACHSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+]C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000923572889 644510446 /nfs/dbraw/zinc/51/04/46/644510446.db2.gz LTKWLGQMTGFYRF-UWVGGRQHSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+]C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000923572890 644510377 /nfs/dbraw/zinc/51/03/77/644510377.db2.gz LTKWLGQMTGFYRF-VHSXEESVSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+]C[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000923572892 644509626 /nfs/dbraw/zinc/50/96/26/644509626.db2.gz LTKWLGQMTGFYRF-ZJUUUORDSA-N 2 0 247.364 -0.605 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923573015 644509886 /nfs/dbraw/zinc/50/98/86/644509886.db2.gz IRHYMZCRHRAIAQ-BDAKNGLRSA-N 2 0 245.348 -0.886 20 0 BBADRP CC(C)([NH3+])CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923573140 644509682 /nfs/dbraw/zinc/50/96/82/644509682.db2.gz JFQXMJYVUYGNEZ-MRVPVSSYSA-N 2 0 235.353 -0.605 20 0 BBADRP CC(C)([NH3+])CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923573142 644510330 /nfs/dbraw/zinc/51/03/30/644510330.db2.gz JFQXMJYVUYGNEZ-QMMMGPOBSA-N 2 0 235.353 -0.605 20 0 BBADRP CN(C1CCC([NH3+])CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923573284 644510268 /nfs/dbraw/zinc/51/02/68/644510268.db2.gz LJGIXKPNBLCGFT-UHFFFAOYSA-N 2 0 247.364 -0.510 20 0 BBADRP CN(CC(C)(C)C[NH3+])S(=O)(=O)C1C[NH2+]C1 ZINC000923574618 644513504 /nfs/dbraw/zinc/51/35/04/644513504.db2.gz VAHIMHXVBNGQTF-UHFFFAOYSA-N 2 0 235.353 -0.795 20 0 BBADRP C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923574666 644513836 /nfs/dbraw/zinc/51/38/36/644513836.db2.gz WISKAHXVHMXZJT-BDAKNGLRSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923574668 644513605 /nfs/dbraw/zinc/51/36/05/644513605.db2.gz WISKAHXVHMXZJT-DTWKUNHWSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923574670 644513111 /nfs/dbraw/zinc/51/31/11/644513111.db2.gz WISKAHXVHMXZJT-IUCAKERBSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923574671 644513724 /nfs/dbraw/zinc/51/37/24/644513724.db2.gz WISKAHXVHMXZJT-RKDXNWHRSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)[C@@H]1C[NH3+] ZINC000923574673 644513235 /nfs/dbraw/zinc/51/32/35/644513235.db2.gz WJADKEZUSBNSNR-PSASIEDQSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)[C@H]1C[NH3+] ZINC000923574675 644513786 /nfs/dbraw/zinc/51/37/86/644513786.db2.gz WJADKEZUSBNSNR-SCZZXKLOSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)[C@@H]1C[NH3+] ZINC000923574676 644513458 /nfs/dbraw/zinc/51/34/58/644513458.db2.gz WJADKEZUSBNSNR-WCBMZHEXSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)[C@H]1C[NH3+] ZINC000923574677 644513223 /nfs/dbraw/zinc/51/32/23/644513223.db2.gz WJADKEZUSBNSNR-WPRPVWTQSA-N 2 0 247.364 -0.653 20 0 BBADRP CCC([NH3+])(CC)CNS(=O)(=O)C1C[NH2+]C1 ZINC000923574983 644513741 /nfs/dbraw/zinc/51/37/41/644513741.db2.gz XIZMYYDLNDSEMD-UHFFFAOYSA-N 2 0 235.353 -0.605 20 0 BBADRP CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923577762 644512720 /nfs/dbraw/zinc/51/27/20/644512720.db2.gz VIHPBVIKAFNZSQ-JTQLQIEISA-N 2 0 249.380 -0.407 20 0 BBADRP CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923577763 644512018 /nfs/dbraw/zinc/51/20/18/644512018.db2.gz VIHPBVIKAFNZSQ-SNVBAGLBSA-N 2 0 249.380 -0.407 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923578026 644512074 /nfs/dbraw/zinc/51/20/74/644512074.db2.gz WMGJSBVEDQYXBQ-SECBINFHSA-N 2 0 245.348 -0.886 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923578027 644512765 /nfs/dbraw/zinc/51/27/65/644512765.db2.gz WMGJSBVEDQYXBQ-VIFPVBQESA-N 2 0 245.348 -0.886 20 0 BBADRP C[C@H](C[NH3+])NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923632304 645762164 /nfs/dbraw/zinc/76/21/64/645762164.db2.gz FJARTJOGEAHSMY-HTQZYQBOSA-N 2 0 221.326 -0.995 20 0 BBADRP C[C@H](C[NH3+])NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923632306 645762047 /nfs/dbraw/zinc/76/20/47/645762047.db2.gz FJARTJOGEAHSMY-SFYZADRCSA-N 2 0 221.326 -0.995 20 0 BBADRP C[C@@H](C[NH3+])NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923633203 712625375 /nfs/dbraw/zinc/62/53/75/712625375.db2.gz FJARTJOGEAHSMY-JGVFFNPUSA-N 2 0 221.326 -0.995 20 0 BBADRP C[C@@H](C[NH3+])NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923633204 712625369 /nfs/dbraw/zinc/62/53/69/712625369.db2.gz FJARTJOGEAHSMY-YUMQZZPRSA-N 2 0 221.326 -0.995 20 0 BBADRP [NH3+]C[C@H](NS(=O)(=O)C1C[NH2+]C1)C1CCCC1 ZINC000923634194 712625648 /nfs/dbraw/zinc/62/56/48/712625648.db2.gz CXRIXBCLXQVCDI-JTQLQIEISA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+]C[C@@H](NS(=O)(=O)C1C[NH2+]C1)C1CCCC1 ZINC000923634195 712625618 /nfs/dbraw/zinc/62/56/18/712625618.db2.gz CXRIXBCLXQVCDI-SNVBAGLBSA-N 2 0 247.364 -0.605 20 0 BBADRP CC(C)[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[NH2+]1 ZINC000923634522 712625627 /nfs/dbraw/zinc/62/56/27/712625627.db2.gz KOOVZMICULRMMU-SNVBAGLBSA-N 2 0 247.364 -0.782 20 0 BBADRP C[C@@H]([NH3+])CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923634856 645765036 /nfs/dbraw/zinc/76/50/36/645765036.db2.gz GLMFHSAEKDGCJY-HTQZYQBOSA-N 2 0 221.326 -0.995 20 0 BBADRP C[C@H]([NH3+])CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923634857 645765354 /nfs/dbraw/zinc/76/53/54/645765354.db2.gz GLMFHSAEKDGCJY-JGVFFNPUSA-N 2 0 221.326 -0.995 20 0 BBADRP C[C@@H]([NH3+])CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923634858 645765001 /nfs/dbraw/zinc/76/50/01/645765001.db2.gz GLMFHSAEKDGCJY-SFYZADRCSA-N 2 0 221.326 -0.995 20 0 BBADRP C[C@H]([NH3+])CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923634859 645765198 /nfs/dbraw/zinc/76/51/98/645765198.db2.gz GLMFHSAEKDGCJY-YUMQZZPRSA-N 2 0 221.326 -0.995 20 0 BBADRP [NH3+]C1(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000923635635 645766066 /nfs/dbraw/zinc/76/60/66/645766066.db2.gz OLWWCOUJLMNESN-SECBINFHSA-N 2 0 247.364 -0.461 20 0 BBADRP [NH3+]C1(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CCC1 ZINC000923635637 645766476 /nfs/dbraw/zinc/76/64/76/645766476.db2.gz OLWWCOUJLMNESN-VIFPVBQESA-N 2 0 247.364 -0.461 20 0 BBADRP [NH3+][C@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000923636123 645766309 /nfs/dbraw/zinc/76/63/09/645766309.db2.gz QCHHTUWPLWKPKU-NXEZZACHSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+][C@@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000923636125 645766485 /nfs/dbraw/zinc/76/64/85/645766485.db2.gz QCHHTUWPLWKPKU-UWVGGRQHSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+][C@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000923636127 645766007 /nfs/dbraw/zinc/76/60/07/645766007.db2.gz QCHHTUWPLWKPKU-VHSXEESVSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+][C@@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000923636129 645766300 /nfs/dbraw/zinc/76/63/00/645766300.db2.gz QCHHTUWPLWKPKU-ZJUUUORDSA-N 2 0 247.364 -0.605 20 0 BBADRP C[C@H](C[NH3+])CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923636245 645766457 /nfs/dbraw/zinc/76/64/57/645766457.db2.gz RKKRFWLCWNDOBD-BDAKNGLRSA-N 2 0 235.353 -0.747 20 0 BBADRP C[C@@H](C[NH3+])CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923636252 645766449 /nfs/dbraw/zinc/76/64/49/645766449.db2.gz RKKRFWLCWNDOBD-DTWKUNHWSA-N 2 0 235.353 -0.747 20 0 BBADRP C[C@@H](C[NH3+])CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923636254 645766048 /nfs/dbraw/zinc/76/60/48/645766048.db2.gz RKKRFWLCWNDOBD-IUCAKERBSA-N 2 0 235.353 -0.747 20 0 BBADRP C[C@H](C[NH3+])CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923636255 645766437 /nfs/dbraw/zinc/76/64/37/645766437.db2.gz RKKRFWLCWNDOBD-RKDXNWHRSA-N 2 0 235.353 -0.747 20 0 BBADRP CC1([NH3+])CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923636526 645766234 /nfs/dbraw/zinc/76/62/34/645766234.db2.gz ZSJWVZMOIVIVGJ-UHFFFAOYSA-N 2 0 233.337 -0.899 20 0 BBADRP C[C@@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)CC[NH2+]1 ZINC000923636983 645767016 /nfs/dbraw/zinc/76/70/16/645767016.db2.gz SVIMZXGNXBNBMB-HTQZYQBOSA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)CC[NH2+]1 ZINC000923636984 645766968 /nfs/dbraw/zinc/76/69/68/645766968.db2.gz SVIMZXGNXBNBMB-JGVFFNPUSA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)CC[NH2+]1 ZINC000923636985 645766861 /nfs/dbraw/zinc/76/68/61/645766861.db2.gz SVIMZXGNXBNBMB-SFYZADRCSA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)CC[NH2+]1 ZINC000923636986 645766934 /nfs/dbraw/zinc/76/69/34/645766934.db2.gz SVIMZXGNXBNBMB-YUMQZZPRSA-N 2 0 233.337 -0.982 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923637129 645766917 /nfs/dbraw/zinc/76/69/17/645766917.db2.gz UJUCMEPXLWBYNQ-HTQZYQBOSA-N 2 0 233.337 -0.853 20 0 BBADRP [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923637134 645766809 /nfs/dbraw/zinc/76/68/09/645766809.db2.gz UJUCMEPXLWBYNQ-JGVFFNPUSA-N 2 0 233.337 -0.853 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923637136 645767037 /nfs/dbraw/zinc/76/70/37/645767037.db2.gz UJUCMEPXLWBYNQ-SFYZADRCSA-N 2 0 233.337 -0.853 20 0 BBADRP [NH3+][C@H]1CCC[C@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923637138 645766987 /nfs/dbraw/zinc/76/69/87/645766987.db2.gz UJUCMEPXLWBYNQ-YUMQZZPRSA-N 2 0 233.337 -0.853 20 0 BBADRP CC[NH2+][C@H](C)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923637416 645772577 /nfs/dbraw/zinc/77/25/77/645772577.db2.gz ZENLAISMTHWCQW-NXEZZACHSA-N 2 0 249.380 -0.344 20 0 BBADRP CC[NH2+][C@H](C)CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923637417 645772733 /nfs/dbraw/zinc/77/27/33/645772733.db2.gz ZENLAISMTHWCQW-ZJUUUORDSA-N 2 0 249.380 -0.344 20 0 BBADRP CC[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@H]1[NH3+] ZINC000923637943 645774545 /nfs/dbraw/zinc/77/45/45/645774545.db2.gz XEHDVBXMHQVRND-PSASIEDQSA-N 2 0 247.364 -0.653 20 0 BBADRP CC[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000923637944 645774534 /nfs/dbraw/zinc/77/45/34/645774534.db2.gz XEHDVBXMHQVRND-SCZZXKLOSA-N 2 0 247.364 -0.653 20 0 BBADRP CC[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@H]1[NH3+] ZINC000923637945 645774656 /nfs/dbraw/zinc/77/46/56/645774656.db2.gz XEHDVBXMHQVRND-WCBMZHEXSA-N 2 0 247.364 -0.653 20 0 BBADRP CC[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000923637946 645774592 /nfs/dbraw/zinc/77/45/92/645774592.db2.gz XEHDVBXMHQVRND-WPRPVWTQSA-N 2 0 247.364 -0.653 20 0 BBADRP [NH3+]C1CC2(C1)CC(NS(=O)(=O)C1C[NH2+]C1)C2 ZINC000923637957 645774458 /nfs/dbraw/zinc/77/44/58/645774458.db2.gz XSIVJXAVSWQKSA-UHFFFAOYSA-N 2 0 245.348 -0.853 20 0 BBADRP C[C@H](CC[NH3+])NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923637964 645774714 /nfs/dbraw/zinc/77/47/14/645774714.db2.gz XXNZIEGWRRINSU-BDAKNGLRSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@@H](CC[NH3+])NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923637965 645774450 /nfs/dbraw/zinc/77/44/50/645774450.db2.gz XXNZIEGWRRINSU-DTWKUNHWSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@@H](CC[NH3+])NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923637966 645774392 /nfs/dbraw/zinc/77/43/92/645774392.db2.gz XXNZIEGWRRINSU-IUCAKERBSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@H](CC[NH3+])NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923637967 645774615 /nfs/dbraw/zinc/77/46/15/645774615.db2.gz XXNZIEGWRRINSU-RKDXNWHRSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000923637998 645774476 /nfs/dbraw/zinc/77/44/76/645774476.db2.gz YKWUJLXBDWMUNF-BBBLOLIVSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000923637999 645774641 /nfs/dbraw/zinc/77/46/41/645774641.db2.gz YKWUJLXBDWMUNF-KXUCPTDWSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000923638000 645774400 /nfs/dbraw/zinc/77/44/00/645774400.db2.gz YKWUJLXBDWMUNF-OPRDCNLKSA-N 2 0 247.364 -0.653 20 0 BBADRP C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000923638001 645774629 /nfs/dbraw/zinc/77/46/29/645774629.db2.gz YKWUJLXBDWMUNF-UTLUCORTSA-N 2 0 247.364 -0.653 20 0 BBADRP CC1(CNS(=O)(=O)C2C[NH2+]C2)CC[NH2+]CC1 ZINC000923638042 645775226 /nfs/dbraw/zinc/77/52/26/645775226.db2.gz AWMCTONKTZVRML-UHFFFAOYSA-N 2 0 247.364 -0.733 20 0 BBADRP [NH3+]CC1CC(NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923638128 645775164 /nfs/dbraw/zinc/77/51/64/645775164.db2.gz YRHAXOLEVLXHTP-RTBKNWGFSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+]CC1CC(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923638129 645775248 /nfs/dbraw/zinc/77/52/48/645775248.db2.gz YRHAXOLEVLXHTP-UDNWOFFPSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+][C@H]1C[C@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923638150 645775369 /nfs/dbraw/zinc/77/53/69/645775369.db2.gz ZCHCJOOLPBQKSK-CIUDSAMLSA-N 2 0 233.337 -0.853 20 0 BBADRP [NH3+][C@H]1C[C@@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923638151 645775202 /nfs/dbraw/zinc/77/52/02/645775202.db2.gz ZCHCJOOLPBQKSK-HRDYMLBCSA-N 2 0 233.337 -0.853 20 0 BBADRP [NH3+][C@H]1C[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923638152 645775151 /nfs/dbraw/zinc/77/51/51/645775151.db2.gz ZCHCJOOLPBQKSK-IWSPIJDZSA-N 2 0 233.337 -0.853 20 0 BBADRP [NH3+][C@H]1C[C@@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923638153 645775260 /nfs/dbraw/zinc/77/52/60/645775260.db2.gz ZCHCJOOLPBQKSK-YIZRAAEISA-N 2 0 233.337 -0.853 20 0 BBADRP O=S(=O)(N[C@@H]1CCC[NH2+]CC1)C1C[NH2+]C1 ZINC000923638277 645775171 /nfs/dbraw/zinc/77/51/71/645775171.db2.gz GPTZSMFVFDPUAV-MRVPVSSYSA-N 2 0 233.337 -0.980 20 0 BBADRP O=S(=O)(N[C@H]1CCC[NH2+]CC1)C1C[NH2+]C1 ZINC000923638278 645775403 /nfs/dbraw/zinc/77/54/03/645775403.db2.gz GPTZSMFVFDPUAV-QMMMGPOBSA-N 2 0 233.337 -0.980 20 0 BBADRP C[C@]1(CNS(=O)(=O)C2C[NH2+]C2)CCC[NH2+]C1 ZINC000923638595 645775143 /nfs/dbraw/zinc/77/51/43/645775143.db2.gz PQLNYWARBNLHSQ-JTQLQIEISA-N 2 0 247.364 -0.733 20 0 BBADRP C[C@@]1(CNS(=O)(=O)C2C[NH2+]C2)CCC[NH2+]C1 ZINC000923638596 645775190 /nfs/dbraw/zinc/77/51/90/645775190.db2.gz PQLNYWARBNLHSQ-SNVBAGLBSA-N 2 0 247.364 -0.733 20 0 BBADRP O=S(=O)(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923639119 645776056 /nfs/dbraw/zinc/77/60/56/645776056.db2.gz YYAVNQLGJYOONA-NXEZZACHSA-N 2 0 247.364 -0.733 20 0 BBADRP O=S(=O)(NC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923639120 645776027 /nfs/dbraw/zinc/77/60/27/645776027.db2.gz YYAVNQLGJYOONA-UWVGGRQHSA-N 2 0 247.364 -0.733 20 0 BBADRP O=S(=O)(NC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923639121 645776051 /nfs/dbraw/zinc/77/60/51/645776051.db2.gz YYAVNQLGJYOONA-VHSXEESVSA-N 2 0 247.364 -0.733 20 0 BBADRP O=S(=O)(NC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923639122 645776033 /nfs/dbraw/zinc/77/60/33/645776033.db2.gz YYAVNQLGJYOONA-ZJUUUORDSA-N 2 0 247.364 -0.733 20 0 BBADRP [NH3+]CC[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923639574 645776004 /nfs/dbraw/zinc/77/60/04/645776004.db2.gz QSOIPFAZLXFKHM-SECBINFHSA-N 2 0 247.364 -0.651 20 0 BBADRP [NH3+]CC[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923639575 645776059 /nfs/dbraw/zinc/77/60/59/645776059.db2.gz QSOIPFAZLXFKHM-VIFPVBQESA-N 2 0 247.364 -0.651 20 0 BBADRP C[NH2+][C@H](C)CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923639642 645775980 /nfs/dbraw/zinc/77/59/80/645775980.db2.gz SGUNPWOUDLIHTE-BDAKNGLRSA-N 2 0 235.353 -0.734 20 0 BBADRP C[NH2+][C@@H](C)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923639643 645776100 /nfs/dbraw/zinc/77/61/00/645776100.db2.gz SGUNPWOUDLIHTE-DTWKUNHWSA-N 2 0 235.353 -0.734 20 0 BBADRP C[NH2+][C@@H](C)CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923639644 645776091 /nfs/dbraw/zinc/77/60/91/645776091.db2.gz SGUNPWOUDLIHTE-IUCAKERBSA-N 2 0 235.353 -0.734 20 0 BBADRP C[NH2+][C@H](C)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923639645 645776017 /nfs/dbraw/zinc/77/60/17/645776017.db2.gz SGUNPWOUDLIHTE-RKDXNWHRSA-N 2 0 235.353 -0.734 20 0 BBADRP C[C@H](CCCC[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923639878 645779101 /nfs/dbraw/zinc/77/91/01/645779101.db2.gz DVAXLYIMUBNHBW-MRVPVSSYSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@@H](CCCC[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923639879 645778827 /nfs/dbraw/zinc/77/88/27/645778827.db2.gz DVAXLYIMUBNHBW-QMMMGPOBSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923640012 645777413 /nfs/dbraw/zinc/77/74/13/645777413.db2.gz WPFLDLNZVMDISW-APPZFPTMSA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923640013 645777003 /nfs/dbraw/zinc/77/70/03/645777003.db2.gz WPFLDLNZVMDISW-CBAPKCEASA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923640015 645777597 /nfs/dbraw/zinc/77/75/97/645777597.db2.gz WPFLDLNZVMDISW-IONNQARKSA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923640016 645777993 /nfs/dbraw/zinc/77/79/93/645777993.db2.gz WPFLDLNZVMDISW-VXNVDRBHSA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923640172 645778704 /nfs/dbraw/zinc/77/87/04/645778704.db2.gz IGEQTTWXBGOWSX-BBBLOLIVSA-N 2 0 247.364 -0.510 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923640173 645779133 /nfs/dbraw/zinc/77/91/33/645779133.db2.gz IGEQTTWXBGOWSX-KXUCPTDWSA-N 2 0 247.364 -0.510 20 0 BBADRP C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923640175 645778630 /nfs/dbraw/zinc/77/86/30/645778630.db2.gz IGEQTTWXBGOWSX-OPRDCNLKSA-N 2 0 247.364 -0.510 20 0 BBADRP C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923640177 645778984 /nfs/dbraw/zinc/77/89/84/645778984.db2.gz IGEQTTWXBGOWSX-UTLUCORTSA-N 2 0 247.364 -0.510 20 0 BBADRP CN(C1CC([NH3+])C1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923640302 645778491 /nfs/dbraw/zinc/77/84/91/645778491.db2.gz BRXKBKHHBJJZBM-RTBKNWGFSA-N 2 0 247.364 -0.510 20 0 BBADRP CN(C1CC([NH3+])C1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923640303 645778913 /nfs/dbraw/zinc/77/89/13/645778913.db2.gz BRXKBKHHBJJZBM-UDNWOFFPSA-N 2 0 247.364 -0.510 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923641006 645779817 /nfs/dbraw/zinc/77/98/17/645779817.db2.gz HYNZIPCFBNEVEP-CIUDSAMLSA-N 2 0 235.353 -0.607 20 0 BBADRP C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000923641007 645779569 /nfs/dbraw/zinc/77/95/69/645779569.db2.gz HYNZIPCFBNEVEP-DJLDLDEBSA-N 2 0 235.353 -0.607 20 0 BBADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923641008 645779917 /nfs/dbraw/zinc/77/99/17/645779917.db2.gz HYNZIPCFBNEVEP-XHNCKOQMSA-N 2 0 235.353 -0.607 20 0 BBADRP C[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000923641009 645779733 /nfs/dbraw/zinc/77/97/33/645779733.db2.gz HYNZIPCFBNEVEP-YIZRAAEISA-N 2 0 235.353 -0.607 20 0 BBADRP O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)C1C[NH2+]C1 ZINC000923641138 645780652 /nfs/dbraw/zinc/78/06/52/645780652.db2.gz QETBCPAFPREFPZ-SECBINFHSA-N 2 0 245.348 -0.980 20 0 BBADRP O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)C1C[NH2+]C1 ZINC000923641140 645780478 /nfs/dbraw/zinc/78/04/78/645780478.db2.gz