smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN ZINC000037825465 387567380 /nfs/dbraw/zinc/56/73/80/387567380.db2.gz AHUJYUIQBPOGGM-UHFFFAOYSA-N 2 3 244.383 -0.323 20 0 BBADHP CN(CCOCC[NH3+])CC(C)(C)C[NH3+] ZINC000309022132 349305883 /nfs/dbraw/zinc/30/58/83/349305883.db2.gz XSWCHZXZKLMQJP-UHFFFAOYSA-N 2 3 203.330 -0.122 20 0 BBADHP C[C@@H]([NH3+])[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000309131004 350076804 /nfs/dbraw/zinc/07/68/04/350076804.db2.gz QZRBGNKBCKJMDI-NXEZZACHSA-N 2 3 201.314 -0.369 20 0 BBADHP C[C@H]([NH3+])[C@H]1CCN(CCOCC[NH3+])C1 ZINC000309131005 350076941 /nfs/dbraw/zinc/07/69/41/350076941.db2.gz QZRBGNKBCKJMDI-UWVGGRQHSA-N 2 3 201.314 -0.369 20 0 BBADHP C[C@H]([NH3+])[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000309131006 350076773 /nfs/dbraw/zinc/07/67/73/350076773.db2.gz QZRBGNKBCKJMDI-VHSXEESVSA-N 2 3 201.314 -0.369 20 0 BBADHP C[C@@H]([NH3+])[C@H]1CCN(CCOCC[NH3+])C1 ZINC000309131007 350076872 /nfs/dbraw/zinc/07/68/72/350076872.db2.gz QZRBGNKBCKJMDI-ZJUUUORDSA-N 2 3 201.314 -0.369 20 0 BBADHP [NH3+]CCOCCN1CCC[C@@H](C[NH3+])C1 ZINC000389876682 357058299 /nfs/dbraw/zinc/05/82/99/357058299.db2.gz MEFPTURJLJFSTK-JTQLQIEISA-N 2 3 201.314 -0.368 20 0 BBADHP [NH3+]CCOCCN1CCC[C@H](C[NH3+])C1 ZINC000389876684 357058162 /nfs/dbraw/zinc/05/81/62/357058162.db2.gz MEFPTURJLJFSTK-SNVBAGLBSA-N 2 3 201.314 -0.368 20 0 BBADHP C[C@@H]1C[C@H](C[NH3+])CN1CCOCC[NH3+] ZINC000389893958 357061538 /nfs/dbraw/zinc/06/15/38/357061538.db2.gz XQFHUOBZUNDDOV-NXEZZACHSA-N 2 3 201.314 -0.369 20 0 BBADHP C[C@H]1C[C@@H](C[NH3+])CN1CCOCC[NH3+] ZINC000389893959 357060912 /nfs/dbraw/zinc/06/09/12/357060912.db2.gz XQFHUOBZUNDDOV-UWVGGRQHSA-N 2 3 201.314 -0.369 20 0 BBADHP C[C@H]1C[C@H](C[NH3+])CN1CCOCC[NH3+] ZINC000389893960 357061475 /nfs/dbraw/zinc/06/14/75/357061475.db2.gz XQFHUOBZUNDDOV-VHSXEESVSA-N 2 3 201.314 -0.369 20 0 BBADHP C[C@@H]1C[C@@H](C[NH3+])CN1CCOCC[NH3+] ZINC000389893961 357060984 /nfs/dbraw/zinc/06/09/84/357060984.db2.gz XQFHUOBZUNDDOV-ZJUUUORDSA-N 2 3 201.314 -0.369 20 0 BBADHP C[C@]1(CNCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000414775995 386479104 /nfs/dbraw/zinc/47/91/04/386479104.db2.gz DWQAARXCSJJUNV-CYBMUJFWSA-N 2 3 240.395 -0.129 20 0 BBADHP C[C@@]1(CNCCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000414776000 386479987 /nfs/dbraw/zinc/47/99/87/386479987.db2.gz DWQAARXCSJJUNV-ZDUSSCGKSA-N 2 3 240.395 -0.129 20 0 BBADHP C[C@@H]1CCN(CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000420409210 192239902 /nfs/dbraw/zinc/23/99/02/192239902.db2.gz QIKCXPBUTDBAPJ-GHMZBOCLSA-N 2 3 215.341 -0.122 20 0 BBADHP C[C@@H]1CCN(CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000420409213 388000277 /nfs/dbraw/zinc/00/02/77/388000277.db2.gz QIKCXPBUTDBAPJ-MNOVXSKESA-N 2 3 215.341 -0.122 20 0 BBADHP C[C@H]1CCN(CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000420409216 192239037 /nfs/dbraw/zinc/23/90/37/192239037.db2.gz QIKCXPBUTDBAPJ-QWRGUYRKSA-N 2 3 215.341 -0.122 20 0 BBADHP C[C@H]1CCN(CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000420409218 387998924 /nfs/dbraw/zinc/99/89/24/387998924.db2.gz QIKCXPBUTDBAPJ-WDEREUQCSA-N 2 3 215.341 -0.122 20 0 BBADHP [NH3+]C[C@H]1CCCC[C@H]1NCCN1CC[NH2+]CC1 ZINC000423209598 192628776 /nfs/dbraw/zinc/62/87/76/192628776.db2.gz VFTRWSBLFNCODS-CHWSQXEVSA-N 2 3 240.395 -0.001 20 0 BBADHP [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CC[NH2+]CC1 ZINC000423209599 387994212 /nfs/dbraw/zinc/99/42/12/387994212.db2.gz VFTRWSBLFNCODS-OLZOCXBDSA-N 2 3 240.395 -0.001 20 0 BBADHP [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CC[NH2+]CC1 ZINC000423209600 387993227 /nfs/dbraw/zinc/99/32/27/387993227.db2.gz VFTRWSBLFNCODS-QWHCGFSZSA-N 2 3 240.395 -0.001 20 0 BBADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1CC[NH2+]CC1 ZINC000423209601 387992681 /nfs/dbraw/zinc/99/26/81/387992681.db2.gz VFTRWSBLFNCODS-STQMWFEESA-N 2 3 240.395 -0.001 20 0 BBADHP [NH3+][C@@H]1CCCC[C@H]1NCCN1CC[NH2+]CC1 ZINC000424295991 387956528 /nfs/dbraw/zinc/95/65/28/387956528.db2.gz RUKORQWTEHKMDF-VXGBXAGGSA-N 2 3 226.368 -0.249 20 0 BBADHP [NH3+]CCCOC1CCN(CCOCC[NH3+])CC1 ZINC000515649524 387413636 /nfs/dbraw/zinc/41/36/36/387413636.db2.gz CBSPDOMYTZLDTG-UHFFFAOYSA-N 2 3 245.367 -0.209 20 0 BBADHP CN(CCC1CC[NH2+]CC1)C[C@H](O)C[NH3+] ZINC000563957516 323331180 /nfs/dbraw/zinc/33/11/80/323331180.db2.gz MBYWHZPMHZJRLS-LLVKDONJSA-N 2 3 215.341 -0.373 20 0 BBADHP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H](O)CN ZINC000563957516 323331179 /nfs/dbraw/zinc/33/11/79/323331179.db2.gz MBYWHZPMHZJRLS-LLVKDONJSA-N 2 3 215.341 -0.373 20 0 BBADHP C[N@H+](CCC1CC[NH2+]CC1)C[C@H](O)CN ZINC000563957516 323331176 /nfs/dbraw/zinc/33/11/76/323331176.db2.gz MBYWHZPMHZJRLS-LLVKDONJSA-N 2 3 215.341 -0.373 20 0 BBADHP CN(CCC1CC[NH2+]CC1)C[C@@H](O)C[NH3+] ZINC000563957543 323330883 /nfs/dbraw/zinc/33/08/83/323330883.db2.gz MBYWHZPMHZJRLS-NSHDSACASA-N 2 3 215.341 -0.373 20 0 BBADHP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H](O)CN ZINC000563957543 323330879 /nfs/dbraw/zinc/33/08/79/323330879.db2.gz MBYWHZPMHZJRLS-NSHDSACASA-N 2 3 215.341 -0.373 20 0 BBADHP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H](O)CN ZINC000563957543 323330876 /nfs/dbraw/zinc/33/08/76/323330876.db2.gz MBYWHZPMHZJRLS-NSHDSACASA-N 2 3 215.341 -0.373 20 0 BBADHP [NH3+]CCC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000565096373 323016649 /nfs