QETBCPAFPREFPZ-VIFPVBQESA-N 2 0 245.348 -0.980 20 0 BBADRP O=S(=O)(NCCC[NH2+]C1CC1)C1C[NH2+]C1 ZINC000923641195 645780567 /nfs/dbraw/zinc/78/05/67/645780567.db2.gz KVBSTXNEQSQFDT-UHFFFAOYSA-N 2 0 233.337 -0.980 20 0 BBADRP CC[C@@H]([NH3+])CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923642152 645780599 /nfs/dbraw/zinc/78/05/99/645780599.db2.gz RBQPSGYFTCNGIX-BDAKNGLRSA-N 2 0 235.353 -0.605 20 0 BBADRP CC[C@H]([NH3+])CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923642153 645780385 /nfs/dbraw/zinc/78/03/85/645780385.db2.gz RBQPSGYFTCNGIX-DTWKUNHWSA-N 2 0 235.353 -0.605 20 0 BBADRP CC[C@H]([NH3+])CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923642154 645780449 /nfs/dbraw/zinc/78/04/49/645780449.db2.gz RBQPSGYFTCNGIX-IUCAKERBSA-N 2 0 235.353 -0.605 20 0 BBADRP CC[C@@H]([NH3+])CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923642155 645780576 /nfs/dbraw/zinc/78/05/76/645780576.db2.gz RBQPSGYFTCNGIX-RKDXNWHRSA-N 2 0 235.353 -0.605 20 0 BBADRP C[C@H](CCC[NH3+])NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923642424 645781072 /nfs/dbraw/zinc/78/10/72/645781072.db2.gz STAFCIVSXRZKTQ-NXEZZACHSA-N 2 0 249.380 -0.215 20 0 BBADRP C[C@@H](CCC[NH3+])NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923642425 645781119 /nfs/dbraw/zinc/78/11/19/645781119.db2.gz STAFCIVSXRZKTQ-UWVGGRQHSA-N 2 0 249.380 -0.215 20 0 BBADRP C[C@@H](CCC[NH3+])NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923642426 645781086 /nfs/dbraw/zinc/78/10/86/645781086.db2.gz STAFCIVSXRZKTQ-VHSXEESVSA-N 2 0 249.380 -0.215 20 0 BBADRP C[C@H](CCC[NH3+])NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923642428 645781113 /nfs/dbraw/zinc/78/11/13/645781113.db2.gz STAFCIVSXRZKTQ-ZJUUUORDSA-N 2 0 249.380 -0.215 20 0 BBADRP CC1(NS(=O)(=O)C2C[NH2+]C2)CC[NH2+]CC1 ZINC000923642525 645781096 /nfs/dbraw/zinc/78/10/96/645781096.db2.gz WINAANDGOSYANQ-UHFFFAOYSA-N 2 0 233.337 -0.980 20 0 BBADRP [NH3+]CC[C@H]1CCCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923642613 645782021 /nfs/dbraw/zinc/78/20/21/645782021.db2.gz FSPJDBYSHSVHPL-SECBINFHSA-N 2 0 247.364 -0.509 20 0 BBADRP [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923642614 645781861 /nfs/dbraw/zinc/78/18/61/645781861.db2.gz FSPJDBYSHSVHPL-VIFPVBQESA-N 2 0 247.364 -0.509 20 0 BBADRP C[C@H](CCC[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923643093 645782403 /nfs/dbraw/zinc/78/24/03/645782403.db2.gz ZPWLIDNNVFEMGF-SSDOTTSWSA-N 2 0 221.326 -0.995 20 0 BBADRP C[C@@H](CCC[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923643095 645782033 /nfs/dbraw/zinc/78/20/33/645782033.db2.gz ZPWLIDNNVFEMGF-ZETCQYMHSA-N 2 0 221.326 -0.995 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923644334 645783274 /nfs/dbraw/zinc/78/32/74/645783274.db2.gz IGEQTTWXBGOWSX-AEJSXWLSSA-N 2 0 247.364 -0.510 20 0 BBADRP C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923644336 645782931 /nfs/dbraw/zinc/78/29/31/645782931.db2.gz IGEQTTWXBGOWSX-GUBZILKMSA-N 2 0 247.364 -0.510 20 0 BBADRP CN(C1(C[NH3+])CCC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923644449 645782965 /nfs/dbraw/zinc/78/29/65/645782965.db2.gz GSSITUKCURPBLV-UHFFFAOYSA-N 2 0 233.337 -0.899 20 0 BBADRP CC(C)(CCC[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923644900 645783021 /nfs/dbraw/zinc/78/30/21/645783021.db2.gz MHSYQLHTURNJFV-UHFFFAOYSA-N 2 0 235.353 -0.605 20 0 BBADRP O=S(=O)(NCCC[C@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000923645072 645783290 /nfs/dbraw/zinc/78/32/90/645783290.db2.gz KCOIXJKJJSRAGX-SECBINFHSA-N 2 0 247.364 -0.590 20 0 BBADRP O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000923645073 645782952 /nfs/dbraw/zinc/78/29/52/645782952.db2.gz KCOIXJKJJSRAGX-VIFPVBQESA-N 2 0 247.364 -0.590 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923647138 645784667 /nfs/dbraw/zinc/78/46/67/645784667.db2.gz VLKTZXQRMVVCSQ-HTQZYQBOSA-N 2 0 233.337 -0.995 20 0 BBADRP [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923647139 645784860 /nfs/dbraw/zinc/78/48/60/645784860.db2.gz VLKTZXQRMVVCSQ-JGVFFNPUSA-N 2 0 233.337 -0.995 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923647141 645784291 /nfs/dbraw/zinc/78/42/91/645784291.db2.gz VLKTZXQRMVVCSQ-SFYZADRCSA-N 2 0 233.337 -0.995 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923647142 645784528 /nfs/dbraw/zinc/78/45/28/645784528.db2.gz VLKTZXQRMVVCSQ-YUMQZZPRSA-N 2 0 233.337 -0.995 20 0 BBADRP CC(C)(CC[NH3+])NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923647354 645784904 /nfs/dbraw/zinc/78/49/04/645784904.db2.gz CJFJQCRGFZGGOD-SECBINFHSA-N 2 0 249.380 -0.215 20 0 BBADRP CC(C)(CC[NH3+])NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923647357 645784760 /nfs/dbraw/zinc/78/47/60/645784760.db2.gz CJFJQCRGFZGGOD-VIFPVBQESA-N 2 0 249.380 -0.215 20 0 BBADRP C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000923648065 645784587 /nfs/dbraw/zinc/78/45/87/645784587.db2.gz PVFJHPZCWJAVPB-BDAKNGLRSA-N 2 0 247.364 -0.795 20 0 BBADRP C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000923648070 645784844 /nfs/dbraw/zinc/78/48/44/645784844.db2.gz PVFJHPZCWJAVPB-DTWKUNHWSA-N 2 0 247.364 -0.795 20 0 BBADRP C[C@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000923648074 645784810 /nfs/dbraw/zinc/78/48/10/645784810.db2.gz PVFJHPZCWJAVPB-IUCAKERBSA-N 2 0 247.364 -0.795 20 0 BBADRP C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000923648078 645784489 /nfs/dbraw/zinc/78/44/89/645784489.db2.gz PVFJHPZCWJAVPB-RKDXNWHRSA-N 2 0 247.364 -0.795 20 0 BBADRP CC(C)(CC[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923648732 645784519 /nfs/dbraw/zinc/78/45/19/645784519.db2.gz HZPRCTSETHCVPV-UHFFFAOYSA-N 2 0 221.326 -0.995 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000923648965 645784246 /nfs/dbraw/zinc/78/42/46/645784246.db2.gz KXBZCNCQTJKCEP-UHFFFAOYSA-N 2 0 245.348 -0.884 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923649369 645784717 /nfs/dbraw/zinc/78/47/17/645784717.db2.gz QYASYNCDHWZMSE-JTQLQIEISA-N 2 0 245.348 -0.884 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000923649370 645784755 /nfs/dbraw/zinc/78/47/55/645784755.db2.gz QYASYNCDHWZMSE-SNVBAGLBSA-N 2 0 245.348 -0.884 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923649730 645785680 /nfs/dbraw/zinc/78/56/80/645785680.db2.gz CIDGLVOYGOKJMK-RKDXNWHRSA-N 2 0 233.337 -0.853 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000923650459 645785826 /nfs/dbraw/zinc/78/58/26/645785826.db2.gz NMSROTVCLUTANA-BQBZGAKWSA-N 2 0 221.326 -0.997 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)C1C[NH2+]C1 ZINC000923650460 645785469 /nfs/dbraw/zinc/78/54/69/645785469.db2.gz NMSROTVCLUTANA-NKWVEPMBSA-N 2 0 221.326 -0.997 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000923650461 645785805 /nfs/dbraw/zinc/78/58/05/645785805.db2.gz NMSROTVCLUTANA-RNFRBKRXSA-N 2 0 221.326 -0.997 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)C1C[NH2+]C1 ZINC000923650462 645785914 /nfs/dbraw/zinc/78/59/14/645785914.db2.gz NMSROTVCLUTANA-RQJHMYQMSA-N 2 0 221.326 -0.997 20 0 BBADRP O=S(=O)(NCCC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000923651091 645785651 /nfs/dbraw/zinc/78/56/51/645785651.db2.gz CXZWEPMZSASNCX-UHFFFAOYSA-N 2 0 247.364 -0.733 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923651955 712629369 /nfs/dbraw/zinc/62/93/69/712629369.db2.gz JNCPFMVFSWVUJQ-HTQZYQBOSA-N 2 0 233.337 -0.900 20 0 BBADRP C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923651956 712629366 /nfs/dbraw/zinc/62/93/66/712629366.db2.gz JNCPFMVFSWVUJQ-JGVFFNPUSA-N 2 0 233.337 -0.900 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923651957 712629518 /nfs/dbraw/zinc/62/95/18/712629518.db2.gz JNCPFMVFSWVUJQ-SFYZADRCSA-N 2 0 233.337 -0.900 20 0 BBADRP C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923651958 712629520 /nfs/dbraw/zinc/62/95/20/712629520.db2.gz JNCPFMVFSWVUJQ-YUMQZZPRSA-N 2 0 233.337 -0.900 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923652023 712629522 /nfs/dbraw/zinc/62/95/22/712629522.db2.gz YVQYOYXKIGJBST-AEJSXWLSSA-N 2 0 249.380 -0.216 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923652024 712629516 /nfs/dbraw/zinc/62/95/16/712629516.db2.gz YVQYOYXKIGJBST-GUBZILKMSA-N 2 0 249.380 -0.216 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923652025 712629512 /nfs/dbraw/zinc/62/95/12/712629512.db2.gz YVQYOYXKIGJBST-IVZWLZJFSA-N 2 0 249.380 -0.216 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923652026 712629517 /nfs/dbraw/zinc/62/95/17/712629517.db2.gz YVQYOYXKIGJBST-LPEHRKFASA-N 2 0 249.380 -0.216 20 0 BBADRP [NH3+]C1(CNS(=O)(=O)C2C[NH2+]C2)CCCC1 ZINC000923654655 645787748 /nfs/dbraw/zinc/78/77/48/645787748.db2.gz IHMPOGJURCULQP-UHFFFAOYSA-N 2 0 233.337 -0.851 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923654850 645789990 /nfs/dbraw/zinc/78/99/90/645789990.db2.gz JMHKXDWECLTLSE-DTORHVGOSA-N 2 0 247.364 -0.782 20 0 BBADRP CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923657319 645793275 /nfs/dbraw/zinc/79/32/75/645793275.db2.gz YWYYKMBVEDBSBI-SECBINFHSA-N 2 0 247.364 -0.638 20 0 BBADRP CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923657321 645793637 /nfs/dbraw/zinc/79/36/37/645793637.db2.gz YWYYKMBVEDBSBI-VIFPVBQESA-N 2 0 247.364 -0.638 20 0 BBADRP C[C@@H]1CCN(S(=O)(=O)C2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000923657375 645793957 /nfs/dbraw/zinc/79/39/57/645793957.db2.gz ZZGNCXOKGGQRPV-BDAKNGLRSA-N 2 0 247.364 -0.653 20 0 BBADRP [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)C1C[NH2+]C1)C2 ZINC000923658471 645796352 /nfs/dbraw/zinc/79/63/52/645796352.db2.gz FZYLFHQHQQZDMQ-PSASIEDQSA-N 2 0 245.348 -0.899 20 0 BBADRP [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)C1C[NH2+]C1)C2 ZINC000923658472 645796810 /nfs/dbraw/zinc/79/68/10/645796810.db2.gz FZYLFHQHQQZDMQ-SCZZXKLOSA-N 2 0 245.348 -0.899 20 0 BBADRP [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)C1C[NH2+]C1)C2 ZINC000923658473 645797525 /nfs/dbraw/zinc/79/75/25/645797525.db2.gz FZYLFHQHQQZDMQ-WCBMZHEXSA-N 2 0 245.348 -0.899 20 0 BBADRP [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)C1C[NH2+]C1)C2 ZINC000923658474 645797257 /nfs/dbraw/zinc/79/72/57/645797257.db2.gz FZYLFHQHQQZDMQ-WPRPVWTQSA-N 2 0 245.348 -0.899 20 0 BBADRP CC(C)[C@H]([NH3+])CCNS(=O)(=O)C1C[NH2+]C1 ZINC000923658589 645797428 /nfs/dbraw/zinc/79/74/28/645797428.db2.gz NAECRQZROKTEFJ-SECBINFHSA-N 2 0 235.353 -0.749 20 0 BBADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923658692 645796768 /nfs/dbraw/zinc/79/67/68/645796768.db2.gz BMPVWLDEYMLKPI-JTQLQIEISA-N 2 0 247.364 -0.782 20 0 BBADRP CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923658694 645797276 /nfs/dbraw/zinc/79/72/76/645797276.db2.gz BMPVWLDEYMLKPI-SNVBAGLBSA-N 2 0 247.364 -0.782 20 0 BBADRP C[C@@]1(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000923658714 645797939 /nfs/dbraw/zinc/79/79/39/645797939.db2.gz ICWRMKKAMXXSFB-NXEZZACHSA-N 2 0 247.364 -0.590 20 0 BBADRP C[C@]1(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000923658716 645798032 /nfs/dbraw/zinc/79/80/32/645798032.db2.gz ICWRMKKAMXXSFB-UWVGGRQHSA-N 2 0 247.364 -0.590 20 0 BBADRP C[C@@]1(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000923658718 645798035 /nfs/dbraw/zinc/79/80/35/645798035.db2.gz ICWRMKKAMXXSFB-VHSXEESVSA-N 2 0 247.364 -0.590 20 0 BBADRP C[C@]1(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000923658719 645797948 /nfs/dbraw/zinc/79/79/48/645797948.db2.gz ICWRMKKAMXXSFB-ZJUUUORDSA-N 2 0 247.364 -0.590 20 0 BBADRP CCN(CC[NH3+])S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923658789 645797878 /nfs/dbraw/zinc/79/78/78/645797878.db2.gz DADVQIWIKZAHDW-SECBINFHSA-N 2 0 235.353 -0.651 20 0 BBADRP CCN(CC[NH3+])S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923658790 645797863 /nfs/dbraw/zinc/79/78/63/645797863.db2.gz DADVQIWIKZAHDW-VIFPVBQESA-N 2 0 235.353 -0.651 20 0 BBADRP C[NH2+]C[C@@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923659330 645797366 /nfs/dbraw/zinc/79/73/66/645797366.db2.gz MNFVRQFKZBTOGU-BDAKNGLRSA-N 2 0 235.353 -0.734 20 0 BBADRP C[NH2+]C[C@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923659331 645796955 /nfs/dbraw/zinc/79/69/55/645796955.db2.gz MNFVRQFKZBTOGU-DTWKUNHWSA-N 2 0 235.353 -0.734 20 0 BBADRP C[NH2+]C[C@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923659332 645796622 /nfs/dbraw/zinc/79/66/22/645796622.db2.gz MNFVRQFKZBTOGU-IUCAKERBSA-N 2 0 235.353 -0.734 20 0 BBADRP C[NH2+]C[C@@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923659333 645797090 /nfs/dbraw/zinc/79/70/90/645797090.db2.gz MNFVRQFKZBTOGU-RKDXNWHRSA-N 2 0 235.353 -0.734 20 0 BBADRP O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)C1C[NH2+]C1 ZINC000923659821 645799411 /nfs/dbraw/zinc/79/94/11/645799411.db2.gz OOGSBKMARRKPKR-SECBINFHSA-N 2 0 245.348 -0.838 20 0 BBADRP O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)C1C[NH2+]C1 ZINC000923659829 645799038 /nfs/dbraw/zinc/79/90/38/645799038.db2.gz OOGSBKMARRKPKR-VIFPVBQESA-N 2 0 245.348 -0.838 20 0 BBADRP C[C@@H]1CC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C[NH2+]1 ZINC000923662007 645807865 /nfs/dbraw/zinc/80/78/65/645807865.db2.gz IWPVZFPRGLBGEO-HTQZYQBOSA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@H]1CC[C@@H](NS(=O)(=O)C2C[NH2+]C2)C[NH2+]1 ZINC000923662008 645807797 /nfs/dbraw/zinc/80/77/97/645807797.db2.gz IWPVZFPRGLBGEO-JGVFFNPUSA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@@H]1CC[C@H](NS(=O)(=O)C2C[NH2+]C2)C[NH2+]1 ZINC000923662009 645807915 /nfs/dbraw/zinc/80/79/15/645807915.db2.gz IWPVZFPRGLBGEO-SFYZADRCSA-N 2 0 233.337 -0.982 20 0 BBADRP C[C@H]1CC[C@H](NS(=O)(=O)C2C[NH2+]C2)C[NH2+]1 ZINC000923662010 645807947 /nfs/dbraw/zinc/80/79/47/645807947.db2.gz IWPVZFPRGLBGEO-YUMQZZPRSA-N 2 0 233.337 -0.982 20 0 BBADRP [NH3+][C@@H]1CCCCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923662110 645807954 /nfs/dbraw/zinc/80/79/54/645807954.db2.gz MCJJGAQIDRUFOP-SECBINFHSA-N 2 0 247.364 -0.509 20 0 BBADRP [NH3+][C@H]1CCCCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000923662111 645807746 /nfs/dbraw/zinc/80/77/46/645807746.db2.gz MCJJGAQIDRUFOP-VIFPVBQESA-N 2 0 247.364 -0.509 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923662638 645808317 /nfs/dbraw/zinc/80/83/17/645808317.db2.gz GKALKVDYDFJCIA-IVZWLZJFSA-N 2 0 247.364 -0.592 20 0 BBADRP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923662639 645808323 /nfs/dbraw/zinc/80/83/23/645808323.db2.gz GKALKVDYDFJCIA-LPEHRKFASA-N 2 0 247.364 -0.592 20 0 BBADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923663023 645808814 /nfs/dbraw/zinc/80/88/14/645808814.db2.gz IICQJMROYZUOGU-BDAKNGLRSA-N 2 0 235.353 -0.653 20 0 BBADRP C[C@H]([NH3+])CN(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923663024 645808821 /nfs/dbraw/zinc/80/88/21/645808821.db2.gz IICQJMROYZUOGU-DTWKUNHWSA-N 2 0 235.353 -0.653 20 0 BBADRP C[C@H]([NH3+])CN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923663025 645808918 /nfs/dbraw/zinc/80/89/18/645808918.db2.gz IICQJMROYZUOGU-IUCAKERBSA-N 2 0 235.353 -0.653 20 0 BBADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923663026 645808881 /nfs/dbraw/zinc/80/88/81/645808881.db2.gz IICQJMROYZUOGU-RKDXNWHRSA-N 2 0 235.353 -0.653 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)C1C[NH2+]C1 ZINC000923663595 645809941 /nfs/dbraw/zinc/80/99/41/645809941.db2.gz YGKRPABZLJIGLR-DTWKUNHWSA-N 2 0 233.337 -0.982 20 0 BBADRP [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923665528 645809579 /nfs/dbraw/zinc/80/95/79/645809579.db2.gz BENYNADHGLNASS-KYZUINATSA-N 2 0 247.364 -0.605 20 0 BBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000923665726 645809590 /nfs/dbraw/zinc/80/95/90/645809590.db2.gz KFUAZQYVNUYHMG-GUBZILKMSA-N 2 0 245.348 -0.886 20 0 BBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000923665727 645809847 /nfs/dbraw/zinc/80/98/47/645809847.db2.gz KFUAZQYVNUYHMG-LPEHRKFASA-N 2 0 245.348 -0.886 20 0 BBADRP [NH3+]CC1(NS(=O)(=O)C2C[NH2+]C2)CCCCC1 ZINC000923665957 645809665 /nfs/dbraw/zinc/80/96/65/645809665.db2.gz CYXJRZXTGPEDJZ-UHFFFAOYSA-N 2 0 247.364 -0.461 20 0 BBADRP [NH3+]CC12CCC(CC1)N2S(=O)(=O)C1C[NH2+]C1 ZINC000923667667 645810517 /nfs/dbraw/zinc/81/05/17/645810517.db2.gz OVBTZAPMGBAFBA-UHFFFAOYSA-N 2 0 245.348 -0.756 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923667865 645810579 /nfs/dbraw/zinc/81/05/79/645810579.db2.gz XHXKSSJNHMDKJM-AEJSXWLSSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+][C@H]1C[C@H](CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923667866 645810738 /nfs/dbraw/zinc/81/07/38/645810738.db2.gz XHXKSSJNHMDKJM-GUBZILKMSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+][C@H]1C[C@@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923667867 645810944 /nfs/dbraw/zinc/81/09/44/645810944.db2.gz XHXKSSJNHMDKJM-KXUCPTDWSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+][C@H]1C[C@H](CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923667868 645810606 /nfs/dbraw/zinc/81/06/06/645810606.db2.gz XHXKSSJNHMDKJM-OPRDCNLKSA-N 2 0 247.364 -0.605 20 0 BBADRP C[C@@H](NS(=O)(=O)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000923668522 712631818 /nfs/dbraw/zinc/63/18/18/712631818.db2.gz HGDPGOLIGVILCC-MRVPVSSYSA-N 2 0 247.364 -0.734 20 0 BBADRP C[C@H](NS(=O)(=O)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000923668523 712631825 /nfs/dbraw/zinc/63/18/25/712631825.db2.gz HGDPGOLIGVILCC-QMMMGPOBSA-N 2 0 247.364 -0.734 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923668709 712631820 /nfs/dbraw/zinc/63/18/20/712631820.db2.gz YIUVJKSGMXNZFQ-BBBLOLIVSA-N 2 0 247.364 -0.510 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923668710 712631836 /nfs/dbraw/zinc/63/18/36/712631836.db2.gz YIUVJKSGMXNZFQ-KXUCPTDWSA-N 2 0 247.364 -0.510 20 0 BBADRP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923668711 712631858 /nfs/dbraw/zinc/63/18/58/712631858.db2.gz YIUVJKSGMXNZFQ-OPRDCNLKSA-N 2 0 247.364 -0.510 20 0 BBADRP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923668712 712631833 /nfs/dbraw/zinc/63/18/33/712631833.db2.gz YIUVJKSGMXNZFQ-UTLUCORTSA-N 2 0 247.364 -0.510 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923670926 645811887 /nfs/dbraw/zinc/81/18/87/645811887.db2.gz COWWAHMHMWYUSE-NXEZZACHSA-N 2 0 245.348 -0.886 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923670927 645811979 /nfs/dbraw/zinc/81/19/79/645811979.db2.gz COWWAHMHMWYUSE-UWVGGRQHSA-N 2 0 245.348 -0.886 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923670928 645811907 /nfs/dbraw/zinc/81/19/07/645811907.db2.gz COWWAHMHMWYUSE-VHSXEESVSA-N 2 0 245.348 -0.886 20 0 BBADRP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923670929 645812138 /nfs/dbraw/zinc/81/21/38/645812138.db2.gz COWWAHMHMWYUSE-ZJUUUORDSA-N 2 0 245.348 -0.886 20 0 BBADRP O=S(=O)(N[C@@]12CCC[C@H]1[NH2+]CC2)C1C[NH2+]C1 ZINC000923671475 645813510 /nfs/dbraw/zinc/81/35/10/645813510.db2.gz QOHGRPAQHNYTNG-NXEZZACHSA-N 2 0 245.348 -0.838 20 0 BBADRP O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)C1C[NH2+]C1 ZINC000923671478 645813044 /nfs/dbraw/zinc/81/30/44/645813044.db2.gz QOHGRPAQHNYTNG-UWVGGRQHSA-N 2 0 245.348 -0.838 20 0 BBADRP O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)C1C[NH2+]C1 ZINC000923671481 645812913 /nfs/dbraw/zinc/81/29/13/645812913.db2.gz QOHGRPAQHNYTNG-VHSXEESVSA-N 2 0 245.348 -0.838 20 0 BBADRP O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)C1C[NH2+]C1 ZINC000923671484 645814102 /nfs/dbraw/zinc/81/41/02/645814102.db2.gz QOHGRPAQHNYTNG-ZJUUUORDSA-N 2 0 245.348 -0.838 20 0 BBADRP CN(CCCCCC[NH3+])S(=O)(=O)C1C[NH2+]C1 ZINC000923671950 645813721 /nfs/dbraw/zinc/81/37/21/645813721.db2.gz NLWDCKVGCIDTKT-UHFFFAOYSA-N 2 0 249.380 -0.261 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)C1C[NH2+]C1 ZINC000923672263 645812561 /nfs/dbraw/zinc/81/25/61/645812561.db2.gz COFULVJJRILIJU-RKDXNWHRSA-N 2 0 247.364 -0.877 20 0 BBADRP [NH3+]C1CC(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923672718 645813138 /nfs/dbraw/zinc/81/31/38/645813138.db2.gz XHXKSSJNHMDKJM-RTBKNWGFSA-N 2 0 247.364 -0.605 20 0 BBADRP [NH3+]C1CC(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923672719 645814427 /nfs/dbraw/zinc/81/44/27/645814427.db2.gz XHXKSSJNHMDKJM-UDNWOFFPSA-N 2 0 247.364 -0.605 20 0 BBADRP C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1CC[NH3+] ZINC000923672828 645813386 /nfs/dbraw/zinc/81/33/86/645813386.db2.gz GVQJTXIFJSWJRW-RKDXNWHRSA-N 2 0 247.364 -0.795 20 0 BBADRP CCC1([NH3+])CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923673989 645817867 /nfs/dbraw/zinc/81/78/67/645817867.db2.gz JIJHOUPDVJCKJP-UHFFFAOYSA-N 2 0 247.364 -0.509 20 0 BBADRP C[NH2+]C[C@H]1CCCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923674047 645817164 /nfs/dbraw/zinc/81/71/64/645817164.db2.gz KMNJUVQDZRMRRU-SECBINFHSA-N 2 0 247.364 -0.638 20 0 BBADRP Nc1cc[nH+]c(CNS(=O)(=O)C2C[NH2+]C2)c1 ZINC000923674158 645817795 /nfs/dbraw/zinc/81/77/95/645817795.db2.gz NSEKJQJOPMYZCN-UHFFFAOYSA-N 2 0 242.304 -0.945 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923674923 645816603 /nfs/dbraw/zinc/81/66/03/645816603.db2.gz WAGLNSQDIRDIRA-KXUCPTDWSA-N 2 0 247.364 -0.734 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923674926 645818155 /nfs/dbraw/zinc/81/81/55/645818155.db2.gz WAGLNSQDIRDIRA-OPRDCNLKSA-N 2 0 247.364 -0.734 20 0 BBADRP CC(C)([NH3+])CCNS(=O)(=O)C1C[NH2+]C1 ZINC000923674945 645817807 /nfs/dbraw/zinc/81/78/07/645817807.db2.gz PUVLNVHJRZMCNW-UHFFFAOYSA-N 2 0 221.326 -0.995 20 0 BBADRP CC(C)([NH3+])CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923675616 645818023 /nfs/dbraw/zinc/81/80/23/645818023.db2.gz XDKYJBVNEVVODG-SECBINFHSA-N 2 0 249.380 -0.215 20 0 BBADRP CC(C)([NH3+])CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923675618 645817594 /nfs/dbraw/zinc/81/75/94/645817594.db2.gz XDKYJBVNEVVODG-VIFPVBQESA-N 2 0 249.380 -0.215 20 0 BBADRP C[NH2+]CCN(C(C)C)S(=O)(=O)C1C[NH2+]C1 ZINC000923675975 645816591 /nfs/dbraw/zinc/81/65/91/645816591.db2.gz CUOYBPOWFMAQFV-UHFFFAOYSA-N 2 0 235.353 -0.782 20 0 BBADRP C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923677577 645821202 /nfs/dbraw/zinc/82/12/02/645821202.db2.gz KMNJUVQDZRMRRU-VIFPVBQESA-N 2 0 247.364 -0.638 20 0 BBADRP [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923741679 637037107 /nfs/dbraw/zinc/03/71/07/637037107.db2.gz YZVKKVMUIVCZNR-JGVFFNPUSA-N 2 0 233.337 -0.995 20 0 BBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCCO ZINC000924573431 632935822 /nfs/dbraw/zinc/93/58/22/632935822.db2.gz ZDGBMTPUFJMECO-FOSCPWQOSA-N 2 0 228.336 -0.075 20 0 BBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000924986552 646149768 /nfs/dbraw/zinc/14/97/68/646149768.db2.gz JDOJKMJQEINEBN-GHMZBOCLSA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000924986553 646150388 /nfs/dbraw/zinc/15/03/88/646150388.db2.gz JDOJKMJQEINEBN-MNOVXSKESA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000924986554 646150763 /nfs/dbraw/zinc/15/07/63/646150763.db2.gz JDOJKMJQEINEBN-QWRGUYRKSA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000924986555 646149374 /nfs/dbraw/zinc/14/93/74/646149374.db2.gz JDOJKMJQEINEBN-WDEREUQCSA-N 2 0 241.335 -0.737 20 0 BBADRP CC[C@@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C)[NH+](C)C ZINC000924989278 646151553 /nfs/dbraw/zinc/15/15/53/646151553.db2.gz DOGHPGATOJLBJH-AXFHLTTASA-N 2 0 243.351 -0.492 20 0 BBADRP CC[C@@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C)[NH+](C)C ZINC000924989280 646153106 /nfs/dbraw/zinc/15/31/06/646153106.db2.gz DOGHPGATOJLBJH-DCAQKATOSA-N 2 0 243.351 -0.492 20 0 BBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C)[NH+](C)C ZINC000924989283 646152694 /nfs/dbraw/zinc/15/26/94/646152694.db2.gz DOGHPGATOJLBJH-MXWKQRLJSA-N 2 0 243.351 -0.492 20 0 BBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C)[NH+](C)C ZINC000924989285 646151794 /nfs/dbraw/zinc/15/17/94/646151794.db2.gz DOGHPGATOJLBJH-VWYCJHECSA-N 2 0 243.351 -0.492 20 0 BBADRP C[N@H+](CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000924998409 646155040 /nfs/dbraw/zinc/15/50/40/646155040.db2.gz CFMLATHKEDQXEM-UHFFFAOYSA-N 2 0 241.335 -0.878 20 0 BBADRP C[NH+](C)C1(C(=O)NCC[N@H+](C)CCO)CCC1 ZINC000924999813 635837531 /nfs/dbraw/zinc/83/75/31/635837531.db2.gz ODVAFMJFSGMUJK-UHFFFAOYSA-N 2 0 243.351 -0.489 20 0 BBADRP C[N@H+](CCO)CCNC(=O)C[NH+]1CCCC1 ZINC000925004177 635840749 /nfs/dbraw/zinc/84/07/49/635840749.db2.gz ZIQUMDRNHAKEHI-UHFFFAOYSA-N 2 0 229.324 -0.878 20 0 BBADRP Cc1nccn1CC(=O)NCC[N@H+](C)CCO ZINC000925006413 646156964 /nfs/dbraw/zinc/15/69/64/646156964.db2.gz YSWRIXVMOYWFIA-UHFFFAOYSA-N 2 0 240.307 -0.768 20 0 BBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000925198079 636377866 /nfs/dbraw/zinc/37/78/66/636377866.db2.gz YGFXFSOCQQEOTA-BDAKNGLRSA-N 2 0 240.307 -0.828 20 0 BBADRP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000925198080 636377368 /nfs/dbraw/zinc/37/73/68/636377368.db2.gz YGFXFSOCQQEOTA-DTWKUNHWSA-N 2 0 240.307 -0.828 20 0 BBADRP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000925198081 636378405 /nfs/dbraw/zinc/37/84/05/636378405.db2.gz YGFXFSOCQQEOTA-IUCAKERBSA-N 2 0 240.307 -0.828 20 0 BBADRP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000925198082 636378628 /nfs/dbraw/zinc/37/86/28/636378628.db2.gz YGFXFSOCQQEOTA-RKDXNWHRSA-N 2 0 240.307 -0.828 20 0 BBADRP C[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[NH+](C)C ZINC000925314383 636820073 /nfs/dbraw/zinc/82/00/73/636820073.db2.gz FDMWSYLBHLPTMD-DTWKUNHWSA-N 2 0 242.323 -0.582 20 0 BBADRP C[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[NH+](C)C ZINC000925314386 636820393 /nfs/dbraw/zinc/82/03/93/636820393.db2.gz FDMWSYLBHLPTMD-IUCAKERBSA-N 2 0 242.323 -0.582 20 0 BBADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000925406770 641637052 /nfs/dbraw/zinc/63/70/52/641637052.db2.gz AFNOBUNFLQLTHA-JTQLQIEISA-N 2 0 226.324 -0.305 20 0 BBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000925406772 641636448 /nfs/dbraw/zinc/63/64/48/641636448.db2.gz AFNOBUNFLQLTHA-SNVBAGLBSA-N 2 0 226.324 -0.305 20 0 BBADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925411954 646269105 /nfs/dbraw/zinc/26/91/05/646269105.db2.gz SAJBECKCVAYKLI-JTQLQIEISA-N 2 0 228.340 -0.107 20 0 BBADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925411955 646266002 /nfs/dbraw/zinc/26/60/02/646266002.db2.gz SAJBECKCVAYKLI-SNVBAGLBSA-N 2 0 228.340 -0.107 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925415958 646266846 /nfs/dbraw/zinc/26/68/46/646266846.db2.gz BGCNIFCTKLZSPP-SECBINFHSA-N 2 0 214.313 -0.449 20 0 BBADRP C[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925415960 646267067 /nfs/dbraw/zinc/26/70/67/646267067.db2.gz BGCNIFCTKLZSPP-VIFPVBQESA-N 2 0 214.313 -0.449 20 0 BBADRP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925433096 641999737 /nfs/dbraw/zinc/99/97/37/641999737.db2.gz BPHMEDVJYCTDQD-LLVKDONJSA-N 2 0 240.351 -0.107 20 0 BBADRP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925433101 642000200 /nfs/dbraw/zinc/00/02/00/642000200.db2.gz BPHMEDVJYCTDQD-NSHDSACASA-N 2 0 240.351 -0.107 20 0 BBADRP CC[N@@H+]1CC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925476548 646290509 /nfs/dbraw/zinc/29/05/09/646290509.db2.gz PBFORJJCDQVQSH-NEPJUHHUSA-N 2 0 227.352 -0.094 20 0 BBADRP CC[N@@H+]1CC[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925476550 646289861 /nfs/dbraw/zinc/28/98/61/646289861.db2.gz PBFORJJCDQVQSH-NWDGAFQWSA-N 2 0 227.352 -0.094 20 0 BBADRP CC[N@@H+]1CC[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925476551 646290345 /nfs/dbraw/zinc/29/03/45/646290345.db2.gz PBFORJJCDQVQSH-RYUDHWBXSA-N 2 0 227.352 -0.094 20 0 BBADRP CC[N@@H+]1CC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925476553 646289219 /nfs/dbraw/zinc/28/92/19/646289219.db2.gz PBFORJJCDQVQSH-VXGBXAGGSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH+]1CCC(C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925491318 646299618 /nfs/dbraw/zinc/29/96/18/646299618.db2.gz DVZMDBAIOOHRON-GFCCVEGCSA-N 2 0 227.352 -0.094 20 0 BBADRP C[NH+]1CCC(C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925491322 646299110 /nfs/dbraw/zinc/29/91/10/646299110.db2.gz DVZMDBAIOOHRON-LBPRGKRZSA-N 2 0 227.352 -0.094 20 0 BBADRP C[C@H](CN[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000925494532 646302147 /nfs/dbraw/zinc/30/21/47/646302147.db2.gz KKCMQEMGQJRQKF-NXEZZACHSA-N 2 0 201.314 -0.486 20 0 BBADRP C[C@@H](CN[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000925494533 646300886 /nfs/dbraw/zinc/30/08/86/646300886.db2.gz KKCMQEMGQJRQKF-UWVGGRQHSA-N 2 0 201.314 -0.486 20 0 BBADRP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000925494534 646301260 /nfs/dbraw/zinc/30/12/60/646301260.db2.gz KKCMQEMGQJRQKF-VHSXEESVSA-N 2 0 201.314 -0.486 20 0 BBADRP C[C@H](CN[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000925494535 646301823 /nfs/dbraw/zinc/30/18/23/646301823.db2.gz KKCMQEMGQJRQKF-ZJUUUORDSA-N 2 0 201.314 -0.486 20 0 BBADRP C[NH+](C)CCCN[C@H]1C[NH2+]CCOC1 ZINC000925500464 645942991 /nfs/dbraw/zinc/94/29/91/645942991.db2.gz CHLZCXQOWXBVFB-JTQLQIEISA-N 2 0 201.314 -0.484 20 0 BBADRP CC[NH+](CC)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925501602 633822823 /nfs/dbraw/zinc/82/28/23/633822823.db2.gz IQZOLHDVGDCOOU-LLVKDONJSA-N 2 0 215.341 -0.094 20 0 BBADRP CC[NH+](CC)CCN[C@H]1C[NH2+]CCOC1 ZINC000925501631 633823417 /nfs/dbraw/zinc/82/34/17/633823417.db2.gz IQZOLHDVGDCOOU-NSHDSACASA-N 2 0 215.341 -0.094 20 0 BBADRP C(C[NH+]1CCCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925508501 646309368 /nfs/dbraw/zinc/30/93/68/646309368.db2.gz HBZIITMVJDJBRP-LLVKDONJSA-N 2 0 213.325 -0.340 20 0 BBADRP C(C[NH+]1CCCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925508502 646308792 /nfs/dbraw/zinc/30/87/92/646308792.db2.gz HBZIITMVJDJBRP-NSHDSACASA-N 2 0 213.325 -0.340 20 0 BBADRP C[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925511180 646307567 /nfs/dbraw/zinc/30/75/67/646307567.db2.gz IDPSXXNLTSQGHX-LLVKDONJSA-N 2 0 213.325 -0.341 20 0 BBADRP C[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925511181 646308721 /nfs/dbraw/zinc/30/87/21/646308721.db2.gz IDPSXXNLTSQGHX-NSHDSACASA-N 2 0 213.325 -0.341 20 0 BBADRP COCCC[N@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925513794 633855638 /nfs/dbraw/zinc/85/56/38/633855638.db2.gz BJZHZJBSCNSDLO-GFCCVEGCSA-N 2 0 245.367 -0.467 20 0 BBADRP COCCC[N@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925513796 633855410 /nfs/dbraw/zinc/85/54/10/633855410.db2.gz BJZHZJBSCNSDLO-LBPRGKRZSA-N 2 0 245.367 -0.467 20 0 BBADRP C[NH+](C)CCCC[NH2+][C@@H]1CNCCOC1 ZINC000925520717 646312420 /nfs/dbraw/zinc/31/24/20/646312420.db2.gz MWQXOBDPCHVFNE-LLVKDONJSA-N 2 0 215.341 -0.094 20 0 BBADRP C[NH+](C)CCCC[NH2+][C@H]1CNCCOC1 ZINC000925520719 646312468 /nfs/dbraw/zinc/31/24/68/646312468.db2.gz MWQXOBDPCHVFNE-NSHDSACASA-N 2 0 215.341 -0.094 20 0 BBADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[NH2+]CCOC1 ZINC000925522476 711696734 /nfs/dbraw/zinc/69/67/34/711696734.db2.gz SAHSPWHPHRUCOM-GHMZBOCLSA-N 2 0 215.341 -0.095 20 0 BBADRP C[C@H](CC[NH+](C)C)N[C@H]1C[NH2+]CCOC1 ZINC000925522480 711696737 /nfs/dbraw/zinc/69/67/37/711696737.db2.gz SAHSPWHPHRUCOM-MNOVXSKESA-N 2 0 215.341 -0.095 20 0 BBADRP C[C@@H](CC[NH+](C)C)N[C@H]1C[NH2+]CCOC1 ZINC000925522482 711696887 /nfs/dbraw/zinc/69/68/87/711696887.db2.gz SAHSPWHPHRUCOM-QWRGUYRKSA-N 2 0 215.341 -0.095 20 0 BBADRP C[C@@H](CC[NH+](C)C)N[C@@H]1C[NH2+]CCOC1 ZINC000925522484 711696912 /nfs/dbraw/zinc/69/69/12/711696912.db2.gz SAHSPWHPHRUCOM-WDEREUQCSA-N 2 0 215.341 -0.095 20 0 BBADRP COCC[N@H+](C)CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925541580 646325549 /nfs/dbraw/zinc/32/55/49/646325549.db2.gz BXZKSXYATTXRHT-GFCCVEGCSA-N 2 0 245.367 -0.467 20 0 BBADRP COCC[N@H+](C)CCCN[C@H]1C[NH2+]CCOC1 ZINC000925541581 646322332 /nfs/dbraw/zinc/32/23/32/646322332.db2.gz BXZKSXYATTXRHT-LBPRGKRZSA-N 2 0 245.367 -0.467 20 0 BBADRP CC[C@H](CCO)C[NH2+][C@@H]1CNCCOC1 ZINC000925542361 646324641 /nfs/dbraw/zinc/32/46/41/646324641.db2.gz ZVMSCXCFOVFLPS-GHMZBOCLSA-N 2 0 216.325 -0.027 20 0 BBADRP CC[C@H](CCO)C[NH2+][C@H]1CNCCOC1 ZINC000925542362 646325160 /nfs/dbraw/zinc/32/51/60/646325160.db2.gz ZVMSCXCFOVFLPS-MNOVXSKESA-N 2 0 216.325 -0.027 20 0 BBADRP CC[C@@H](CCO)C[NH2+][C@H]1CNCCOC1 ZINC000925542363 646324350 /nfs/dbraw/zinc/32/43/50/646324350.db2.gz ZVMSCXCFOVFLPS-QWRGUYRKSA-N 2 0 216.325 -0.027 20 0 BBADRP CC[C@@H](CCO)C[NH2+][C@@H]1CNCCOC1 ZINC000925542364 646324184 /nfs/dbraw/zinc/32/41/84/646324184.db2.gz ZVMSCXCFOVFLPS-WDEREUQCSA-N 2 0 216.325 -0.027 20 0 BBADRP COCC[C@@H](C)[NH2+][C@@H]1CNCCOC1 ZINC000925550762 646329591 /nfs/dbraw/zinc/32/95/91/646329591.db2.gz OGOPHIOKRZJEGY-NXEZZACHSA-N 2 0 202.298 -0.011 20 0 BBADRP COCC[C@H](C)[NH2+][C@H]1CNCCOC1 ZINC000925550763 646328222 /nfs/dbraw/zinc/32/82/22/646328222.db2.gz OGOPHIOKRZJEGY-UWVGGRQHSA-N 2 0 202.298 -0.011 20 0 BBADRP COCC[C@H](C)[NH2+][C@@H]1CNCCOC1 ZINC000925550764 646328780 /nfs/dbraw/zinc/32/87/80/646328780.db2.gz OGOPHIOKRZJEGY-VHSXEESVSA-N 2 0 202.298 -0.011 20 0 BBADRP COCC[C@@H](C)[NH2+][C@H]1CNCCOC1 ZINC000925550765 646329393 /nfs/dbraw/zinc/32/93/93/646329393.db2.gz OGOPHIOKRZJEGY-ZJUUUORDSA-N 2 0 202.298 -0.011 20 0 BBADRP CC(C)[N@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925554569 646330875 /nfs/dbraw/zinc/33/08/75/646330875.db2.gz ABFNKBHZUUNWPV-LLVKDONJSA-N 2 0 215.341 -0.095 20 0 BBADRP CC(C)[N@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925554570 646330776 /nfs/dbraw/zinc/33/07/76/646330776.db2.gz ABFNKBHZUUNWPV-NSHDSACASA-N 2 0 215.341 -0.095 20 0 BBADRP C[N@@H+]1CCC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925555618 646332214 /nfs/dbraw/zinc/33/22/14/646332214.db2.gz HUTDMYFMGVKASK-NEPJUHHUSA-N 2 0 227.352 -0.094 20 0 BBADRP C[N@@H+]1CCC[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925555621 646331249 /nfs/dbraw/zinc/33/12/49/646331249.db2.gz HUTDMYFMGVKASK-NWDGAFQWSA-N 2 0 227.352 -0.094 20 0 BBADRP C[N@@H+]1CCC[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925555622 646330682 /nfs/dbraw/zinc/33/06/82/646330682.db2.gz HUTDMYFMGVKASK-RYUDHWBXSA-N 2 0 227.352 -0.094 20 0 BBADRP C[N@@H+]1CCC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925555624 646331634 /nfs/dbraw/zinc/33/16/34/646331634.db2.gz HUTDMYFMGVKASK-VXGBXAGGSA-N 2 0 227.352 -0.094 20 0 BBADRP COCC[N@@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925559510 646333133 /nfs/dbraw/zinc/33/31/33/646333133.db2.gz YWXRZKFKHQNXOZ-NEPJUHHUSA-N 2 0 243.351 -0.715 20 0 BBADRP COCC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925559511 646333765 /nfs/dbraw/zinc/33/37/65/646333765.db2.gz YWXRZKFKHQNXOZ-NWDGAFQWSA-N 2 0 243.351 -0.715 20 0 BBADRP COCC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925559512 646334076 /nfs/dbraw/zinc/33/40/76/646334076.db2.gz YWXRZKFKHQNXOZ-RYUDHWBXSA-N 2 0 243.351 -0.715 20 0 BBADRP COCC[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925559513 646333607 /nfs/dbraw/zinc/33/36/07/646333607.db2.gz YWXRZKFKHQNXOZ-VXGBXAGGSA-N 2 0 243.351 -0.715 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925563459 646335221 /nfs/dbraw/zinc/33/52/21/646335221.db2.gz BYXGNTBQGUQBIE-GHMZBOCLSA-N 2 0 213.325 -0.341 20 0 BBADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925563460 646335926 /nfs/dbraw/zinc/33/59/26/646335926.db2.gz BYXGNTBQGUQBIE-MNOVXSKESA-N 2 0 213.325 -0.341 20 0 BBADRP C[N@@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925563462 646335576 /nfs/dbraw/zinc/33/55/76/646335576.db2.gz BYXGNTBQGUQBIE-QWRGUYRKSA-N 2 0 213.325 -0.341 20 0 BBADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925563463 646336411 /nfs/dbraw/zinc/33/64/11/646336411.db2.gz BYXGNTBQGUQBIE-WDEREUQCSA-N 2 0 213.325 -0.341 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925576343 646342564 /nfs/dbraw/zinc/34/25/64/646342564.db2.gz XOKBXPCRXAGZLN-NEPJUHHUSA-N 2 0 240.395 -0.038 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925576344 646342581 /nfs/dbraw/zinc/34/25/81/646342581.db2.gz XOKBXPCRXAGZLN-NWDGAFQWSA-N 2 0 240.395 -0.038 20 0 BBADRP CN1CC[N@H+](C)C[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925576347 646342226 /nfs/dbraw/zinc/34/22/26/646342226.db2.gz XOKBXPCRXAGZLN-RYUDHWBXSA-N 2 0 240.395 -0.038 20 0 BBADRP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925576350 646342514 /nfs/dbraw/zinc/34/25/14/646342514.db2.gz XOKBXPCRXAGZLN-VXGBXAGGSA-N 2 0 240.395 -0.038 20 0 BBADRP COCC[N@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925577922 646343336 /nfs/dbraw/zinc/34/33/36/646343336.db2.gz RJSVCISRPLLWFU-LLVKDONJSA-N 2 0 231.340 -0.857 20 0 BBADRP COCC[N@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925577923 646344797 /nfs/dbraw/zinc/34/47/97/646344797.db2.gz RJSVCISRPLLWFU-NSHDSACASA-N 2 0 231.340 -0.857 20 0 BBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)COC1 ZINC000925586576 646346854 /nfs/dbraw/zinc/34/68/54/646346854.db2.gz UAHYYTWQTRGCGB-FOSCPWQOSA-N 2 0 240.347 -0.075 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@@H]1CC[NH2+]C1(C)C ZINC000925608606 634143617 /nfs/dbraw/zinc/14/36/17/634143617.db2.gz GDAJSDIUBGPUKD-NXEZZACHSA-N 2 0 215.341 -0.361 20 0 BBADRP C[NH+](C)C[C@@H](O)CN[C@H]1CC[NH2+]C1(C)C ZINC000925608607 634144773 /nfs/dbraw/zinc/14/47/73/634144773.db2.gz GDAJSDIUBGPUKD-UWVGGRQHSA-N 2 0 215.341 -0.361 20 0 BBADRP C[NH+](C)C[C@@H](O)CN[C@@H]1CC[NH2+]C1(C)C ZINC000925608608 634144161 /nfs/dbraw/zinc/14/41/61/634144161.db2.gz GDAJSDIUBGPUKD-VHSXEESVSA-N 2 0 215.341 -0.361 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@H]1CC[NH2+]C1(C)C ZINC000925608609 634145083 /nfs/dbraw/zinc/14/50/83/634145083.db2.gz GDAJSDIUBGPUKD-ZJUUUORDSA-N 2 0 215.341 -0.361 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925610304 646359105 /nfs/dbraw/zinc/35/91/05/646359105.db2.gz ZMYLXPXPWJXFIU-GHMZBOCLSA-N 2 0 227.352 -0.217 20 0 BBADRP C[NH+](C)C[C@H](O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000925610306 646361005 /nfs/dbraw/zinc/36/10/05/646361005.db2.gz ZMYLXPXPWJXFIU-MNOVXSKESA-N 2 0 227.352 -0.217 20 0 BBADRP C[NH+](C)C[C@@H](O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000925610307 646359652 /nfs/dbraw/zinc/35/96/52/646359652.db2.gz ZMYLXPXPWJXFIU-QWRGUYRKSA-N 2 0 227.352 -0.217 20 0 BBADRP C[NH+](C)C[C@@H](O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925610308 646360267 /nfs/dbraw/zinc/36/02/67/646360267.db2.gz ZMYLXPXPWJXFIU-WDEREUQCSA-N 2 0 227.352 -0.217 20 0 BBADRP O[C@@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000925614291 634155475 /nfs/dbraw/zinc/15/54/75/634155475.db2.gz WFLORXCDCWNONX-NEPJUHHUSA-N 2 0 243.351 -0.979 20 0 BBADRP O[C@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000925614294 634157015 /nfs/dbraw/zinc/15/70/15/634157015.db2.gz WFLORXCDCWNONX-NWDGAFQWSA-N 2 0 243.351 -0.979 20 0 BBADRP O[C@@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000925614295 634156085 /nfs/dbraw/zinc/15/60/85/634156085.db2.gz WFLORXCDCWNONX-RYUDHWBXSA-N 2 0 243.351 -0.979 20 0 BBADRP O[C@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000925614298 634155940 /nfs/dbraw/zinc/15/59/40/634155940.db2.gz WFLORXCDCWNONX-VXGBXAGGSA-N 2 0 243.351 -0.979 20 0 BBADRP C[N@H+]1CC=C(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925635820 634186738 /nfs/dbraw/zinc/18/67/38/634186738.db2.gz PERFJRILJYCEJX-GFCCVEGCSA-N 2 0 225.336 -0.174 20 0 BBADRP C[N@H+]1CC=C(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925635824 634186814 /nfs/dbraw/zinc/18/68/14/634186814.db2.gz PERFJRILJYCEJX-LBPRGKRZSA-N 2 0 225.336 -0.174 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925638645 646382113 /nfs/dbraw/zinc/38/21/13/646382113.db2.gz DQTSUXLFGGHUPR-CMPLNLGQSA-N 2 0 227.352 -0.217 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925638648 646381474 /nfs/dbraw/zinc/38/14/74/646381474.db2.gz DQTSUXLFGGHUPR-JQWIXIFHSA-N 2 0 227.352 -0.217 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925638650 646382702 /nfs/dbraw/zinc/38/27/02/646382702.db2.gz DQTSUXLFGGHUPR-PWSUYJOCSA-N 2 0 227.352 -0.217 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925638653 646383325 /nfs/dbraw/zinc/38/33/25/646383325.db2.gz DQTSUXLFGGHUPR-ZYHUDNBSSA-N 2 0 227.352 -0.217 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925640446 646383365 /nfs/dbraw/zinc/38/33/65/646383365.db2.gz SVKQHFIUCLQGCC-NEPJUHHUSA-N 2 0 239.363 -0.073 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925640448 646382612 /nfs/dbraw/zinc/38/26/12/646382612.db2.gz SVKQHFIUCLQGCC-NWDGAFQWSA-N 2 0 239.363 -0.073 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925640450 646382012 /nfs/dbraw/zinc/38/20/12/646382012.db2.gz SVKQHFIUCLQGCC-RYUDHWBXSA-N 2 0 239.363 -0.073 20 0 BBADRP C[N@@H+]1CC[C@@](O)(CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925640452 646382985 /nfs/dbraw/zinc/38/29/85/646382985.db2.gz SVKQHFIUCLQGCC-VXGBXAGGSA-N 2 0 239.363 -0.073 20 0 BBADRP C[NH+](C)CCOCCN[C@@H]1C[NH2+]CCOC1 ZINC000925648841 646389480 /nfs/dbraw/zinc/38/94/80/646389480.db2.gz GVAILWMOASWJCW-LLVKDONJSA-N 2 0 231.340 -0.857 20 0 BBADRP C[NH+](C)CCOCCN[C@H]1C[NH2+]CCOC1 ZINC000925648842 646388971 /nfs/dbraw/zinc/38/89/71/646388971.db2.gz GVAILWMOASWJCW-NSHDSACASA-N 2 0 231.340 -0.857 20 0 BBADRP C1=CC[N@H+](CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925663787 634232852 /nfs/dbraw/zinc/23/28/52/634232852.db2.gz WEMZUXLOBWANSS-GFCCVEGCSA-N 2 0 225.336 -0.174 20 0 BBADRP C1=CC[N@H+](CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925663788 634233123 /nfs/dbraw/zinc/23/31/23/634233123.db2.gz WEMZUXLOBWANSS-LBPRGKRZSA-N 2 0 225.336 -0.174 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925665439 646398284 /nfs/dbraw/zinc/39/82/84/646398284.db2.gz GHERUWHBVXKABD-AEJSXWLSSA-N 2 0 214.309 -0.147 20 0 BBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925665442 646398813 /nfs/dbraw/zinc/39/88/13/646398813.db2.gz GHERUWHBVXKABD-GUBZILKMSA-N 2 0 214.309 -0.147 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925665444 646398253 /nfs/dbraw/zinc/39/82/53/646398253.db2.gz GHERUWHBVXKABD-IVZWLZJFSA-N 2 0 214.309 -0.147 20 0 BBADRP COC[C@@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925665446 646398649 /nfs/dbraw/zinc/39/86/49/646398649.db2.gz GHERUWHBVXKABD-LPEHRKFASA-N 2 0 214.309 -0.147 20 0 BBADRP C[C@@H](C[NH+](C)C)N[C@H]1C[NH2+]CCOC1 ZINC000925672053 634256918 /nfs/dbraw/zinc/25/69/18/634256918.db2.gz GMDGESRIUHHJKL-UWVGGRQHSA-N 2 0 201.314 -0.486 20 0 BBADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[NH2+]CCOC1 ZINC000925672054 634257023 /nfs/dbraw/zinc/25/70/23/634257023.db2.gz GMDGESRIUHHJKL-VHSXEESVSA-N 2 0 201.314 -0.486 20 0 BBADRP O=C1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CN1 ZINC000925685319 646411082 /nfs/dbraw/zinc/41/10/82/646411082.db2.gz IEFLUDFYYYINEB-NXEZZACHSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CN1 ZINC000925685320 646411852 /nfs/dbraw/zinc/41/18/52/646411852.db2.gz IEFLUDFYYYINEB-UWVGGRQHSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CN1 ZINC000925685321 646411140 /nfs/dbraw/zinc/41/11/40/646411140.db2.gz IEFLUDFYYYINEB-VHSXEESVSA-N 2 0 223.320 -0.003 20 0 BBADRP O=C1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CN1 ZINC000925685322 646410681 /nfs/dbraw/zinc/41/06/81/646410681.db2.gz IEFLUDFYYYINEB-ZJUUUORDSA-N 2 0 223.320 -0.003 20 0 BBADRP OC1CC[NH+](CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925687256 634302815 /nfs/dbraw/zinc/30/28/15/634302815.db2.gz HJSBGVCQFFMSRG-LLVKDONJSA-N 2 0 243.351 -0.979 20 0 BBADRP OC1CC[NH+](CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925687257 634301809 /nfs/dbraw/zinc/30/18/09/634301809.db2.gz HJSBGVCQFFMSRG-NSHDSACASA-N 2 0 243.351 -0.979 20 0 BBADRP CC[NH2+]CCCN[C@H]1C[NH2+]CCOC1 ZINC000925687722 634304015 /nfs/dbraw/zinc/30/40/15/634304015.db2.gz AGXULCLOFXWJGM-JTQLQIEISA-N 2 0 201.314 -0.436 20 0 BBADRP CC[NH2+]CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925687723 634304438 /nfs/dbraw/zinc/30/44/38/634304438.db2.gz AGXULCLOFXWJGM-SNVBAGLBSA-N 2 0 201.314 -0.436 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1NCCN1CC[NH2+]CC1 ZINC000925687781 634304140 /nfs/dbraw/zinc/30/41/40/634304140.db2.gz BBVWPVNMBVLCLD-NEPJUHHUSA-N 2 0 226.368 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NCCN1CC[NH2+]CC1 ZINC000925687782 634304480 /nfs/dbraw/zinc/30/44/80/634304480.db2.gz BBVWPVNMBVLCLD-NWDGAFQWSA-N 2 0 226.368 -0.378 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NCCN1CC[NH2+]CC1 ZINC000925687783 634304035 /nfs/dbraw/zinc/30/40/35/634304035.db2.gz BBVWPVNMBVLCLD-RYUDHWBXSA-N 2 0 226.368 -0.378 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1NCCN1CC[NH2+]CC1 ZINC000925687784 634303764 /nfs/dbraw/zinc/30/37/64/634303764.db2.gz BBVWPVNMBVLCLD-VXGBXAGGSA-N 2 0 226.368 -0.378 20 0 BBADRP C1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C[NH2+]1 ZINC000925688248 646414623 /nfs/dbraw/zinc/41/46/23/646414623.db2.gz CHUJDWBFWVOGLH-DCHHYWPUSA-N 2 0 207.321 -0.066 20 0 BBADRP C1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[NH2+]1 ZINC000925688249 646415211 /nfs/dbraw/zinc/41/52/11/646415211.db2.gz CHUJDWBFWVOGLH-KTWSDMTRSA-N 2 0 207.321 -0.066 20 0 BBADRP C1C[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C[NH2+]1 ZINC000925688250 634305611 /nfs/dbraw/zinc/30/56/11/634305611.db2.gz CHUJDWBFWVOGLH-KUYXLPFXSA-N 2 0 207.321 -0.066 20 0 BBADRP C([NH2+][C@@H]1CNCCOC1)C1CC[NH2+]CC1 ZINC000925690371 646411774 /nfs/dbraw/zinc/41/17/74/646411774.db2.gz JFVKDSCBGQLUBX-LLVKDONJSA-N 2 0 213.325 -0.436 20 0 BBADRP C([NH2+][C@H]1CNCCOC1)C1CC[NH2+]CC1 ZINC000925690372 646411270 /nfs/dbraw/zinc/41/12/70/646411270.db2.gz JFVKDSCBGQLUBX-NSHDSACASA-N 2 0 213.325 -0.436 20 0 BBADRP C1C[C@H]2CC(N[C@@H]3C[NH2+]CCOC3)C[C@@H]1[NH2+]2 ZINC000925691003 646417247 /nfs/dbraw/zinc/41/72/47/646417247.db2.gz LAUFWQWBTUJQOG-AYLPWXGPSA-N 2 0 225.336 -0.153 20 0 BBADRP C1C[C@H]2CC(N[C@H]3C[NH2+]CCOC3)C[C@@H]1[NH2+]2 ZINC000925691006 646416247 /nfs/dbraw/zinc/41/62/47/646416247.db2.gz LAUFWQWBTUJQOG-MBYGNEARSA-N 2 0 225.336 -0.153 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NCCN1CC[NH2+]CC1 ZINC000925691948 634323382 /nfs/dbraw/zinc/32/33/82/634323382.db2.gz NTDQBUICZGRCDC-LLVKDONJSA-N 3 0 226.368 -0.378 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NCCN1CC[NH2+]CC1 ZINC000925691951 634323571 /nfs/dbraw/zinc/32/35/71/634323571.db2.gz NTDQBUICZGRCDC-NSHDSACASA-N 3 0 226.368 -0.378 20 0 BBADRP C[C@H](N[C@@H]1C[NH2+]CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000925692606 634325194 /nfs/dbraw/zinc/32/51/94/634325194.db2.gz NFDSDCHDWDKVEM-QJPTWQEYSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@H](N[C@@H]1C[NH2+]CCOC1)[C@H]1CCC[NH2+]C1 ZINC000925692608 634326117 /nfs/dbraw/zinc/32/61/17/634326117.db2.gz NFDSDCHDWDKVEM-SDDRHHMPSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@H](N[C@H]1C[NH2+]CCOC1)[C@H]1CCC[NH2+]C1 ZINC000925692610 634324859 /nfs/dbraw/zinc/32/48/59/634324859.db2.gz NFDSDCHDWDKVEM-SRVKXCTJSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@H](N[C@H]1C[NH2+]CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000925692612 634325530 /nfs/dbraw/zinc/32/55/30/634325530.db2.gz NFDSDCHDWDKVEM-TUAOUCFPSA-N 2 0 227.352 -0.048 20 0 BBADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[NH2+]CCOC1 ZINC000925692621 646418468 /nfs/dbraw/zinc/41/84/68/646418468.db2.gz NJCORZJZMVWFPX-GHMZBOCLSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[NH2+]CCOC1 ZINC000925692622 646418663 /nfs/dbraw/zinc/41/86/63/646418663.db2.gz NJCORZJZMVWFPX-MNOVXSKESA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)C[C@@H](C[NH3+])N[C@H]1C[NH2+]CCOC1 ZINC000925692624 646418269 /nfs/dbraw/zinc/41/82/69/646418269.db2.gz NJCORZJZMVWFPX-QWRGUYRKSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1C[NH2+]CCOC1 ZINC000925692626 646418315 /nfs/dbraw/zinc/41/83/15/646418315.db2.gz NJCORZJZMVWFPX-WDEREUQCSA-N 2 0 215.341 -0.062 20 0 BBADRP C(N[C@@H]1C[NH2+]CCOC1)[C@H]1CCCC[NH2+]1 ZINC000925693557 634329328 /nfs/dbraw/zinc/32/93/28/634329328.db2.gz PNIZNAVGSAHPSG-GHMZBOCLSA-N 2 0 213.325 -0.294 20 0 BBADRP C(N[C@H]1C[NH2+]CCOC1)[C@H]1CCCC[NH2+]1 ZINC000925693559 634329213 /nfs/dbraw/zinc/32/92/13/634329213.db2.gz PNIZNAVGSAHPSG-MNOVXSKESA-N 2 0 213.325 -0.294 20 0 BBADRP C(N[C@H]1C[NH2+]CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000925693560 634329815 /nfs/dbraw/zinc/32/98/15/634329815.db2.gz PNIZNAVGSAHPSG-QWRGUYRKSA-N 2 0 213.325 -0.294 20 0 BBADRP C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000925693562 634329703 /nfs/dbraw/zinc/32/97/03/634329703.db2.gz PNIZNAVGSAHPSG-WDEREUQCSA-N 2 0 213.325 -0.294 20 0 BBADRP C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000925693571 634329574 /nfs/dbraw/zinc/32/95/74/634329574.db2.gz POIMKXBLVZFELT-GHMZBOCLSA-N 2 0 213.325 -0.436 20 0 BBADRP C(N[C@H]1C[NH2+]CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000925693572 634329161 /nfs/dbraw/zinc/32/91/61/634329161.db2.gz POIMKXBLVZFELT-MNOVXSKESA-N 2 0 213.325 -0.436 20 0 BBADRP C(N[C@H]1C[NH2+]CCOC1)[C@H]1CCC[NH2+]C1 ZINC000925693573 634329921 /nfs/dbraw/zinc/32/99/21/634329921.db2.gz POIMKXBLVZFELT-QWRGUYRKSA-N 2 0 213.325 -0.436 20 0 BBADRP C(N[C@@H]1C[NH2+]CCOC1)[C@H]1CCC[NH2+]C1 ZINC000925693574 634330052 /nfs/dbraw/zinc/33/00/52/634330052.db2.gz POIMKXBLVZFELT-WDEREUQCSA-N 2 0 213.325 -0.436 20 0 BBADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925693791 646420113 /nfs/dbraw/zinc/42/01/13/646420113.db2.gz RTJQBNRZWROYBY-JTQLQIEISA-N 2 0 223.324 -0.035 20 0 BBADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925693793 646419786 /nfs/dbraw/zinc/41/97/86/646419786.db2.gz RTJQBNRZWROYBY-SNVBAGLBSA-N 2 0 223.324 -0.035 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NCC(=O)N1CC[NH2+]CC1 ZINC000925693915 646419287 /nfs/dbraw/zinc/41/92/87/646419287.db2.gz SRNNECKJQPPLRR-JTQLQIEISA-N 2 0 240.351 -0.852 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NCC(=O)N1CC[NH2+]CC1 ZINC000925693917 646420626 /nfs/dbraw/zinc/42/06/26/646420626.db2.gz SRNNECKJQPPLRR-SNVBAGLBSA-N 2 0 240.351 -0.852 20 0 BBADRP CC(C)[NH2+]CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925694290 634337493 /nfs/dbraw/zinc/33/74/93/634337493.db2.gz RUEMWLXHIAHGNW-LLVKDONJSA-N 2 0 215.341 -0.048 20 0 BBADRP CC(C)[NH2+]CCCN[C@H]1C[NH2+]CCOC1 ZINC000925694291 634338483 /nfs/dbraw/zinc/33/84/83/634338483.db2.gz RUEMWLXHIAHGNW-NSHDSACASA-N 2 0 215.341 -0.048 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925694803 634339146 /nfs/dbraw/zinc/33/91/46/634339146.db2.gz TYJAMFLJAXSXIM-AXFHLTTASA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925694805 634340197 /nfs/dbraw/zinc/34/01/97/634340197.db2.gz TYJAMFLJAXSXIM-DCAQKATOSA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925694807 634340126 /nfs/dbraw/zinc/34/01/26/634340126.db2.gz TYJAMFLJAXSXIM-GARJFASQSA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925694808 634340562 /nfs/dbraw/zinc/34/05/62/634340562.db2.gz TYJAMFLJAXSXIM-HBNTYKKESA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)C12CCC2 ZINC000925695056 646419928 /nfs/dbraw/zinc/41/99/28/646419928.db2.gz VVXAFXHPFUNICO-NEPJUHHUSA-N 3 0 238.379 -0.249 20 0 BBADRP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C12CCC2 ZINC000925695058 646420694 /nfs/dbraw/zinc/42/06/94/646420694.db2.gz VVXAFXHPFUNICO-NWDGAFQWSA-N 3 0 238.379 -0.249 20 0 BBADRP [NH3+][C@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)C12CCC2 ZINC000925695061 646419530 /nfs/dbraw/zinc/41/95/30/646419530.db2.gz VVXAFXHPFUNICO-RYUDHWBXSA-N 3 0 238.379 -0.249 20 0 BBADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C12CCC2 ZINC000925695063 646420315 /nfs/dbraw/zinc/42/03/15/646420315.db2.gz VVXAFXHPFUNICO-VXGBXAGGSA-N 3 0 238.379 -0.249 20 0 BBADRP [NH3+]C1CCC([NH2+][C@H]2CNCCOC2)CC1 ZINC000925695240 634346180 /nfs/dbraw/zinc/34/61/80/634346180.db2.gz UUMWHWGGUKQILB-ILDUYXDCSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+]C1CCC([NH2+][C@@H]2CNCCOC2)CC1 ZINC000925695242 634345642 /nfs/dbraw/zinc/34/56/42/634345642.db2.gz UUMWHWGGUKQILB-VQXHTEKXSA-N 2 0 213.325 -0.166 20 0 BBADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CNCCOC1 ZINC000925695321 646420359 /nfs/dbraw/zinc/42/03/59/646420359.db2.gz VSNMTEUABLVWIZ-GHMZBOCLSA-N 2 0 213.325 -0.436 20 0 BBADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CNCCOC1 ZINC000925695323 646419454 /nfs/dbraw/zinc/41/94/54/646419454.db2.gz VSNMTEUABLVWIZ-MNOVXSKESA-N 2 0 213.325 -0.436 20 0 BBADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CNCCOC1 ZINC000925695326 646420706 /nfs/dbraw/zinc/42/07/06/646420706.db2.gz VSNMTEUABLVWIZ-QWRGUYRKSA-N 2 0 213.325 -0.436 20 0 BBADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CNCCOC1 ZINC000925695327 646403070 /nfs/dbraw/zinc/40/30/70/646403070.db2.gz VSNMTEUABLVWIZ-WDEREUQCSA-N 2 0 213.325 -0.436 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1NCC(=O)N1CC[NH2+]CC1 ZINC000925695918 634352274 /nfs/dbraw/zinc/35/22/74/634352274.db2.gz YPIYFCXLSYIXQI-GHMZBOCLSA-N 2 0 240.351 -0.852 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1NCC(=O)N1CC[NH2+]CC1 ZINC000925695921 634353444 /nfs/dbraw/zinc/35/34/44/634353444.db2.gz YPIYFCXLSYIXQI-MNOVXSKESA-N 2 0 240.351 -0.852 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC(=O)N1CC[NH2+]CC1 ZINC000925695923 634351761 /nfs/dbraw/zinc/35/17/61/634351761.db2.gz YPIYFCXLSYIXQI-QWRGUYRKSA-N 2 0 240.351 -0.852 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NCC(=O)N1CC[NH2+]CC1 ZINC000925695925 634352749 /nfs/dbraw/zinc/35/27/49/634352749.db2.gz YPIYFCXLSYIXQI-WDEREUQCSA-N 2 0 240.351 -0.852 20 0 BBADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[NH2+]CCOC1 ZINC000925696346 646422222 /nfs/dbraw/zinc/42/22/22/646422222.db2.gz ZQTXOQAGKSFIFA-NXEZZACHSA-N 2 0 201.314 -0.452 20 0 BBADRP CC(C)[C@@H]([NH3+])CN[C@H]1C[NH2+]CCOC1 ZINC000925696350 646421391 /nfs/dbraw/zinc/42/13/91/646421391.db2.gz ZQTXOQAGKSFIFA-UWVGGRQHSA-N 2 0 201.314 -0.452 20 0 BBADRP CC(C)[C@H]([NH3+])CN[C@H]1C[NH2+]CCOC1 ZINC000925696351 646421850 /nfs/dbraw/zinc/42/18/50/646421850.db2.gz ZQTXOQAGKSFIFA-VHSXEESVSA-N 2 0 201.314 -0.452 20 0 BBADRP CC(C)[C@@H]([NH3+])CN[C@@H]1C[NH2+]CCOC1 ZINC000925696352 646422082 /nfs/dbraw/zinc/42/20/82/646422082.db2.gz ZQTXOQAGKSFIFA-ZJUUUORDSA-N 2 0 201.314 -0.452 20 0 BBADRP COCC[NH2+]CCN[C@H]1CC[NH2+]C1(C)C ZINC000925696868 646421232 /nfs/dbraw/zinc/42/12/32/646421232.db2.gz BPUYCONXAVLJJT-JTQLQIEISA-N 2 0 215.341 -0.048 20 0 BBADRP COCC[NH2+]CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925696870 646422006 /nfs/dbraw/zinc/42/20/06/646422006.db2.gz BPUYCONXAVLJJT-SNVBAGLBSA-N 2 0 215.341 -0.048 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925697381 646421274 /nfs/dbraw/zinc/42/12/74/646421274.db2.gz FKBQNNNXRXMVAF-GMTAPVOTSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925697382 646421683 /nfs/dbraw/zinc/42/16/83/646421683.db2.gz FKBQNNNXRXMVAF-MXWKQRLJSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925697383 646422245 /nfs/dbraw/zinc/42/22/45/646422245.db2.gz FKBQNNNXRXMVAF-OUAUKWLOSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925697384 646422131 /nfs/dbraw/zinc/42/21/31/646422131.db2.gz FKBQNNNXRXMVAF-VWYCJHECSA-N 2 0 213.325 -0.438 20 0 BBADRP CC1(C[NH2+][C@@H]2CNCCOC2)CC[NH2+]CC1 ZINC000925698106 646423673 /nfs/dbraw/zinc/42/36/73/646423673.db2.gz JBGPGXJMDHMXKX-LLVKDONJSA-N 2 0 227.352 -0.046 20 0 BBADRP CC1(C[NH2+][C@H]2CNCCOC2)CC[NH2+]CC1 ZINC000925698107 646422962 /nfs/dbraw/zinc/42/29/62/646422962.db2.gz JBGPGXJMDHMXKX-NSHDSACASA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925699307 634366836 /nfs/dbraw/zinc/36/68/36/634366836.db2.gz KLNHEEJRHUMGAS-GMTAPVOTSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925699308 634366552 /nfs/dbraw/zinc/36/65/52/634366552.db2.gz KLNHEEJRHUMGAS-MXWKQRLJSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925699310 634367050 /nfs/dbraw/zinc/36/70/50/634367050.db2.gz KLNHEEJRHUMGAS-OUAUKWLOSA-N 2 0 213.325 -0.438 20 0 BBADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925699311 634366630 /nfs/dbraw/zinc/36/66/30/634366630.db2.gz KLNHEEJRHUMGAS-VWYCJHECSA-N 2 0 213.325 -0.438 20 0 BBADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1C[NH2+]C1 ZINC000925699463 646423793 /nfs/dbraw/zinc/42/37/93/646423793.db2.gz PABQLJSUJNERDC-KKJSVHSVSA-N 2 0 207.321 -0.208 20 0 BBADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1C[NH2+]C1 ZINC000925699465 634366636 /nfs/dbraw/zinc/36/66/36/634366636.db2.gz PABQLJSUJNERDC-NGDQXYMTSA-N 2 0 207.321 -0.208 20 0 BBADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1C[NH2+]C1 ZINC000925699466 634367006 /nfs/dbraw/zinc/36/70/06/634367006.db2.gz PABQLJSUJNERDC-RNWYCLNJSA-N 2 0 207.321 -0.208 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925699625 646423874 /nfs/dbraw/zinc/42/38/74/646423874.db2.gz LHNHOUJYTWOZFX-AXFHLTTASA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925699626 646423644 /nfs/dbraw/zinc/42/36/44/646423644.db2.gz LHNHOUJYTWOZFX-DCAQKATOSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925699627 646422925 /nfs/dbraw/zinc/42/29/25/646422925.db2.gz LHNHOUJYTWOZFX-GARJFASQSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925699628 634368664 /nfs/dbraw/zinc/36/86/64/634368664.db2.gz LHNHOUJYTWOZFX-HBNTYKKESA-N 2 0 213.325 -0.295 20 0 BBADRP CC[NH2+][C@H](C)CN[C@@H]1C[NH2+]CCOC1 ZINC000925700446 646425840 /nfs/dbraw/zinc/42/58/40/646425840.db2.gz PWKYFVGZHOMHLH-NXEZZACHSA-N 2 0 201.314 -0.438 20 0 BBADRP CC[NH2+][C@H](C)CN[C@H]1C[NH2+]CCOC1 ZINC000925700447 646425097 /nfs/dbraw/zinc/42/50/97/646425097.db2.gz PWKYFVGZHOMHLH-ZJUUUORDSA-N 2 0 201.314 -0.438 20 0 BBADRP C1C[NH2+]CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925700457 634370903 /nfs/dbraw/zinc/37/09/03/634370903.db2.gz QAPBOIHHLQLZGS-GHMZBOCLSA-N 2 0 213.325 -0.294 20 0 BBADRP C1C[NH2+]CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925700458 634370526 /nfs/dbraw/zinc/37/05/26/634370526.db2.gz QAPBOIHHLQLZGS-MNOVXSKESA-N 2 0 213.325 -0.294 20 0 BBADRP C1C[NH2+]CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925700459 634371359 /nfs/dbraw/zinc/37/13/59/634371359.db2.gz QAPBOIHHLQLZGS-QWRGUYRKSA-N 2 0 213.325 -0.294 20 0 BBADRP C1C[NH2+]CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925700460 634370563 /nfs/dbraw/zinc/37/05/63/634370563.db2.gz QAPBOIHHLQLZGS-WDEREUQCSA-N 2 0 213.325 -0.294 20 0 BBADRP COCC[NH2+]CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925700573 634370700 /nfs/dbraw/zinc/37/07/00/634370700.db2.gz UQGXNICJXKHBHN-GHMZBOCLSA-N 2 0 215.341 -0.048 20 0 BBADRP COCC[NH2+]CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925700574 634370492 /nfs/dbraw/zinc/37/04/92/634370492.db2.gz UQGXNICJXKHBHN-MNOVXSKESA-N 2 0 215.341 -0.048 20 0 BBADRP COCC[NH2+]CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925700575 634371500 /nfs/dbraw/zinc/37/15/00/634371500.db2.gz UQGXNICJXKHBHN-QWRGUYRKSA-N 2 0 215.341 -0.048 20 0 BBADRP COCC[NH2+]CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925700576 634371121 /nfs/dbraw/zinc/37/11/21/634371121.db2.gz UQGXNICJXKHBHN-WDEREUQCSA-N 2 0 215.341 -0.048 20 0 BBADRP C1=C(CN[C@@H]2C[NH2+]CCOC2)CC[NH2+]C1 ZINC000925700586 634370837 /nfs/dbraw/zinc/37/08/37/634370837.db2.gz VFPSGCYKDDZDMB-LLVKDONJSA-N 2 0 211.309 -0.516 20 0 BBADRP C1=C(CN[C@H]2C[NH2+]CCOC2)CC[NH2+]C1 ZINC000925700587 634370033 /nfs/dbraw/zinc/37/00/33/634370033.db2.gz VFPSGCYKDDZDMB-NSHDSACASA-N 2 0 211.309 -0.516 20 0 BBADRP COCC[NH2+]CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925700816 646425818 /nfs/dbraw/zinc/42/58/18/646425818.db2.gz WRTZYCJNQJYPTB-JZRPKSSGSA-N 2 0 239.363 -0.192 20 0 BBADRP COCC[NH2+]CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925700818 646425299 /nfs/dbraw/zinc/42/52/99/646425299.db2.gz WRTZYCJNQJYPTB-NWBUJAPZSA-N 2 0 239.363 -0.192 20 0 BBADRP COCC[NH2+]CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925700819 646424763 /nfs/dbraw/zinc/42/47/63/646424763.db2.gz WRTZYCJNQJYPTB-OBPIAQAESA-N 2 0 239.363 -0.192 20 0 BBADRP C[C@]1(CN[C@@H]2C[NH2+]CCOC2)CCC[NH2+]C1 ZINC000925701118 646425691 /nfs/dbraw/zinc/42/56/91/646425691.db2.gz ZKEHLWVQNPJAJC-NEPJUHHUSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@]1(CN[C@H]2C[NH2+]CCOC2)CCC[NH2+]C1 ZINC000925701119 646425179 /nfs/dbraw/zinc/42/51/79/646425179.db2.gz ZKEHLWVQNPJAJC-NWDGAFQWSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@]1(CN[C@H]2C[NH2+]CCOC2)CCC[NH2+]C1 ZINC000925701120 646425654 /nfs/dbraw/zinc/42/56/54/646425654.db2.gz ZKEHLWVQNPJAJC-RYUDHWBXSA-N 2 0 227.352 -0.046 20 0 BBADRP C[C@@]1(CN[C@@H]2C[NH2+]CCOC2)CCC[NH2+]C1 ZINC000925701121 646425125 /nfs/dbraw/zinc/42/51/25/646425125.db2.gz ZKEHLWVQNPJAJC-VXGBXAGGSA-N 2 0 227.352 -0.046 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925701353 634374721 /nfs/dbraw/zinc/37/47/21/634374721.db2.gz YAKPULTWLYDQAV-GMTAPVOTSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925701354 634374825 /nfs/dbraw/zinc/37/48/25/634374825.db2.gz YAKPULTWLYDQAV-MXWKQRLJSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925701355 634375078 /nfs/dbraw/zinc/37/50/78/634375078.db2.gz YAKPULTWLYDQAV-OUAUKWLOSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925701356 634374850 /nfs/dbraw/zinc/37/48/50/634374850.db2.gz YAKPULTWLYDQAV-VWYCJHECSA-N 2 0 213.325 -0.166 20 0 BBADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CNCCOC1 ZINC000925701766 646424607 /nfs/dbraw/zinc/42/46/07/646424607.db2.gz FCQCBVVOBNXPEJ-GFCCVEGCSA-N 2 0 227.352 -0.046 20 0 BBADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CNCCOC1 ZINC000925701767 646425502 /nfs/dbraw/zinc/42/55/02/646425502.db2.gz FCQCBVVOBNXPEJ-LBPRGKRZSA-N 2 0 227.352 -0.046 20 0 BBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925702025 646424442 /nfs/dbraw/zinc/42/44/42/646424442.db2.gz JLSCNFKIQBDDAV-AMDVPWGISA-N 2 0 235.331 -0.164 20 0 BBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925702026 646424976 /nfs/dbraw/zinc/42/49/76/646424976.db2.gz JLSCNFKIQBDDAV-BJNKXCLLSA-N 2 0 235.331 -0.164 20 0 BBADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925702028 646424951 /nfs/dbraw/zinc/42/49/51/646424951.db2.gz JLSCNFKIQBDDAV-UWEPNDTESA-N 2 0 235.331 -0.164 20 0 BBADRP [NH3+]CC1(CC[NH2+][C@H]2CNCCOC2)CC1 ZINC000925702088 646427406 /nfs/dbraw/zinc/42/74/06/646427406.db2.gz KUBQICOOGNQHAR-JTQLQIEISA-N 2 0 213.325 -0.307 20 0 BBADRP [NH3+]CC1(CC[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925702089 646426449 /nfs/dbraw/zinc/42/64/49/646426449.db2.gz KUBQICOOGNQHAR-SNVBAGLBSA-N 2 0 213.325 -0.307 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925702388 646427823 /nfs/dbraw/zinc/42/78/23/646427823.db2.gz CGWKFMKOQRQASM-GMTAPVOTSA-N 2 0 213.325 -0.166 20 0 BBADRP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925702389 646427151 /nfs/dbraw/zinc/42/71/51/646427151.db2.gz CGWKFMKOQRQASM-HBNTYKKESA-N 2 0 213.325 -0.166 20 0 BBADRP C(CN[C@@H]1C[NH2+]CCOC1)C[NH2+]C1CC1 ZINC000925704048 634382344 /nfs/dbraw/zinc/38/23/44/634382344.db2.gz FYMKOKLUNQBLDQ-LLVKDONJSA-N 2 0 213.325 -0.294 20 0 BBADRP C(CN[C@H]1C[NH2+]CCOC1)C[NH2+]C1CC1 ZINC000925704050 634380650 /nfs/dbraw/zinc/38/06/50/634380650.db2.gz FYMKOKLUNQBLDQ-NSHDSACASA-N 2 0 213.325 -0.294 20 0 BBADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CNCCOC3)CC[C@H]12 ZINC000925704311 646428387 /nfs/dbraw/zinc/42/83/87/646428387.db2.gz GCGYIJXTHVMFEV-FDYHWXHSSA-N 3 0 239.363 -0.048 20 0 BBADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CNCCOC3)CC[C@@H]12 ZINC000925704313 646429743 /nfs/dbraw/zinc/42/97/43/646429743.db2.gz GCGYIJXTHVMFEV-UMSGYPCISA-N 3 0 239.363 -0.048 20 0 BBADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@@H]3CNCCOC3)CC[C@@H]12 ZINC000925704314 646429523 /nfs/dbraw/zinc/42/95/23/646429523.db2.gz GCGYIJXTHVMFEV-WUHRBBMRSA-N 3 0 239.363 -0.048 20 0 BBADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@@H]3CNCCOC3)C[C@@H]12 ZINC000925704316 646428731 /nfs/dbraw/zinc/42/87/31/646428731.db2.gz GCGYIJXTHVMFEV-YVECIDJPSA-N 3 0 239.363 -0.048 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CNCCOC2)C1 ZINC000925704663 646428461 /nfs/dbraw/zinc/42/84/61/646428461.db2.gz ZXIFEBNQHFXBBF-SDDRHHMPSA-N 2 0 227.352 -0.095 20 0 BBADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CNCCOC2)C1 ZINC000925704664 634384093 /nfs/dbraw/zinc/38/40/93/634384093.db2.gz ZXIFEBNQHFXBBF-UTUOFQBUSA-N 2 0 227.352 -0.095 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]1C[NH2+]CCO1 ZINC000925704870 634384452 /nfs/dbraw/zinc/38/44/52/634384452.db2.gz HPBVLLFBPCZPTI-NXEZZACHSA-N 2 0 213.325 -0.295 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000925704871 634383282 /nfs/dbraw/zinc/38/32/82/634383282.db2.gz HPBVLLFBPCZPTI-UWVGGRQHSA-N 2 0 213.325 -0.295 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000925704872 634383783 /nfs/dbraw/zinc/38/37/83/634383783.db2.gz HPBVLLFBPCZPTI-VHSXEESVSA-N 2 0 213.325 -0.295 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1C[NH2+]CCO1 ZINC000925704873 634384888 /nfs/dbraw/zinc/38/48/88/634384888.db2.gz HPBVLLFBPCZPTI-ZJUUUORDSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1C[NH2+]CCO1 ZINC000925704956 646429688 /nfs/dbraw/zinc/42/96/88/646429688.db2.gz JAQVNVHDIPTKIR-AXFHLTTASA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000925704957 646428960 /nfs/dbraw/zinc/42/89/60/646428960.db2.gz JAQVNVHDIPTKIR-DCAQKATOSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000925704958 646429202 /nfs/dbraw/zinc/42/92/02/646429202.db2.gz JAQVNVHDIPTKIR-GARJFASQSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1C[NH2+]CCO1 ZINC000925704959 646428574 /nfs/dbraw/zinc/42/85/74/646428574.db2.gz JAQVNVHDIPTKIR-HBNTYKKESA-N 2 0 213.325 -0.295 20 0 BBADRP C1[C@@H](N[C@@H]2C[NH2+]CCOC2)C12CC[NH2+]CC2 ZINC000925705153 634385704 /nfs/dbraw/zinc/38/57/04/634385704.db2.gz IACBXXZDFFFSGC-GHMZBOCLSA-N 2 0 225.336 -0.294 20 0 BBADRP C1[C@H](N[C@@H]2C[NH2+]CCOC2)C12CC[NH2+]CC2 ZINC000925705154 634385428 /nfs/dbraw/zinc/38/54/28/634385428.db2.gz IACBXXZDFFFSGC-MNOVXSKESA-N 2 0 225.336 -0.294 20 0 BBADRP C1[C@H](N[C@H]2C[NH2+]CCOC2)C12CC[NH2+]CC2 ZINC000925705155 634386860 /nfs/dbraw/zinc/38/68/60/634386860.db2.gz IACBXXZDFFFSGC-QWRGUYRKSA-N 2 0 225.336 -0.294 20 0 BBADRP C1[C@@H](N[C@H]2C[NH2+]CCOC2)C12CC[NH2+]CC2 ZINC000925705156 634387103 /nfs/dbraw/zinc/38/71/03/634387103.db2.gz IACBXXZDFFFSGC-WDEREUQCSA-N 2 0 225.336 -0.294 20 0 BBADRP C1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C[NH2+]C1 ZINC000925705487 646430658 /nfs/dbraw/zinc/43/06/58/646430658.db2.gz JKQZIQISKJQUCJ-GHMZBOCLSA-N 2 0 213.325 -0.294 20 0 BBADRP C1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C[NH2+]C1 ZINC000925705489 646430416 /nfs/dbraw/zinc/43/04/16/646430416.db2.gz JKQZIQISKJQUCJ-MNOVXSKESA-N 2 0 213.325 -0.294 20 0 BBADRP C1CC[C@H](N[C@H]2C[NH2+]CCOC2)C[NH2+]C1 ZINC000925705491 646430911 /nfs/dbraw/zinc/43/09/11/646430911.db2.gz JKQZIQISKJQUCJ-QWRGUYRKSA-N 2 0 213.325 -0.294 20 0 BBADRP C1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C[NH2+]C1 ZINC000925705493 646430866 /nfs/dbraw/zinc/43/08/66/646430866.db2.gz JKQZIQISKJQUCJ-WDEREUQCSA-N 2 0 213.325 -0.294 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CNCCOC2)C1 ZINC000925706658 646430558 /nfs/dbraw/zinc/43/05/58/646430558.db2.gz KBCOQDYFCRPHBS-GMTAPVOTSA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CNCCOC2)C1 ZINC000925706659 646431514 /nfs/dbraw/zinc/43/15/14/646431514.db2.gz KBCOQDYFCRPHBS-MXWKQRLJSA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CNCCOC2)C1 ZINC000925706660 646430615 /nfs/dbraw/zinc/43/06/15/646430615.db2.gz KBCOQDYFCRPHBS-OUAUKWLOSA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CNCCOC2)C1 ZINC000925706661 646431566 /nfs/dbraw/zinc/43/15/66/646431566.db2.gz KBCOQDYFCRPHBS-VWYCJHECSA-N 2 0 213.325 -0.308 20 0 BBADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1C[NH2+]CCO1 ZINC000925708563 634402579 /nfs/dbraw/zinc/40/25/79/634402579.db2.gz RMZVRNXQESDLLH-LIBFEPKXSA-N 2 0 237.347 -0.439 20 0 BBADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1C[NH2+]CCO1 ZINC000925708564 634402017 /nfs/dbraw/zinc/40/20/17/634402017.db2.gz RMZVRNXQESDLLH-MCDVFOBDSA-N 2 0 237.347 -0.439 20 0 BBADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1C[NH2+]CCO1 ZINC000925708565 634403272 /nfs/dbraw/zinc/40/32/72/634403272.db2.gz RMZVRNXQESDLLH-RJRAAQABSA-N 2 0 237.347 -0.439 20 0 BBADRP [NH3+]C1(CN[C@H]2C[NH2+]CCOC2)CCCC1 ZINC000925709612 646434663 /nfs/dbraw/zinc/43/46/63/646434663.db2.gz HITKJFLPTBOWBU-JTQLQIEISA-N 2 0 213.325 -0.164 20 0 BBADRP [NH3+]C1(CN[C@@H]2C[NH2+]CCOC2)CCCC1 ZINC000925709613 646433979 /nfs/dbraw/zinc/43/39/79/646433979.db2.gz HITKJFLPTBOWBU-SNVBAGLBSA-N 2 0 213.325 -0.164 20 0 BBADRP C1=C(CC[NH2+][C@@H]2CNCCOC2)CC[NH2+]C1 ZINC000925710032 634409391 /nfs/dbraw/zinc/40/93/91/634409391.db2.gz VTGLMLAPMHCLRB-GFCCVEGCSA-N 2 0 225.336 -0.126 20 0 BBADRP C1=C(CC[NH2+][C@H]2CNCCOC2)CC[NH2+]C1 ZINC000925710034 634408614 /nfs/dbraw/zinc/40/86/14/634408614.db2.gz VTGLMLAPMHCLRB-LBPRGKRZSA-N 2 0 225.336 -0.126 20 0 BBADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCO2)C12CCC2 ZINC000925710549 646434246 /nfs/dbraw/zinc/43/42/46/646434246.db2.gz WXDBKCJXGLVFPT-AXFHLTTASA-N 2 0 225.336 -0.166 20 0 BBADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCO2)C12CCC2 ZINC000925710550 646434155 /nfs/dbraw/zinc/43/41/55/646434155.db2.gz WXDBKCJXGLVFPT-GMTAPVOTSA-N 2 0 225.336 -0.166 20 0 BBADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCO2)C12CCC2 ZINC000925710551 634409271 /nfs/dbraw/zinc/40/92/71/634409271.db2.gz WXDBKCJXGLVFPT-HBNTYKKESA-N 2 0 225.336 -0.166 20 0 BBADRP [NH3+][C@@H]1C[C@H](NC[C@H]2C[NH2+]CCO2)C12CCC2 ZINC000925710552 634408788 /nfs/dbraw/zinc/40/87/88/634408788.db2.gz WXDBKCJXGLVFPT-MXWKQRLJSA-N 2 0 225.336 -0.166 20 0 BBADRP F[C@@H]1C[NH2+][C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925711836 646437469 /nfs/dbraw/zinc/43/74/69/646437469.db2.gz SMXCCFSOMJZMKT-GUBZILKMSA-N 2 0 217.288 -0.736 20 0 BBADRP F[C@@H]1C[NH2+][C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925711837 711711344 /nfs/dbraw/zinc/71/13/44/711711344.db2.gz SMXCCFSOMJZMKT-LPEHRKFASA-N 2 0 217.288 -0.736 20 0 BBADRP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925711862 646435947 /nfs/dbraw/zinc/43/59/47/646435947.db2.gz SYSMBZANTSVJDE-BDAKNGLRSA-N 2 0 235.278 -0.438 20 0 BBADRP FC1(F)CC[NH2+]C[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925711864 646437179 /nfs/dbraw/zinc/43/71/79/646437179.db2.gz SYSMBZANTSVJDE-DTWKUNHWSA-N 2 0 235.278 -0.438 20 0 BBADRP FC1(F)CC[NH2+]C[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925711866 646436280 /nfs/dbraw/zinc/43/62/80/646436280.db2.gz SYSMBZANTSVJDE-IUCAKERBSA-N 2 0 235.278 -0.438 20 0 BBADRP FC1(F)CC[NH2+]C[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925711867 646437718 /nfs/dbraw/zinc/43/77/18/646437718.db2.gz SYSMBZANTSVJDE-RKDXNWHRSA-N 2 0 235.278 -0.438 20 0 BBADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CNCCOC1 ZINC000925712913 646438751 /nfs/dbraw/zinc/43/87/51/646438751.db2.gz VXZRIRQVSWBMQH-NXEZZACHSA-N 2 0 201.314 -0.308 20 0 BBADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CNCCOC1 ZINC000925712915 646439560 /nfs/dbraw/zinc/43/95/60/646439560.db2.gz VXZRIRQVSWBMQH-UWVGGRQHSA-N 2 0 201.314 -0.308 20 0 BBADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CNCCOC1 ZINC000925712916 646439250 /nfs/dbraw/zinc/43/92/50/646439250.db2.gz VXZRIRQVSWBMQH-VHSXEESVSA-N 2 0 201.314 -0.308 20 0 BBADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CNCCOC1 ZINC000925712918 646439541 /nfs/dbraw/zinc/43/95/41/646439541.db2.gz VXZRIRQVSWBMQH-ZJUUUORDSA-N 2 0 201.314 -0.308 20 0 BBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000925714006 646439623 /nfs/dbraw/zinc/43/96/23/646439623.db2.gz ZHLVSUBGMDRNLO-KNZXXDILSA-N 3 0 225.336 -0.310 20 0 BBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000925714007 646438653 /nfs/dbraw/zinc/43/86/53/646438653.db2.gz ZHLVSUBGMDRNLO-MTVMDMGHSA-N 3 0 225.336 -0.310 20 0 BBADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[NH2+]CCOC1 ZINC000925715051 634435396 /nfs/dbraw/zinc/43/53/96/634435396.db2.gz BZXXTNCZVNEWOB-GHMZBOCLSA-N 2 0 215.341 -0.062 20 0 BBADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[NH2+]CCOC1 ZINC000925715052 634434900 /nfs/dbraw/zinc/43/49/00/634434900.db2.gz BZXXTNCZVNEWOB-WDEREUQCSA-N 2 0 215.341 -0.062 20 0 BBADRP C(N[C@@H]1C[NH2+]CCOC1)C12CC(C1)C[NH2+]2 ZINC000925715482 646440326 /nfs/dbraw/zinc/44/03/26/646440326.db2.gz IDAFXSYOLJNXIF-HSOILSAZSA-N 2 0 211.309 -0.684 20 0 BBADRP C(N[C@H]1C[NH2+]CCOC1)C12CC(C1)C[NH2+]2 ZINC000925715483 646441134 /nfs/dbraw/zinc/44/11/34/646441134.db2.gz IDAFXSYOLJNXIF-YVNMAJEFSA-N 2 0 211.309 -0.684 20 0 BBADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1COCC[NH2+]1 ZINC000925716152 646440925 /nfs/dbraw/zinc/44/09/25/646440925.db2.gz BRQDELJAQKYNTA-GHMZBOCLSA-N 2 0 225.336 -0.151 20 0 BBADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1COCC[NH2+]1 ZINC000925716153 646441319 /nfs/dbraw/zinc/44/13/19/646441319.db2.gz BRQDELJAQKYNTA-MNOVXSKESA-N 2 0 225.336 -0.151 20 0 BBADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1COCC[NH2+]1 ZINC000925716154 646441625 /nfs/dbraw/zinc/44/16/25/646441625.db2.gz BRQDELJAQKYNTA-QWRGUYRKSA-N 2 0 225.336 -0.151 20 0 BBADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1COCC[NH2+]1 ZINC000925716155 646440741 /nfs/dbraw/zinc/44/07/41/646440741.db2.gz BRQDELJAQKYNTA-WDEREUQCSA-N 2 0 225.336 -0.151 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000925716674 646441563 /nfs/dbraw/zinc/44/15/63/646441563.db2.gz BPUZRQGXABBZTG-GHMZBOCLSA-N 2 0 227.352 -0.217 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000925716675 646440808 /nfs/dbraw/zinc/44/08/08/646440808.db2.gz BPUZRQGXABBZTG-MNOVXSKESA-N 2 0 227.352 -0.217 20 0 BBADRP C1C[C@@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[NH2+]1 ZINC000925716760 646441611 /nfs/dbraw/zinc/44/16/11/646441611.db2.gz CHUJDWBFWVOGLH-IFGRULIISA-N 2 0 207.321 -0.066 20 0 BBADRP C1C[C@@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C[NH2+]1 ZINC000925716762 646440314 /nfs/dbraw/zinc/44/03/14/646440314.db2.gz CHUJDWBFWVOGLH-NEJQNHLGSA-N 2 0 207.321 -0.066 20 0 BBADRP C1C[C@@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C[NH2+]1 ZINC000925716966 646441073 /nfs/dbraw/zinc/44/10/73/646441073.db2.gz CHUJDWBFWVOGLH-ZXZMWMBJSA-N 2 0 207.321 -0.066 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000925717453 646442542 /nfs/dbraw/zinc/44/25/42/646442542.db2.gz JUUBSAYCUUVMFY-NXEZZACHSA-N 2 0 213.325 -0.295 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000925717455 646443138 /nfs/dbraw/zinc/44/31/38/646443138.db2.gz JUUBSAYCUUVMFY-UWVGGRQHSA-N 2 0 213.325 -0.295 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000925717457 646442071 /nfs/dbraw/zinc/44/20/71/646442071.db2.gz JUUBSAYCUUVMFY-VHSXEESVSA-N 2 0 213.325 -0.295 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000925717458 646441188 /nfs/dbraw/zinc/44/11/88/646441188.db2.gz JUUBSAYCUUVMFY-ZJUUUORDSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000925717536 646443233 /nfs/dbraw/zinc/44/32/33/646443233.db2.gz HVEKBMVRPSWEHN-IJLUTSLNSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000925717537 646442352 /nfs/dbraw/zinc/44/23/52/646442352.db2.gz HVEKBMVRPSWEHN-QJPTWQEYSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000925717538 646442639 /nfs/dbraw/zinc/44/26/39/646442639.db2.gz HVEKBMVRPSWEHN-TUAOUCFPSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000925717539 646442273 /nfs/dbraw/zinc/44/22/73/646442273.db2.gz HVEKBMVRPSWEHN-UTUOFQBUSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000925718053 646442188 /nfs/dbraw/zinc/44/21/88/646442188.db2.gz NADIYRXVFNJBKE-AXFHLTTASA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000925718200 646442624 /nfs/dbraw/zinc/44/26/24/646442624.db2.gz NADIYRXVFNJBKE-DCAQKATOSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000925718202 646442574 /nfs/dbraw/zinc/44/25/74/646442574.db2.gz NADIYRXVFNJBKE-GARJFASQSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000925718204 646443319 /nfs/dbraw/zinc/44/33/19/646443319.db2.gz NADIYRXVFNJBKE-HBNTYKKESA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C[NH2+]1 ZINC000925718214 711713532 /nfs/dbraw/zinc/71/35/32/711713532.db2.gz NDNXERKTCWJBEH-GMTAPVOTSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C[NH2+]1 ZINC000925718216 711713382 /nfs/dbraw/zinc/71/33/82/711713382.db2.gz NDNXERKTCWJBEH-MXWKQRLJSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C[NH2+]1 ZINC000925718217 711713540 /nfs/dbraw/zinc/71/35/40/711713540.db2.gz NDNXERKTCWJBEH-OUAUKWLOSA-N 2 0 213.325 -0.295 20 0 BBADRP C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C[NH2+]1 ZINC000925718219 711713657 /nfs/dbraw/zinc/71/36/57/711713657.db2.gz NDNXERKTCWJBEH-VWYCJHECSA-N 2 0 213.325 -0.295 20 0 BBADRP C[NH2+]C[C@H](C)[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925718448 646442228 /nfs/dbraw/zinc/44/22/28/646442228.db2.gz WQDWPFPVNRGWGN-HGCLJGPKSA-N 3 0 227.352 -0.064 20 0 BBADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925718450 646442674 /nfs/dbraw/zinc/44/26/74/646442674.db2.gz WQDWPFPVNRGWGN-HHHUOAJASA-N 3 0 227.352 -0.064 20 0 BBADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925718451 646442138 /nfs/dbraw/zinc/44/21/38/646442138.db2.gz WQDWPFPVNRGWGN-PREPNJAASA-N 3 0 227.352 -0.064 20 0 BBADRP C[NH2+]C[C@H](C)[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925718462 646442698 /nfs/dbraw/zinc/44/26/98/646442698.db2.gz WQDWPFPVNRGWGN-SVNGYHJRSA-N 3 0 227.352 -0.064 20 0 BBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925718486 646442685 /nfs/dbraw/zinc/44/26/85/646442685.db2.gz JLSCNFKIQBDDAV-HBVUFRJMSA-N 2 0 235.331 -0.164 20 0 BBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925718491 646443269 /nfs/dbraw/zinc/44/32/69/646443269.db2.gz JLSCNFKIQBDDAV-ZVAYHSMLSA-N 2 0 235.331 -0.164 20 0 BBADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925718493 646441910 /nfs/dbraw/zinc/44/19/10/646441910.db2.gz JLSCNFKIQBDDAV-ZWYQGIKHSA-N 2 0 235.331 -0.164 20 0 BBADRP [NH3+]CCCOCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925718587 646442029 /nfs/dbraw/zinc/44/20/29/646442029.db2.gz NUKRXUSNONNJFE-JZRPKSSGSA-N 2 0 239.363 -0.062 20 0 BBADRP [NH3+]CCCOCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925718588 646443068 /nfs/dbraw/zinc/44/30/68/646443068.db2.gz NUKRXUSNONNJFE-NWBUJAPZSA-N 2 0 239.363 -0.062 20 0 BBADRP [NH3+]CCCOCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925718589 646442523 /nfs/dbraw/zinc/44/25/23/646442523.db2.gz NUKRXUSNONNJFE-OBPIAQAESA-N 2 0 239.363 -0.062 20 0 BBADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2)C12CCC2 ZINC000925718620 711714716 /nfs/dbraw/zinc/71/47/16/711714716.db2.gz ORBYGJIIWUUASW-AXFHLTTASA-N 2 0 225.336 -0.166 20 0 BBADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2)C12CCC2 ZINC000925718621 711714671 /nfs/dbraw/zinc/71/46/71/711714671.db2.gz ORBYGJIIWUUASW-GMTAPVOTSA-N 2 0 225.336 -0.166 20 0 BBADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2)C12CCC2 ZINC000925718622 711714677 /nfs/dbraw/zinc/71/46/77/711714677.db2.gz ORBYGJIIWUUASW-HBNTYKKESA-N 2 0 225.336 -0.166 20 0 BBADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2)C12CCC2 ZINC000925718623 711714634 /nfs/dbraw/zinc/71/46/34/711714634.db2.gz ORBYGJIIWUUASW-MXWKQRLJSA-N 2 0 225.336 -0.166 20 0 BBADRP C[NH2+]CCOCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925718979 646444598 /nfs/dbraw/zinc/44/45/98/646444598.db2.gz LKHRALGLFLIOPP-GHMZBOCLSA-N 2 0 215.341 -0.048 20 0 BBADRP C[NH2+]CCOCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925718980 646444661 /nfs/dbraw/zinc/44/46/61/646444661.db2.gz LKHRALGLFLIOPP-MNOVXSKESA-N 2 0 215.341 -0.048 20 0 BBADRP C[NH2+]CCOCCN[C@H]1CCC[NH2+][C@H]1C ZINC000925718981 646444398 /nfs/dbraw/zinc/44/43/98/646444398.db2.gz LKHRALGLFLIOPP-QWRGUYRKSA-N 2 0 215.341 -0.048 20 0 BBADRP C[NH2+]CCOCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925718982 646443996 /nfs/dbraw/zinc/44/39/96/646443996.db2.gz LKHRALGLFLIOPP-WDEREUQCSA-N 2 0 215.341 -0.048 20 0 BBADRP C[NH2+]CCOCCN[C@H]1CC[NH2+]C1(C)C ZINC000925719212 711715292 /nfs/dbraw/zinc/71/52/92/711715292.db2.gz MGICSJROJFWSJI-JTQLQIEISA-N 2 0 215.341 -0.048 20 0 BBADRP C[NH2+]CCOCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925719213 711715250 /nfs/dbraw/zinc/71/52/50/711715250.db2.gz MGICSJROJFWSJI-SNVBAGLBSA-N 2 0 215.341 -0.048 20 0 BBADRP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C12CCC2 ZINC000925720140 646444411 /nfs/dbraw/zinc/44/44/11/646444411.db2.gz WZFAERGPRGAYGB-GRYCIOLGSA-N 2 0 239.363 -0.088 20 0 BBADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C12CCC2 ZINC000925720141 646444653 /nfs/dbraw/zinc/44/46/53/646444653.db2.gz WZFAERGPRGAYGB-IJLUTSLNSA-N 2 0 239.363 -0.088 20 0 BBADRP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)C12CCC2 ZINC000925720142 646444497 /nfs/dbraw/zinc/44/44/97/646444497.db2.gz WZFAERGPRGAYGB-UTUOFQBUSA-N 2 0 239.363 -0.088 20 0 BBADRP [NH3+][C@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)C12CCC2 ZINC000925720143 646443962 /nfs/dbraw/zinc/44/39/62/646443962.db2.gz WZFAERGPRGAYGB-WOPDTQHZSA-N 2 0 239.363 -0.088 20 0 BBADRP O[C@@H]1CC[N@H+](CCN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925720286 646444366 /nfs/dbraw/zinc/44/43/66/646444366.db2.gz YMSZQLORGLFYNE-NEPJUHHUSA-N 2 0 239.363 -0.073 20 0 BBADRP O[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925720287 646444840 /nfs/dbraw/zinc/44/48/40/646444840.db2.gz YMSZQLORGLFYNE-VXGBXAGGSA-N 2 0 239.363 -0.073 20 0 BBADRP C[NH2+]CCOCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925720419 646445826 /nfs/dbraw/zinc/44/58/26/646445826.db2.gz SPZWMPQQZJYQMK-JZRPKSSGSA-N 2 0 239.363 -0.192 20 0 BBADRP C[NH2+]CCOCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925720422 646446137 /nfs/dbraw/zinc/44/61/37/646446137.db2.gz SPZWMPQQZJYQMK-NWBUJAPZSA-N 2 0 239.363 -0.192 20 0 BBADRP C[NH2+]CCOCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925720423 646446702 /nfs/dbraw/zinc/44/67/02/646446702.db2.gz SPZWMPQQZJYQMK-OBPIAQAESA-N 2 0 239.363 -0.192 20 0 BBADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1COCC[NH2+]1 ZINC000925720572 646446756 /nfs/dbraw/zinc/44/67/56/646446756.db2.gz ZHZDTDIOFUIHQB-LIBFEPKXSA-N 2 0 237.347 -0.439 20 0 BBADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1COCC[NH2+]1 ZINC000925720573 646446028 /nfs/dbraw/zinc/44/60/28/646446028.db2.gz ZHZDTDIOFUIHQB-MCDVFOBDSA-N 2 0 237.347 -0.439 20 0 BBADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1COCC[NH2+]1 ZINC000925720574 646445983 /nfs/dbraw/zinc/44/59/83/646445983.db2.gz ZHZDTDIOFUIHQB-RJRAAQABSA-N 2 0 237.347 -0.439 20 0 BBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000925720655 646445614 /nfs/dbraw/zinc/44/56/14/646445614.db2.gz ZHLVSUBGMDRNLO-IIRVCBMXSA-N 3 0 225.336 -0.310 20 0 BBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000925720656 646445900 /nfs/dbraw/zinc/44/59/00/646445900.db2.gz ZHLVSUBGMDRNLO-YBXAARCKSA-N 3 0 225.336 -0.310 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925721056 646446779 /nfs/dbraw/zinc/44/67/79/646446779.db2.gz XMVZDGZMHIGLMZ-GARJFASQSA-N 2 0 213.325 -0.295 20 0 BBADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925721057 646446031 /nfs/dbraw/zinc/44/60/31/646446031.db2.gz XMVZDGZMHIGLMZ-OUAUKWLOSA-N 2 0 213.325 -0.295 20 0 BBADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1C[NH2+]CCOC1 ZINC000925723000 646447388 /nfs/dbraw/zinc/44/73/88/646447388.db2.gz NHMPJUNEAGBXKI-GHMZBOCLSA-N 2 0 225.336 -0.151 20 0 BBADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1C[NH2+]CCOC1 ZINC000925723001 646448473 /nfs/dbraw/zinc/44/84/73/646448473.db2.gz NHMPJUNEAGBXKI-MNOVXSKESA-N 2 0 225.336 -0.151 20 0 BBADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1C[NH2+]CCOC1 ZINC000925723002 646448693 /nfs/dbraw/zinc/44/86/93/646448693.db2.gz NHMPJUNEAGBXKI-QWRGUYRKSA-N 2 0 225.336 -0.151 20 0 BBADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1C[NH2+]CCOC1 ZINC000925723003 646447862 /nfs/dbraw/zinc/44/78/62/646447862.db2.gz NHMPJUNEAGBXKI-WDEREUQCSA-N 2 0 225.336 -0.151 20 0 BBADRP CC1(C)[NH2+]CC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000925723579 646448489 /nfs/dbraw/zinc/44/84/89/646448489.db2.gz BPUZRQGXABBZTG-QWRGUYRKSA-N 2 0 227.352 -0.217 20 0 BBADRP CC1(C)[NH2+]CC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000925723581 646448119 /nfs/dbraw/zinc/44/81/19/646448119.db2.gz BPUZRQGXABBZTG-WDEREUQCSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000925724149 646449323 /nfs/dbraw/zinc/44/93/23/646449323.db2.gz HVEKBMVRPSWEHN-GRYCIOLGSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000925724150 646449140 /nfs/dbraw/zinc/44/91/40/646449140.db2.gz HVEKBMVRPSWEHN-SDDRHHMPSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000925724151 646450293 /nfs/dbraw/zinc/45/02/93/646450293.db2.gz HVEKBMVRPSWEHN-SRVKXCTJSA-N 2 0 227.352 -0.217 20 0 BBADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@@H+]1CC[C@H](O)C1 ZINC000925724152 646450789 /nfs/dbraw/zinc/45/07/89/646450789.db2.gz HVEKBMVRPSWEHN-WOPDTQHZSA-N 2 0 227.352 -0.217 20 0 BBADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)C12CCC2 ZINC000925725842 634515625 /nfs/dbraw/zinc/51/56/25/634515625.db2.gz WZFAERGPRGAYGB-QJPTWQEYSA-N 2 0 239.363 -0.088 20 0 BBADRP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)C12CCC2 ZINC000925725843 634514833 /nfs/dbraw/zinc/51/48/33/634514833.db2.gz WZFAERGPRGAYGB-SDDRHHMPSA-N 2 0 239.363 -0.088 20 0 BBADRP [NH3+][C@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)C12CCC2 ZINC000925725844 634514667 /nfs/dbraw/zinc/51/46/67/634514667.db2.gz WZFAERGPRGAYGB-SRVKXCTJSA-N 2 0 239.363 -0.088 20 0 BBADRP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)C12CCC2 ZINC000925726012 634514155 /nfs/dbraw/zinc/51/41/55/634514155.db2.gz WZFAERGPRGAYGB-TUAOUCFPSA-N 2 0 239.363 -0.088 20 0 BBADRP O[C@H]1CC[N@H+](CCN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925726095 646451682 /nfs/dbraw/zinc/45/16/82/646451682.db2.gz YMSZQLORGLFYNE-NWDGAFQWSA-N 2 0 239.363 -0.073 20 0 BBADRP O[C@H]1CC[N@H+](CCN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925726096 646451032 /nfs/dbraw/zinc/45/10/32/646451032.db2.gz YMSZQLORGLFYNE-RYUDHWBXSA-N 2 0 239.363 -0.073 20 0 BBADRP O[C@H]1C[C@H](C[NH2+][C@H]2CNCCOC2)C1 ZINC000925728733 646453759 /nfs/dbraw/zinc/45/37/59/646453759.db2.gz HFRNMMOGQSAACU-GUBZILKMSA-N 2 0 200.282 -0.665 20 0 BBADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CNCCOC2)C1 ZINC000925728734 646453836 /nfs/dbraw/zinc/45/38/36/646453836.db2.gz HFRNMMOGQSAACU-OPRDCNLKSA-N 2 0 200.282 -0.665 20 0 BBADRP C[C@H]([NH2+][C@@H]1CNCCOC1)C1CC[NH2+]CC1 ZINC000925729749 646454023 /nfs/dbraw/zinc/45/40/23/646454023.db2.gz RNUXQRCDVLAVSH-CMPLNLGQSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@H]([NH2+][C@H]1CNCCOC1)C1CC[NH2+]CC1 ZINC000925729751 646454611 /nfs/dbraw/zinc/45/46/11/646454611.db2.gz RNUXQRCDVLAVSH-JQWIXIFHSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]([NH2+][C@H]1CNCCOC1)C1CC[NH2+]CC1 ZINC000925729752 646454171 /nfs/dbraw/zinc/45/41/71/646454171.db2.gz RNUXQRCDVLAVSH-PWSUYJOCSA-N 2 0 227.352 -0.048 20 0 BBADRP C[C@@H]([NH2+][C@@H]1CNCCOC1)C1CC[NH2+]CC1 ZINC000925729754 646453232 /nfs/dbraw/zinc/45/32/32/646453232.db2.gz RNUXQRCDVLAVSH-ZYHUDNBSSA-N 2 0 227.352 -0.048 20 0 BBADRP CC(C)([NH3+])CCN[C@@H]1C[NH2+]CCOC1 ZINC000925738742 646462004 /nfs/dbraw/zinc/46/20/04/646462004.db2.gz XLBSKCIHNMJYIG-SECBINFHSA-N 2 0 201.314 -0.308 20 0 BBADRP CC(C)([NH3+])CCN[C@H]1C[NH2+]CCOC1 ZINC000925738743 646438948 /nfs/dbraw/zinc/43/89/48/646438948.db2.gz XLBSKCIHNMJYIG-VIFPVBQESA-N 2 0 201.314 -0.308 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925738982 646462066 /nfs/dbraw/zinc/46/20/66/646462066.db2.gz YWFHTAXTEMAAJT-NXEZZACHSA-N 2 0 243.351 -0.003 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925738983 646462829 /nfs/dbraw/zinc/46/28/29/646462829.db2.gz YWFHTAXTEMAAJT-UWVGGRQHSA-N 2 0 243.351 -0.003 20 0 BBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925738985 646462038 /nfs/dbraw/zinc/46/20/38/646462038.db2.gz YWFHTAXTEMAAJT-VHSXEESVSA-N 2 0 243.351 -0.003 20 0 BBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925738989 646462847 /nfs/dbraw/zinc/46/28/47/646462847.db2.gz YWFHTAXTEMAAJT-ZJUUUORDSA-N 2 0 243.351 -0.003 20 0 BBADRP Nc1cc[nH+]c(CN[C@@H]2C[NH2+]CCOC2)c1 ZINC000925768104 646469582 /nfs/dbraw/zinc/46/95/82/646469582.db2.gz SPXIMIXJROQCOF-LLVKDONJSA-N 2 0 222.292 -0.258 20 0 BBADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925776084 646475585 /nfs/dbraw/zinc/47/55/85/646475585.db2.gz CQHJSSXUXSUQEY-GHMZBOCLSA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925776085 646474987 /nfs/dbraw/zinc/47/49/87/646474987.db2.gz CQHJSSXUXSUQEY-MNOVXSKESA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925776086 646475474 /nfs/dbraw/zinc/47/54/74/646475474.db2.gz CQHJSSXUXSUQEY-QWRGUYRKSA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925776087 646476124 /nfs/dbraw/zinc/47/61/24/646476124.db2.gz CQHJSSXUXSUQEY-WDEREUQCSA-N 2 0 240.351 -0.011 20 0 BBADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC000925776381 635255706 /nfs/dbraw/zinc/25/57/06/635255706.db2.gz FSPMZCDFFHUHKF-NXEZZACHSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC000925776382 635255180 /nfs/dbraw/zinc/25/51/80/635255180.db2.gz FSPMZCDFFHUHKF-UWVGGRQHSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC000925776383 635256050 /nfs/dbraw/zinc/25/60/50/635256050.db2.gz FSPMZCDFFHUHKF-VHSXEESVSA-N 2 0 238.335 -0.129 20 0 BBADRP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC000925776384 635256371 /nfs/dbraw/zinc/25/63/71/635256371.db2.gz FSPMZCDFFHUHKF-ZJUUUORDSA-N 2 0 238.335 -0.129 20 0 BBADRP C[C@@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCC[NH2+]C1 ZINC000925776385 635254146 /nfs/dbraw/zinc/25/41/46/635254146.db2.gz FTRHEXILQNHWRO-GHMZBOCLSA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@@H]([NH2+]CCN1CCNC1=O)[C@H]1CCC[NH2+]C1 ZINC000925776386 635253529 /nfs/dbraw/zinc/25/35/29/635253529.db2.gz FTRHEXILQNHWRO-MNOVXSKESA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@H]([NH2+]CCN1CCNC1=O)[C@H]1CCC[NH2+]C1 ZINC000925776387 635251986 /nfs/dbraw/zinc/25/19/86/635251986.db2.gz FTRHEXILQNHWRO-QWRGUYRKSA-N 2 0 240.351 -0.011 20 0 BBADRP C[C@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCC[NH2+]C1 ZINC000925776388 635253567 /nfs/dbraw/zinc/25/35/67/635253567.db2.gz FTRHEXILQNHWRO-WDEREUQCSA-N 2 0 240.351 -0.011 20 0 BBADRP O=C1NCCN1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925776442 646474859 /nfs/dbraw/zinc/47/48/59/646474859.db2.gz GSOXGDIYAFZNFT-JTQLQIEISA-N 2 0 226.324 -0.257 20 0 BBADRP O=C1NCCN1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925776443 646475732 /nfs/dbraw/zinc/47/57/32/646475732.db2.gz GSOXGDIYAFZNFT-SNVBAGLBSA-N 2 0 226.324 -0.257 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925778044 646476259 /nfs/dbraw/zinc/47/62/59/646476259.db2.gz BEXPWZFRNWIUGQ-LYUGOTMTSA-N 3 0 239.363 -0.064 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925778045 646475169 /nfs/dbraw/zinc/47/51/69/646475169.db2.gz BEXPWZFRNWIUGQ-OJEZURLMSA-N 3 0 239.363 -0.064 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925778046 646474615 /nfs/dbraw/zinc/47/46/15/646474615.db2.gz BEXPWZFRNWIUGQ-PQCBQTOFSA-N 3 0 239.363 -0.064 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925778047 646476050 /nfs/dbraw/zinc/47/60/50/646476050.db2.gz BEXPWZFRNWIUGQ-QXMWZZNTSA-N 3 0 239.363 -0.064 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000925778377 646474444 /nfs/dbraw/zinc/47/44/44/646474444.db2.gz VBYPGWJFVBECCH-NXEZZACHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000925778378 646476112 /nfs/dbraw/zinc/47/61/12/646476112.db2.gz VBYPGWJFVBECCH-UWVGGRQHSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000925778379 646475445 /nfs/dbraw/zinc/47/54/45/646475445.db2.gz VBYPGWJFVBECCH-VHSXEESVSA-N 2 0 226.324 -0.129 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000925778380 646474742 /nfs/dbraw/zinc/47/47/42/646474742.db2.gz VBYPGWJFVBECCH-ZJUUUORDSA-N 2 0 226.324 -0.129 20 0 BBADRP C[C@@H]([NH2+]CCN1CCNC1=O)[C@@H]1CC[NH2+]C1 ZINC000925778398 635264451 /nfs/dbraw/zinc/26/44/51/635264451.db2.gz VPXRJRJMWVNIBL-NXEZZACHSA-N 2 0 226.324 -0.401 20 0 BBADRP C[C@H]([NH2+]CCN1CCNC1=O)[C@H]1CC[NH2+]C1 ZINC000925778399 635265404 /nfs/dbraw/zinc/26/54/04/635265404.db2.gz VPXRJRJMWVNIBL-UWVGGRQHSA-N 2 0 226.324 -0.401 20 0 BBADRP C[C@H]([NH2+]CCN1CCNC1=O)[C@@H]1CC[NH2+]C1 ZINC000925778546 635264709 /nfs/dbraw/zinc/26/47/09/635264709.db2.gz VPXRJRJMWVNIBL-VHSXEESVSA-N 2 0 226.324 -0.401 20 0 BBADRP C[C@@H]([NH2+]CCN1CCNC1=O)[C@H]1CC[NH2+]C1 ZINC000925778547 635268107 /nfs/dbraw/zinc/26/81/07/635268107.db2.gz VPXRJRJMWVNIBL-ZJUUUORDSA-N 2 0 226.324 -0.401 20 0 BBADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CCNC1=O ZINC000925778605 646477341 /nfs/dbraw/zinc/47/73/41/646477341.db2.gz VYZFSTZGKPTQLQ-BDAKNGLRSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCNC1=O ZINC000925778607 646477548 /nfs/dbraw/zinc/47/75/48/646477548.db2.gz VYZFSTZGKPTQLQ-DTWKUNHWSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCNC1=O ZINC000925778609 646477957 /nfs/dbraw/zinc/47/79/57/646477957.db2.gz VYZFSTZGKPTQLQ-IUCAKERBSA-N 2 0 214.313 -0.273 20 0 BBADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCNC1=O ZINC000925778612 646476663 /nfs/dbraw/zinc/47/66/63/646476663.db2.gz VYZFSTZGKPTQLQ-RKDXNWHRSA-N 2 0 214.313 -0.273 20 0 BBADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925778926 646477268 /nfs/dbraw/zinc/47/72/68/646477268.db2.gz YJKSHVUNLZJFTN-NXEZZACHSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925778928 646464664 /nfs/dbraw/zinc/46/46/64/646464664.db2.gz YJKSHVUNLZJFTN-UWVGGRQHSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925778930 646463921 /nfs/dbraw/zinc/46/39/21/646463921.db2.gz YJKSHVUNLZJFTN-VHSXEESVSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925778931 646464825 /nfs/dbraw/zinc/46/48/25/646464825.db2.gz YJKSHVUNLZJFTN-ZJUUUORDSA-N 2 0 226.324 -0.271 20 0 BBADRP [NH3+]C1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000925779041 646477238 /nfs/dbraw/zinc/47/72/38/646477238.db2.gz ZERTXJFSPUIACQ-UHFFFAOYSA-N 2 0 226.324 -0.129 20 0 BBADRP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925779676 646476807 /nfs/dbraw/zinc/47/68/07/646476807.db2.gz ZHXKHVVVPDOXDC-NXEZZACHSA-N 2 0 249.305 -0.191 20 0 BBADRP FC1(F)CC[NH2+]C[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925779677 646477823 /nfs/dbraw/zinc/47/78/23/646477823.db2.gz ZHXKHVVVPDOXDC-UWVGGRQHSA-N 2 0 249.305 -0.191 20 0 BBADRP FC1(F)CC[NH2+]C[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925779678 711747975 /nfs/dbraw/zinc/74/79/75/711747975.db2.gz ZHXKHVVVPDOXDC-VHSXEESVSA-N 2 0 249.305 -0.191 20 0 BBADRP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925779679 711747967 /nfs/dbraw/zinc/74/79/67/711747967.db2.gz ZHXKHVVVPDOXDC-ZJUUUORDSA-N 2 0 249.305 -0.191 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925782893 646479570 /nfs/dbraw/zinc/47/95/70/646479570.db2.gz IHZMVPSYWVFZIL-FOUMNBMASA-N 2 0 239.363 -0.049 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925782896 646479243 /nfs/dbraw/zinc/47/92/43/646479243.db2.gz IHZMVPSYWVFZIL-JHEVNIALSA-N 2 0 239.363 -0.049 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925782897 646479853 /nfs/dbraw/zinc/47/98/53/646479853.db2.gz IHZMVPSYWVFZIL-OJAKKHQRSA-N 2 0 239.363 -0.049 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925782900 646479543 /nfs/dbraw/zinc/47/95/43/646479543.db2.gz IHZMVPSYWVFZIL-XEZLXBQYSA-N 2 0 239.363 -0.049 20 0 BBADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783659 635293493 /nfs/dbraw/zinc/29/34/93/635293493.db2.gz KOOLXRBWSYZKNO-DDHJBXDOSA-N 2 0 227.352 -0.049 20 0 BBADRP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783663 635291728 /nfs/dbraw/zinc/29/17/28/635291728.db2.gz KOOLXRBWSYZKNO-NOOOWODRSA-N 2 0 227.352 -0.049 20 0 BBADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783666 635293964 /nfs/dbraw/zinc/29/39/64/635293964.db2.gz KOOLXRBWSYZKNO-WISYIIOYSA-N 2 0 227.352 -0.049 20 0 BBADRP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783669 635291758 /nfs/dbraw/zinc/29/17/58/635291758.db2.gz KOOLXRBWSYZKNO-WRWGMCAJSA-N 2 0 227.352 -0.049 20 0 BBADRP COC[C@@H](CCC[NH3+])N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783857 646478710 /nfs/dbraw/zinc/47/87/10/646478710.db2.gz LLFVVGJYJUWOTL-GMTAPVOTSA-N 2 0 215.341 -0.062 20 0 BBADRP COC[C@H](CCC[NH3+])N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783860 646479832 /nfs/dbraw/zinc/47/98/32/646479832.db2.gz LLFVVGJYJUWOTL-OUAUKWLOSA-N 2 0 215.341 -0.062 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925785045 646481027 /nfs/dbraw/zinc/48/10/27/646481027.db2.gz IVOVRWHLWQNLTQ-OUAUKWLOSA-N 2 0 213.325 -0.580 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925785053 646481547 /nfs/dbraw/zinc/48/15/47/646481547.db2.gz IVOVRWHLWQNLTQ-VWYCJHECSA-N 2 0 213.325 -0.580 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CNCCOC1 ZINC000925793491 646485018 /nfs/dbraw/zinc/48/50/18/646485018.db2.gz IRIVXRJBZKMGGT-IJLUTSLNSA-N 2 0 227.352 -0.190 20 0 BBADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CNCCOC1 ZINC000925793493 646485376 /nfs/dbraw/zinc/48/53/76/646485376.db2.gz IRIVXRJBZKMGGT-UTUOFQBUSA-N 2 0 227.352 -0.190 20 0 BBADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813877 646491503 /nfs/dbraw/zinc/49/15/03/646491503.db2.gz CWZBEETYRYMVLU-AAEUAGOBSA-N 2 0 240.395 -0.051 20 0 BBADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813878 646492813 /nfs/dbraw/zinc/49/28/13/646492813.db2.gz CWZBEETYRYMVLU-DGCLKSJQSA-N 2 0 240.395 -0.051 20 0 BBADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813879 646492047 /nfs/dbraw/zinc/49/20/47/646492047.db2.gz CWZBEETYRYMVLU-WCQYABFASA-N 2 0 240.395 -0.051 20 0 BBADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813880 646491356 /nfs/dbraw/zinc/49/13/56/646491356.db2.gz CWZBEETYRYMVLU-YPMHNXCESA-N 2 0 240.395 -0.051 20 0 BBADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC000925815817 646491814 /nfs/dbraw/zinc/49/18/14/646491814.db2.gz AIRHYBPLYSCQRT-NEPJUHHUSA-N 3 0 240.395 -0.003 20 0 BBADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CC[NH2+]C1 ZINC000925815818 646492893 /nfs/dbraw/zinc/49/28/93/646492893.db2.gz AIRHYBPLYSCQRT-NWDGAFQWSA-N 3 0 240.395 -0.003 20 0 BBADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC000925815819 646491919 /nfs/dbraw/zinc/49/19/19/646491919.db2.gz AIRHYBPLYSCQRT-RYUDHWBXSA-N 3 0 240.395 -0.003 20 0 BBADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CC[NH2+]C1 ZINC000925815820 646492869 /nfs/dbraw/zinc/49/28/69/646492869.db2.gz AIRHYBPLYSCQRT-VXGBXAGGSA-N 3 0 240.395 -0.003 20 0 BBADRP [NH3+]C1CCN(CCN[C@@H]2CC[NH2+]C2)CC1 ZINC000925816846 635387481 /nfs/dbraw/zinc/38/74/81/635387481.db2.gz KBNXMFLEYLDWHD-LLVKDONJSA-N 2 0 212.341 -0.639 20 0 BBADRP [NH3+]C1CCN(CCN[C@H]2CC[NH2+]C2)CC1 ZINC000925816847 635386466 /nfs/dbraw/zinc/38/64/66/635386466.db2.gz KBNXMFLEYLDWHD-NSHDSACASA-N 2 0 212.341 -0.639 20 0 BBADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817358 646494237 /nfs/dbraw/zinc/49/42/37/646494237.db2.gz QJENXPXVCZCBLH-NEPJUHHUSA-N 3 0 226.368 -0.121 20 0 BBADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817359 646493754 /nfs/dbraw/zinc/49/37/54/646493754.db2.gz QJENXPXVCZCBLH-NWDGAFQWSA-N 3 0 226.368 -0.121 20 0 BBADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817360 646494167 /nfs/dbraw/zinc/49/41/67/646494167.db2.gz QJENXPXVCZCBLH-RYUDHWBXSA-N 3 0 226.368 -0.121 20 0 BBADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817361 646493727 /nfs/dbraw/zinc/49/37/27/646493727.db2.gz QJENXPXVCZCBLH-VXGBXAGGSA-N 3 0 226.368 -0.121 20 0 BBADRP C[C@H]1CC[NH2+]C[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925818022 646493185 /nfs/dbraw/zinc/49/31/85/646493185.db2.gz YUAXAQJOZZINSX-AAEUAGOBSA-N 2 0 240.395 -0.003 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925818024 646493805 /nfs/dbraw/zinc/49/38/05/646493805.db2.gz YUAXAQJOZZINSX-DGCLKSJQSA-N 2 0 240.395 -0.003 20 0 BBADRP C[C@H]1CC[NH2+]C[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925818027 646494144 /nfs/dbraw/zinc/49/41/44/646494144.db2.gz YUAXAQJOZZINSX-WCQYABFASA-N 2 0 240.395 -0.003 20 0 BBADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925818030 646493967 /nfs/dbraw/zinc/49/39/67/646493967.db2.gz YUAXAQJOZZINSX-YPMHNXCESA-N 2 0 240.395 -0.003 20 0 BBADRP CCO[C@H](CN[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925841738 646508176 /nfs/dbraw/zinc/50/81/76/646508176.db2.gz STEVQWHDCPULAM-GHMZBOCLSA-N 2 0 215.341 -0.095 20 0 BBADRP CCO[C@@H](CN[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925841739 646507755 /nfs/dbraw/zinc/50/77/55/646507755.db2.gz STEVQWHDCPULAM-MNOVXSKESA-N 2 0 215.341 -0.095 20 0 BBADRP CCO[C@@H](CN[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925841740 646507775 /nfs/dbraw/zinc/50/77/75/646507775.db2.gz STEVQWHDCPULAM-QWRGUYRKSA-N 2 0 215.341 -0.095 20 0 BBADRP CCO[C@H](CN[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925841741 646508694 /nfs/dbraw/zinc/50/86/94/646508694.db2.gz STEVQWHDCPULAM-WDEREUQCSA-N 2 0 215.341 -0.095 20 0 BBADRP CCO[C@@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+](C)C ZINC000925841923 646506955 /nfs/dbraw/zinc/50/69/55/646506955.db2.gz VAWCOMCZCVVPCR-NEPJUHHUSA-N 2 0 245.367 -0.469 20 0 BBADRP CCO[C@H](CN[C@H]1C[NH2+]CCOC1)C[NH+](C)C ZINC000925841924 646506942 /nfs/dbraw/zinc/50/69/42/646506942.db2.gz VAWCOMCZCVVPCR-NWDGAFQWSA-N 2 0 245.367 -0.469 20 0 BBADRP CCO[C@@H](CN[C@H]1C[NH2+]CCOC1)C[NH+](C)C ZINC000925841925 646506373 /nfs/dbraw/zinc/50/63/73/646506373.db2.gz VAWCOMCZCVVPCR-RYUDHWBXSA-N 2 0 245.367 -0.469 20 0 BBADRP CCO[C@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+](C)C ZINC000925841926 646507802 /nfs/dbraw/zinc/50/78/02/646507802.db2.gz VAWCOMCZCVVPCR-VXGBXAGGSA-N 2 0 245.367 -0.469 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CNOC1 ZINC000925858364 635549077 /nfs/dbraw/zinc/54/90/77/635549077.db2.gz AWBSGQCZIQOKNI-DTWKUNHWSA-N 2 0 203.286 -0.767 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CNOC1 ZINC000925858376 635549824 /nfs/dbraw/zinc/54/98/24/635549824.db2.gz AWBSGQCZIQOKNI-RKDXNWHRSA-N 2 0 203.286 -0.767 20 0 BBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@@H]1CNOC1 ZINC000925859167 646512304 /nfs/dbraw/zinc/51/23/04/646512304.db2.gz FSGAQQDTKZIUJK-KJPMQGKISA-N 2 0 227.308 -0.768 20 0 BBADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@@H]1CNOC1 ZINC000925859171 635553242 /nfs/dbraw/zinc/55/32/42/635553242.db2.gz FSGAQQDTKZIUJK-QGKZMRNZSA-N 2 0 227.308 -0.768 20 0 BBADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@@H]1CNOC1 ZINC000925859173 635554495 /nfs/dbraw/zinc/55/44/95/635554495.db2.gz FSGAQQDTKZIUJK-RCZSTQMZSA-N 2 0 227.308 -0.768 20 0 BBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@@H]1CNOC1 ZINC000925859174 635554696 /nfs/dbraw/zinc/55/46/96/635554696.db2.gz FSGAQQDTKZIUJK-ZKKRXERASA-N 2 0 227.308 -0.768 20 0 BBADRP C[C@@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CNOC1 ZINC000925859961 646513698 /nfs/dbraw/zinc/51/36/98/646513698.db2.gz LXKRVHZKJILQOS-IVZWLZJFSA-N 2 0 215.297 -0.754 20 0 BBADRP C[C@H](C[C@H]1COCCN1)[NH2+][C@@H]1CNOC1 ZINC000925859962 646513285 /nfs/dbraw/zinc/51/32/85/646513285.db2.gz LXKRVHZKJILQOS-KXUCPTDWSA-N 2 0 215.297 -0.754 20 0 BBADRP C[C@@H](C[C@H]1COCCN1)[NH2+][C@@H]1CNOC1 ZINC000925859963 646512188 /nfs/dbraw/zinc/51/21/88/646512188.db2.gz LXKRVHZKJILQOS-LPEHRKFASA-N 2 0 215.297 -0.754 20 0 BBADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CNOC1 ZINC000925859964 646512528 /nfs/dbraw/zinc/51/25/28/646512528.db2.gz LXKRVHZKJILQOS-OPRDCNLKSA-N 2 0 215.297 -0.754 20 0 BBADRP C1NOC[C@@H]1[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925860275 646513604 /nfs/dbraw/zinc/51/36/04/646513604.db2.gz ONTIDLZVXJQEIO-CHWFTXMASA-N 2 0 211.309 -0.133 20 0 BBADRP C1NOC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925860276 646513199 /nfs/dbraw/zinc/51/31/99/646513199.db2.gz ONTIDLZVXJQEIO-GWOFURMSSA-N 2 0 211.309 -0.133 20 0 BBADRP C1NOC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925860277 646512297 /nfs/dbraw/zinc/51/22/97/646512297.db2.gz ONTIDLZVXJQEIO-LMLFDSFASA-N 2 0 211.309 -0.133 20 0 BBADRP C1NOC[C@@H]1[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925860278 646513434 /nfs/dbraw/zinc/51/34/34/646513434.db2.gz ONTIDLZVXJQEIO-VPOLOUISSA-N 2 0 211.309 -0.133 20 0 BBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CNOC1 ZINC000925861274 646514359 /nfs/dbraw/zinc/51/43/59/646514359.db2.gz ZXTLTCZJFQOBLM-XJPIPGLHSA-N 2 0 211.309 -0.005 20 0 BBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@H]1CNOC1 ZINC000925863796 646516171 /nfs/dbraw/zinc/51/61/71/646516171.db2.gz FSGAQQDTKZIUJK-GEVSDDDWSA-N 2 0 227.308 -0.768 20 0 BBADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@H]1CNOC1 ZINC000925863798 646516306 /nfs/dbraw/zinc/51/63/06/646516306.db2.gz FSGAQQDTKZIUJK-HPENLJRUSA-N 2 0 227.308 -0.768 20 0 BBADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@H]1CNOC1 ZINC000925863800 646516152 /nfs/dbraw/zinc/51/61/52/646516152.db2.gz FSGAQQDTKZIUJK-SSRBZLIGSA-N 2 0 227.308 -0.768 20 0 BBADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@H]1CNOC1 ZINC000925863801 646516776 /nfs/dbraw/zinc/51/67/76/646516776.db2.gz FSGAQQDTKZIUJK-UNQZSWDGSA-N 2 0 227.308 -0.768 20 0 BBADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CNOC1 ZINC000925864771 635563524 /nfs/dbraw/zinc/56/35/24/635563524.db2.gz AWBSGQCZIQOKNI-BDAKNGLRSA-N 2 0 203.286 -0.767 20 0 BBADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CNOC1 ZINC000925864773 635563855 /nfs/dbraw/zinc/56/38/55/635563855.db2.gz AWBSGQCZIQOKNI-IUCAKERBSA-N 2 0 203.286 -0.767 20 0 BBADRP C1NOC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925865091 635564033 /nfs/dbraw/zinc/56/40/33/635564033.db2.gz ONTIDLZVXJQEIO-DBIOUOCHSA-N 2 0 211.309 -0.133 20 0 BBADRP C1NOC[C@H]1[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925865093 635563306 /nfs/dbraw/zinc/56/33/06/635563306.db2.gz ONTIDLZVXJQEIO-RCWTZXSCSA-N 2 0 211.309 -0.133 20 0 BBADRP C1NOC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925865095 635564039 /nfs/dbraw/zinc/56/40/39/635564039.db2.gz ONTIDLZVXJQEIO-YTWAJWBKSA-N 2 0 211.309 -0.133 20 0 BBADRP C1NOC[C@H]1[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925865096 635563780 /nfs/dbraw/zinc/56/37/80/635563780.db2.gz ONTIDLZVXJQEIO-ZNSHCXBVSA-N 2 0 211.309 -0.133 20 0 BBADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CNOC1 ZINC000925866879 635568180 /nfs/dbraw/zinc/56/81/80/635568180.db2.gz ZXTLTCZJFQOBLM-DYKAEWMKSA-N 2 0 211.309 -0.005 20 0 BBADRP C1C[C@H]([C@@H]2COCCN2)[C@@H]([NH2+][C@H]2CNOC2)C1 ZINC000925873726 646523704 /nfs/dbraw/zinc/52/37/04/646523704.db2.gz SHLCNKKNDDSPCF-BJDJZHNGSA-N 2 0 241.335 -0.364 20 0 BBADRP C1C[C@H]([C@H]2COCCN2)[C@@H]([NH2+][C@H]2CNOC2)C1 ZINC000925873728 646523792 /nfs/dbraw/zinc/52/37/92/646523792.db2.gz SHLCNKKNDDSPCF-FIQHERPVSA-N 2 0 241.335 -0.364 20 0 BBADRP C[C@H]([NH2+]CCO[C@@H]1CCOC1)C1C[NH2+]C1 ZINC000925874427 646526475 /nfs/dbraw/zinc/52/64/75/646526475.db2.gz JQJSYJHCQSEIQW-GXSJLCMTSA-N 2 0 214.309 -0.011 20 0 BBADRP C[C@@H]([NH2+]CCO[C@H]1CCOC1)C1C[NH2+]C1 ZINC000925874430 646526336 /nfs/dbraw/zinc/52/63/36/646526336.db2.gz JQJSYJHCQSEIQW-KOLCDFICSA-N 2 0 214.309 -0.011 20 0 BBADRP C[C@@H]([NH2+]CCO[C@@H]1CCOC1)C1C[NH2+]C1 ZINC000925874433 646526682 /nfs/dbraw/zinc/52/66/82/646526682.db2.gz JQJSYJHCQSEIQW-MWLCHTKSSA-N 2 0 214.309 -0.011 20 0 BBADRP C[C@H]([NH2+]CCO[C@H]1CCOC1)C1C[NH2+]C1 ZINC000925874434 646526383 /nfs/dbraw/zinc/52/63/83/646526383.db2.gz JQJSYJHCQSEIQW-ONGXEEELSA-N 2 0 214.309 -0.011 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CNCCOC2)C1 ZINC000925881157 646531180 /nfs/dbraw/zinc/53/11/80/646531180.db2.gz YHHSBUVNDKFNPK-AXFHLTTASA-N 2 0 213.325 -0.308 20 0 BBADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CNCCOC2)C1 ZINC000925881158 646529734 /nfs/dbraw/zinc/52/97/34/646529734.db2.gz YHHSBUVNDKFNPK-HBNTYKKESA-N 2 0 213.325 -0.308 20 0 BBADRP C[N@@H+]1CC[C@](O)(CN[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000926171715 646589180 /nfs/dbraw/zinc/58/91/80/646589180.db2.gz AJNSPHGVZOQZBZ-AVGNSLFASA-N 2 0 239.363 -0.263 20 0 BBADRP C[NH+](C)CCOCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926255488 631512871 /nfs/dbraw/zinc/51/28/71/631512871.db2.gz RMHSVCDBMBCNMX-JTQLQIEISA-N 2 0 243.351 -0.321 20 0 BBADRP C[NH+](C)CCOCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926255490 631513928 /nfs/dbraw/zinc/51/39/28/631513928.db2.gz RMHSVCDBMBCNMX-SNVBAGLBSA-N 2 0 243.351 -0.321 20 0 BBADRP CCO[C@H](CNC(=O)C(C)(C)[NH3+])C[NH+](C)C ZINC000927781216 645659589 /nfs/dbraw/zinc/65/95/89/645659589.db2.gz LRVKHBDQHYCARZ-SECBINFHSA-N 2 0 231.340 -0.193 20 0 BBADRP CCO[C@@H](CNC(=O)C(C)(C)[NH3+])C[NH+](C)C ZINC000927781217 645657980 /nfs/dbraw/zinc/65/79/80/645657980.db2.gz LRVKHBDQHYCARZ-VIFPVBQESA-N 2 0 231.340 -0.193 20 0 BBADRP CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000928551503 645806796 /nfs/dbraw/zinc/80/67/96/645806796.db2.gz OKYVVWKLIZHYSX-NXEZZACHSA-N 2 0 211.309 -0.099 20 0 BBADRP CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000928551504 645806627 /nfs/dbraw/zinc/80/66/27/645806627.db2.gz OKYVVWKLIZHYSX-UWVGGRQHSA-N 2 0 211.309 -0.099 20 0 BBADRP CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000928551505 645804740 /nfs/dbraw/zinc/80/47/40/645804740.db2.gz OKYVVWKLIZHYSX-VHSXEESVSA-N 2 0 211.309 -0.099 20 0 BBADRP CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000928551506 645805981 /nfs/dbraw/zinc/80/59/81/645805981.db2.gz OKYVVWKLIZHYSX-ZJUUUORDSA-N 2 0 211.309 -0.099 20 0 BBADRP C[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000928553002 645807898 /nfs/dbraw/zinc/80/78/98/645807898.db2.gz WQTXPEFPVURWPB-JTQLQIEISA-N 2 0 223.320 -0.098 20 0 BBADRP C[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000928553005 645807413 /nfs/dbraw/zinc/80/74/13/645807413.db2.gz WQTXPEFPVURWPB-SNVBAGLBSA-N 2 0 223.320 -0.098 20 0 BBADRP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000928558449 645816751 /nfs/dbraw/zinc/81/67/51/645816751.db2.gz ZJMNLQPLPPAVLI-NXEZZACHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000928558450 645817003 /nfs/dbraw/zinc/81/70/03/645817003.db2.gz ZJMNLQPLPPAVLI-UWVGGRQHSA-N 2 0 211.309 -0.242 20 0 BBADRP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000928558451 645815622 /nfs/dbraw/zinc/81/56/22/645815622.db2.gz ZJMNLQPLPPAVLI-VHSXEESVSA-N 2 0 211.309 -0.242 20 0 BBADRP C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000928558452 645816262 /nfs/dbraw/zinc/81/62/62/645816262.db2.gz ZJMNLQPLPPAVLI-ZJUUUORDSA-N 2 0 211.309 -0.242 20 0 BBADRP C[NH+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC000929163186 645982664 /nfs/dbraw/zinc/98/26/64/645982664.db2.gz ZFYFNTZEPQYYSA-UHFFFAOYSA-N 2 0 243.351 -0.225 20 0 BBADRP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCC1 ZINC000929311674 646073591 /nfs/dbraw/zinc/07/35/91/646073591.db2.gz FUZWPKBYHSBOLZ-AXFHLTTASA-N 2 0 226.320 -0.587 20 0 BBADRP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1(O)CCC1 ZINC000929311675 646074901 /nfs/dbraw/zinc/07/49/01/646074901.db2.gz FUZWPKBYHSBOLZ-GARJFASQSA-N 2 0 226.320 -0.587 20 0 BBADRP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1(O)CCC1 ZINC000929311676 646074313 /nfs/dbraw/zinc/07/43/13/646074313.db2.gz FUZWPKBYHSBOLZ-GMTAPVOTSA-N 2 0 226.320 -0.587 20 0 BBADRP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(O)CCC1 ZINC000929311677 644065742 /nfs/dbraw/zinc/06/57/42/644065742.db2.gz FUZWPKBYHSBOLZ-OUAUKWLOSA-N 2 0 226.320 -0.587 20 0 BBADRP C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637459 641380995 /nfs/dbraw/zinc/38/09/95/641380995.db2.gz IQTGNUKKFUCYSQ-AXFHLTTASA-N 2 0 216.325 -0.388 20 0 BBADRP C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637460 641381788 /nfs/dbraw/zinc/38/17/88/641381788.db2.gz IQTGNUKKFUCYSQ-DCAQKATOSA-N 2 0 216.325 -0.388 20 0 BBADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637461 641381116 /nfs/dbraw/zinc/38/11/16/641381116.db2.gz IQTGNUKKFUCYSQ-GARJFASQSA-N 2 0 216.325 -0.388 20 0 BBADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637462 641381570 /nfs/dbraw/zinc/38/15/70/641381570.db2.gz IQTGNUKKFUCYSQ-HBNTYKKESA-N 2 0 216.325 -0.388 20 0 BBADRP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)CO)CCN1C ZINC000929782513 641542925 /nfs/dbraw/zinc/54/29/25/641542925.db2.gz MSHRGDGXAKYBAM-AXFHLTTASA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CO)CCN1C ZINC000929782515 641542098 /nfs/dbraw/zinc/54/20/98/641542098.db2.gz MSHRGDGXAKYBAM-DCAQKATOSA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)CO)CCN1C ZINC000929782522 641542592 /nfs/dbraw/zinc/54/25/92/641542592.db2.gz MSHRGDGXAKYBAM-GARJFASQSA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CO)CCN1C ZINC000929782524 641541783 /nfs/dbraw/zinc/54/17/83/641541783.db2.gz MSHRGDGXAKYBAM-GMTAPVOTSA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)CO)CCN1C ZINC000929782869 641541054 /nfs/dbraw/zinc/54/10/54/641541054.db2.gz MSHRGDGXAKYBAM-HBNTYKKESA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CO)CCN1C ZINC000929782883 641540749 /nfs/dbraw/zinc/54/07/49/641540749.db2.gz MSHRGDGXAKYBAM-MXWKQRLJSA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CO)CCN1C ZINC000929782885 641540097 /nfs/dbraw/zinc/54/00/97/641540097.db2.gz MSHRGDGXAKYBAM-OUAUKWLOSA-N 2 0 216.325 -0.246 20 0 BBADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CO)CCN1C ZINC000929782888 641539864 /nfs/dbraw/zinc/53/98/64/641539864.db2.gz MSHRGDGXAKYBAM-VWYCJHECSA-N 2 0 216.325 -0.246 20 0 BBADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)CO)CC[C@H]21 ZINC000929848378 641762504 /nfs/dbraw/zinc/76/25/04/641762504.db2.gz RQLYIAKMLJHCRT-SDDRHHMPSA-N 2 0 228.336 -0.244 20 0 BBADRP Cc1nccn1CCC[N@@H+](C)C[C@@H](O)CO ZINC000930061443 646414816 /nfs/dbraw/zinc/41/48/16/646414816.db2.gz QWZIMWIYYNLQAJ-LLVKDONJSA-N 2 0 227.308 -0.133 20 0 BBADRP Cc1nccn1CCC[N@@H+](C)C[C@H](O)CO ZINC000930061444 646408966 /nfs/dbraw/zinc/40/89/66/646408966.db2.gz QWZIMWIYYNLQAJ-NSHDSACASA-N 2 0 227.308 -0.133 20 0 BBADRP CN(CCC[NH+]1CCCC1)C[C@@H](O)CO ZINC000930311028 639696230 /nfs/dbraw/zinc/69/62/30/639696230.db2.gz XEBGUQVRUGOJRY-LLVKDONJSA-N 2 0 216.325 -0.243 20 0 BBADRP CN(CCC[NH+]1CCCC1)C[C@H](O)CO ZINC000930311029 639695601 /nfs/dbraw/zinc/69/56/01/639695601.db2.gz XEBGUQVRUGOJRY-NSHDSACASA-N 2 0 216.325 -0.243 20 0 BBADRP CN(CCC[N@H+](C)C[C@@H](O)CO)CC[NH+](C)C ZINC000930501756 639785108 /nfs/dbraw/zinc/78/51/08/639785108.db2.gz GNZPRFDURMYXNJ-GFCCVEGCSA-N 2 0 247.383 -0.845 20 0 BBADRP CN(CCC[N@H+](C)C[C@H](O)CO)CC[NH+](C)C ZINC000930501757 639784257 /nfs/dbraw/zinc/78/42/57/639784257.db2.gz GNZPRFDURMYXNJ-LBPRGKRZSA-N 2 0 247.383 -0.845 20 0 BBADRP C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930559424 639811655 /nfs/dbraw/zinc/81/16/55/639811655.db2.gz UBUQOIAUZIWSOX-SRVKXCTJSA-N 2 0 228.336 -0.244 20 0 BBADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930559425 639811378 /nfs/dbraw/zinc/81/13/78/639811378.db2.gz UBUQOIAUZIWSOX-TUAOUCFPSA-N 2 0 228.336 -0.244 20 0 BBADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)CO)CCO2 ZINC000930823216 639922333 /nfs/dbraw/zinc/92/23/33/639922333.db2.gz FWACABOAFWMTDQ-LLVKDONJSA-N 2 0 244.335 -0.864 20 0 BBADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)CO)CCO2 ZINC000930823217 639923244 /nfs/dbraw/zinc/92/32/44/639923244.db2.gz FWACABOAFWMTDQ-NSHDSACASA-N 2 0 244.335 -0.864 20 0 BBADRP C[C@H](O)[C@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904695 639979419 /nfs/dbraw/zinc/97/94/19/639979419.db2.gz UWWGSFMKLKPOJG-QJPTWQEYSA-N 2 0 246.351 -0.883 20 0 BBADRP C[C@H](O)[C@@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904700 639978249 /nfs/dbraw/zinc/97/82/49/639978249.db2.gz UWWGSFMKLKPOJG-SDDRHHMPSA-N 2 0 246.351 -0.883 20 0 BBADRP C[C@H](O)[C@@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904701 639979398 /nfs/dbraw/zinc/97/93/98/639979398.db2.gz UWWGSFMKLKPOJG-SRVKXCTJSA-N 2 0 246.351 -0.883 20 0 BBADRP C[C@H](O)[C@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904702 639980136 /nfs/dbraw/zinc/98/01/36/639980136.db2.gz UWWGSFMKLKPOJG-TUAOUCFPSA-N 2 0 246.351 -0.883 20 0 BBADRP C[NH+](C)CCC[C@H]1CN(C[C@@H](O)CO)CCO1 ZINC000931076212 640058709 /nfs/dbraw/zinc/05/87/09/640058709.db2.gz OIWZSBAPZXXGSG-NEPJUHHUSA-N 2 0 246.351 -0.618 20 0 BBADRP C[NH+](C)CCC[C@@H]1CN(C[C@H](O)CO)CCO1 ZINC000931076213 640059510 /nfs/dbraw/zinc/05/95/10/640059510.db2.gz OIWZSBAPZXXGSG-NWDGAFQWSA-N 2 0 246.351 -0.618 20 0 BBADRP C[NH+](C)CCC[C@H]1CN(C[C@H](O)CO)CCO1 ZINC000931076214 640060011 /nfs/dbraw/zinc/06/00/11/640060011.db2.gz OIWZSBAPZXXGSG-RYUDHWBXSA-N 2 0 246.351 -0.618 20 0 BBADRP C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)CO)CCO1 ZINC000931076215 640058251 /nfs/dbraw/zinc/05/82/51/640058251.db2.gz OIWZSBAPZXXGSG-VXGBXAGGSA-N 2 0 246.351 -0.618 20 0 BBADRP CN1CC[C@H](N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279519 640126812 /nfs/dbraw/zinc/12/68/12/640126812.db2.gz KLHPKHPFRHZBIO-ZRUFSTJUSA-N 2 0 223.320 -0.291 20 0 BBADRP C[C@H](O)[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281704 640122040 /nfs/dbraw/zinc/12/20/40/640122040.db2.gz WYEXEOYOVBUWQR-QUARPLMYSA-N 2 0 214.309 -0.780 20 0 BBADRP C[C@@H](O)[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281706 640121745 /nfs/dbraw/zinc/12/17/45/640121745.db2.gz WYEXEOYOVBUWQR-UVOCVTCTSA-N 2 0 214.309 -0.780 20 0 BBADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931424484 640185477 /nfs/dbraw/zinc/18/54/77/640185477.db2.gz ALVQXHGGYGTMRO-WDEREUQCSA-N 2 0 225.336 -0.042 20 0 BBADRP CNC(=O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432410 640198549 /nfs/dbraw/zinc/19/85/49/640198549.db2.gz PRFNLNWWWZLFIK-VHSXEESVSA-N 2 0 211.309 -0.384 20 0 BBADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC000931434764 640203973 /nfs/dbraw/zinc/20/39/73/640203973.db2.gz WFXCOPKKYWRGFC-OUAUKWLOSA-N 2 0 223.320 -0.242 20 0 BBADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC000931434772 640200754 /nfs/dbraw/zinc/20/07/54/640200754.db2.gz WFXCOPKKYWRGFC-VWYCJHECSA-N 2 0 223.320 -0.242 20 0 BBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436801 640198745 /nfs/dbraw/zinc/19/87/45/640198745.db2.gz MXMLNIPEKYPJMA-TUAOUCFPSA-N 2 0 228.336 -0.123 20 0 BBADRP C[C@@H](O)[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442227 640205445 /nfs/dbraw/zinc/20/54/45/640205445.db2.gz ZBMICQPAKRPQAV-KXNHARMFSA-N 2 0 228.336 -0.388 20 0 BBADRP C[C@H](O)[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442228 640208669 /nfs/dbraw/zinc/20/86/69/640208669.db2.gz ZBMICQPAKRPQAV-NNYUYHANSA-N 2 0 228.336 -0.388 20 0 BBADRP C[C@@H](O)[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442229 640206383 /nfs/dbraw/zinc/20/63/83/640206383.db2.gz ZBMICQPAKRPQAV-WRWGMCAJSA-N 2 0 228.336 -0.388 20 0 BBADRP C[C@H](O)[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442230 640206049 /nfs/dbraw/zinc/20/60/49/640206049.db2.gz ZBMICQPAKRPQAV-YFKTTZPYSA-N 2 0 228.336 -0.388 20 0 BBADRP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cnnn3)C[C@@H]2C1 ZINC000931443396 711715309 /nfs/dbraw/zinc/71/53/09/711715309.db2.gz WPNCCSOVXWDJTM-MNOVXSKESA-N 2 0 236.323 -0.443 20 0 BBADRP C[C@@H](O)[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481946 640234313 /nfs/dbraw/zinc/23/43/13/640234313.db2.gz XQXUKHIIPLEBJQ-GHMZBOCLSA-N 2 0 246.351 -0.883 20 0 BBADRP C[C@@H](O)[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481953 640232880 /nfs/dbraw/zinc/23/28/80/640232880.db2.gz XQXUKHIIPLEBJQ-MNOVXSKESA-N 2 0 246.351 -0.883 20 0 BBADRP C[C@H](O)[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481955 640234108 /nfs/dbraw/zinc/23/41/08/640234108.db2.gz XQXUKHIIPLEBJQ-QWRGUYRKSA-N 2 0 246.351 -0.883 20 0 BBADRP C[C@H](O)[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481957 640233986 /nfs/dbraw/zinc/23/39/86/640233986.db2.gz XQXUKHIIPLEBJQ-WDEREUQCSA-N 2 0 246.351 -0.883 20 0 BBADRP C[NH+](C)CC1(O)CC[NH+](CC2OCCO2)CC1 ZINC000931482260 640234458 /nfs/dbraw/zinc/23/44/58/640234458.db2.gz AHBZHBBMVFOGNM-UHFFFAOYSA-N 2 0 244.335 -0.252 20 0 BBADRP C[C@H](O)[C@H](O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931546530 640265532 /nfs/dbraw/zinc/26/55/32/640265532.db2.gz LMZMTOBUTOYNKB-FIQHERPVSA-N 2 0 228.336 -0.246 20 0 BBADRP C[C@H](O)[C@H](O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931546531 640267603 /nfs/dbraw/zinc/26/76/03/640267603.db2.gz LMZMTOBUTOYNKB-IRCOFANPSA-N 2 0 228.336 -0.246 20 0 BBADRP C[C@H](O)[C@H](O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931546532 640268494 /nfs/dbraw/zinc/26/84/94/640268494.db2.gz LMZMTOBUTOYNKB-NNYUYHANSA-N 2 0 228.336 -0.246 20 0 BBADRP C[C@H](O)[C@H](O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931546533 640266749 /nfs/dbraw/zinc/26/67/49/640266749.db2.gz LMZMTOBUTOYNKB-WHOHXGKFSA-N 2 0 228.336 -0.246 20 0 BBADRP OC[C@H]1CC[N@@H+]1C/C=C/C[NH+]1CC[C@H]1CO ZINC000934010820 640801131 /nfs/dbraw/zinc/80/11/31/640801131.db2.gz HNAMSHSUUIPBNQ-ZRGSSGQVSA-N 2 0 226.320 -0.324 20 0 BBADRP C[NH+]1CCC(NC(=O)CN2CC[C@@H]2CO)CC1 ZINC000934013981 631594981 /nfs/dbraw/zinc/59/49/81/631594981.db2.gz YLQUXOQXTIHWQG-LLVKDONJSA-N 2 0 241.335 -0.737 20 0 BBADRP C[NH+]1CCC(NC(=O)CN2CC[C@H]2CO)CC1 ZINC000934013982 631595860 /nfs/dbraw/zinc/59/58/60/631595860.db2.gz YLQUXOQXTIHWQG-NSHDSACASA-N 2 0 241.335 -0.737 20 0 BBADRP OC[C@@H]1CC[NH+]1CCOCC[N@H+]1CC[C@H]1CO ZINC000934015666 631611656 /nfs/dbraw/zinc/61/16/56/631611656.db2.gz GELFRDGYIIACNT-RYUDHWBXSA-N 2 0 244.335 -0.864 20 0 BBADRP OC[C@H]1CC[N@@H+]1CCOCC[NH+]1CC[C@H]1CO ZINC000934015672 631611883 /nfs/dbraw/zinc/61/18/83/631611883.db2.gz GELFRDGYIIACNT-TXEJJXNPSA-N 2 0 244.335 -0.864 20 0 BBADRP OC[C@H]1CC[NH+]1CCOCC[N@H+]1CC[C@@H]1CO ZINC000934015676 631611066 /nfs/dbraw/zinc/61/10/66/631611066.db2.gz GELFRDGYIIACNT-VXGBXAGGSA-N 2 0 244.335 -0.864 20 0 BBADRP OC[C@@H]1CC[NH+]1CCCC[N@H+]1CC[C@H]1CO ZINC000934016182 631610304 /nfs/dbraw/zinc/61/03/04/631610304.db2.gz LDUQHPMRRLWNQM-RYUDHWBXSA-N 2 0 228.336 -0.100 20 0 BBADRP OC[C@H]1CC[N@@H+]1CCCC[NH+]1CC[C@H]1CO ZINC000934016183 631611959 /nfs/dbraw/zinc/61/19/59/631611959.db2.gz LDUQHPMRRLWNQM-TXEJJXNPSA-N 2 0 228.336 -0.100 20 0 BBADRP OC[C@H]1CC[NH+]1CCCC[N@H+]1CC[C@@H]1CO ZINC000934016184 631611763 /nfs/dbraw/zinc/61/17/63/631611763.db2.gz LDUQHPMRRLWNQM-VXGBXAGGSA-N 2 0 228.336 -0.100 20 0 BBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967709165 642802375 /nfs/dbraw/zinc/80/23/75/642802375.db2.gz XOMZFSFKRSBDOM-GHMZBOCLSA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000967709166 642801929 /nfs/dbraw/zinc/80/19/29/642801929.db2.gz XOMZFSFKRSBDOM-MNOVXSKESA-N 2 0 241.335 -0.737 20 0 BBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)[NH+](C)C ZINC000969076657 642822687 /nfs/dbraw/zinc/82/26/87/642822687.db2.gz CYUXWARWYSXNIU-GHMZBOCLSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)[NH+](C)C ZINC000969985160 643263195 /nfs/dbraw/zinc/26/31/95/643263195.db2.gz CYUXWARWYSXNIU-MNOVXSKESA-N 2 0 243.351 -0.491 20 0 BBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970715543 643512977 /nfs/dbraw/zinc/51/29/77/643512977.db2.gz YRCYZYIGUCOQLG-GHMZBOCLSA-N 2 0 241.335 -0.879 20 0 BBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970715544 643513220 /nfs/dbraw/zinc/51/32/20/643513220.db2.gz YRCYZYIGUCOQLG-WDEREUQCSA-N 2 0 241.335 -0.879 20 0 BBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970717202 643512015 /nfs/dbraw/zinc/51/20/15/643512015.db2.gz KZFYKFCCCQHEDZ-LLVKDONJSA-N 2 0 241.335 -0.735 20 0 BBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001010381525 642863462 /nfs/dbraw/zinc/86/34/62/642863462.db2.gz BAYJCAJKAZNJEH-GHMZBOCLSA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001010381526 642862820 /nfs/dbraw/zinc/86/28/20/642862820.db2.gz BAYJCAJKAZNJEH-MNOVXSKESA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001010381527 642861894 /nfs/dbraw/zinc/86/18/94/642861894.db2.gz BAYJCAJKAZNJEH-QWRGUYRKSA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001010381528 642863923 /nfs/dbraw/zinc/86/39/23/642863923.db2.gz BAYJCAJKAZNJEH-WDEREUQCSA-N 2 0 241.335 -0.737 20 0 BBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001016250634 642951902 /nfs/dbraw/zinc/95/19/02/642951902.db2.gz PVCAEMZWXVAEOV-GHMZBOCLSA-N 2 0 241.335 -0.879 20 0 BBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001016250635 642956091 /nfs/dbraw/zinc/95/60/91/642956091.db2.gz PVCAEMZWXVAEOV-MNOVXSKESA-N 2 0 241.335 -0.879 20 0 BBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001016250636 642954536 /nfs/dbraw/zinc/95/45/36/642954536.db2.gz PVCAEMZWXVAEOV-QWRGUYRKSA-N 2 0 241.335 -0.879 20 0 BBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001016250637 642950596 /nfs/dbraw/zinc/95/05/96/642950596.db2.gz PVCAEMZWXVAEOV-WDEREUQCSA-N 2 0 241.335 -0.879 20 0 BBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001016258333 711944658 /nfs/dbraw/zinc/94/46/58/711944658.db2.gz AOEHXSIBYVNNFX-LLVKDONJSA-N 2 0 241.335 -0.735 20 0 BBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001016258338 711944753 /nfs/dbraw/zinc/94/47/53/711944753.db2.gz AOEHXSIBYVNNFX-NSHDSACASA-N 2 0 241.335 -0.735 20 0 BBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001019033185 643020461 /nfs/dbraw/zinc/02/04/61/643020461.db2.gz CYUXWARWYSXNIU-WDEREUQCSA-N 2 0 243.351 -0.491 20 0 BBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001019394282 643030479 /nfs/dbraw/zinc/03/04/79/643030479.db2.gz CYUXWARWYSXNIU-QWRGUYRKSA-N 2 0 243.351 -0.491 20 0 BBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019772981 633790609 /nfs/dbraw/zinc/79/06/09/633790609.db2.gz YRCYZYIGUCOQLG-MNOVXSKESA-N 2 0 241.335 -0.879 20 0 BBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019772982 633790101 /nfs/dbraw/zinc/79/01/01/633790101.db2.gz YRCYZYIGUCOQLG-QWRGUYRKSA-N 2 0 241.335 -0.879 20 0 BBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019774854 633790554 /nfs/dbraw/zinc/79/05/54/633790554.db2.gz KZFYKFCCCQHEDZ-NSHDSACASA-N 2 0 241.335 -0.735 20 0 BBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020028492 643051743 /nfs/dbraw/zinc/05/17/43/643051743.db2.gz AIHFROKWXOFWJK-DCAQKATOSA-N 2 0 241.335 -0.690 20 0 BBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020028493 643052871 /nfs/dbraw/zinc/05/28/71/643052871.db2.gz AIHFROKWXOFWJK-GMTAPVOTSA-N 2 0 241.335 -0.690 20 0 BBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001021045013 643396091 /nfs/dbraw/zinc/39/60/91/643396091.db2.gz XEYYOGGUXZJIQO-DCAQKATOSA-N 2 0 241.335 -0.833 20 0 BBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001021045017 643395240 /nfs/dbraw/zinc/39/52/40/643395240.db2.gz XEYYOGGUXZJIQO-GMTAPVOTSA-N 2 0 241.335 -0.833 20 0 BBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001021045922 643395975 /nfs/dbraw/zinc/39/59/75/643395975.db2.gz KGUIIVVUKRFMCN-XYPYZODXSA-N 2 0 241.335 -0.689 20 0 BBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001021904554 642452656 /nfs/dbraw/zinc/45/26/56/642452656.db2.gz AIHFROKWXOFWJK-AXFHLTTASA-N 2 0 241.335 -0.690 20 0 BBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001021904557 642453107 /nfs/dbraw/zinc/45/31/07/642453107.db2.gz AIHFROKWXOFWJK-OUAUKWLOSA-N 2 0 241.335 -0.690 20 0 BBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001023086789 632125077 /nfs/dbraw/zinc/12/50/77/632125077.db2.gz XEYYOGGUXZJIQO-GARJFASQSA-N 2 0 241.335 -0.833 20 0 BBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001023086790 632125247 /nfs/dbraw/zinc/12/52/47/632125247.db2.gz XEYYOGGUXZJIQO-MXWKQRLJSA-N 2 0 241.335 -0.833 20 0 BBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001023090229 632127870 /nfs/dbraw/zinc/12/78/70/632127870.db2.gz KGUIIVVUKRFMCN-PHIMTYICSA-N 2 0 241.335 -0.689 20 0 BBADRP C[C@@H]1[C@H](C(=O)NC2CN(CCO)C2)CC[N@@H+]1C ZINC001030336778 640770961 /nfs/dbraw/zinc/77/09/61/640770961.db2.gz SFJLTCJURODXTA-MWLCHTKSSA-N 2 0 241.335 -0.881 20 0 BBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CN(CCO)C2)C1 ZINC001031259865 641867639 /nfs/dbraw/zinc/86/76/39/641867639.db2.gz HWOPCAATUUWEPN-JTQLQIEISA-N 2 0 241.335 -0.879 20 0 BBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CN(CCO)C2)C1 ZINC001031259866 641867931 /nfs/dbraw/zinc/86/79/31/641867931.db2.gz HWOPCAATUUWEPN-SNVBAGLBSA-N 2 0 241.335 -0.879 20 0 BBADRP C[C@H](O)CN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389104 642054428 /nfs/dbraw/zinc/05/44/28/642054428.db2.gz AYFGZJRZYZZHHU-JTQLQIEISA-N 2 0 241.335 -0.737 20 0 BBADRP C[C@@H](O)CN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389105 642055291 /nfs/dbraw/zinc/05/52/91/642055291.db2.gz AYFGZJRZYZZHHU-SNVBAGLBSA-N 2 0 241.335 -0.737 20 0 BBADRP O=C(C[NH+]1CCCC1)NC1CN(CCCO)C1 ZINC001031390967 642057214 /nfs/dbraw/zinc/05/72/14/642057214.db2.gz XOLZATQLQZKDEE-UHFFFAOYSA-N 2 0 241.335 -0.735 20 0 BBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031585039 642338813 /nfs/dbraw/zinc/33/88/13/642338813.db2.gz OPTNHERLXHJMAS-LLVKDONJSA-N 2 0 241.335 -0.879 20 0 BBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031585040 642339426 /nfs/dbraw/zinc/33/94/26/642339426.db2.gz OPTNHERLXHJMAS-NSHDSACASA-N 2 0 241.335 -0.879 20 0 BBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174642 711940664 /nfs/dbraw/zinc/94/06/64/711940664.db2.gz QYFHFRXGXMAKQO-GMTAPVOTSA-N 2 0 241.335 -0.881 20 0 BBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174643 711940716 /nfs/dbraw/zinc/94/07/16/711940716.db2.gz QYFHFRXGXMAKQO-HBNTYKKESA-N 2 0 241.335 -0.881 20 0 BBADRP Nc1cc[nH+]c(N2CCN3CC[NH2+]C[C@@H]3C2)c1 ZINC001164390901 718828684 /nfs/dbraw/zinc/82/86/84/718828684.db2.gz GYFPAHZCYLMMJY-LLVKDONJSA-N 2 0 233.319 -0.242 20 0 BBADRP Nc1cc[nH+]c(N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164390905 718828578 /nfs/dbraw/zinc/82/85/78/718828578.db2.gz GYFPAHZCYLMMJY-NSHDSACASA-N 2 0 233.319 -0.242 20 0 BBADRP [NH3+]Cc1cc(N2CCN3CC[NH2+]C[C@@H]3C2)ncn1 ZINC001164393340 718832248 /nfs/dbraw/zinc/83/22/48/718832248.db2.gz UWDAUBARGGWQJW-LLVKDONJSA-N 2 0 248.334 -0.971 20 0 BBADRP [NH3+]Cc1cc(N2CCN3CC[NH2+]C[C@H]3C2)ncn1 ZINC001164393349 718832158 /nfs/dbraw/zinc/83/21/58/718832158.db2.gz UWDAUBARGGWQJW-NSHDSACASA-N 2 0 248.334 -0.971 20 0 BBADRP Nc1cccc(N2CCN3CC[NH2+]C[C@H]3C2)[nH+]1 ZINC001164394382 718831140 /nfs/dbraw/zinc/83/11/40/718831140.db2.gz ZEQWXXYWXNPWRF-JTQLQIEISA-N 2 0 233.319 -0.242 20 0 BBADRP Nc1cccc(N2CCN3CC[NH2+]C[C@@H]3C2)[nH+]1 ZINC001164394386 718831037 /nfs/dbraw/zinc/83/10/37/718831037.db2.gz ZEQWXXYWXNPWRF-SNVBAGLBSA-N 2 0 233.319 -0.242 20 0 BBADRP C[N@@H+]1CCO[C@@H]2CN(c3cc(C[NH3+])ncn3)C[C@H]21 ZINC001164667694 719385194 /nfs/dbraw/zinc/38/51/94/719385194.db2.gz OTAHEUUCAGEXSY-GHMZBOCLSA-N 2 0 249.318 -0.546 20 0 BBADRP C[N@@H+]1CCO[C@H]2CN(c3cc(C[NH3+])ncn3)C[C@H]21 ZINC001164667698 719384874 /nfs/dbraw/zinc/38/48/74/719384874.db2.gz OTAHEUUCAGEXSY-MNOVXSKESA-N 2 0 249.318 -0.546 20 0 BBADRP C[N@@H+]1CCO[C@H]2CN(c3cc(C[NH3+])ncn3)C[C@@H]21 ZINC001164667699 719385165 /nfs/dbraw/zinc/38/51/65/719385165.db2.gz OTAHEUUCAGEXSY-QWRGUYRKSA-N 2 0 249.318 -0.546 20 0 BBADRP C[N@@H+]1CCO[C@@H]2CN(c3cc(C[NH3+])ncn3)C[C@@H]21 ZINC001164667703 719384971 /nfs/dbraw/zinc/38/49/71/719384971.db2.gz OTAHEUUCAGEXSY-WDEREUQCSA-N 2 0 249.318 -0.546 20 0 BBADRP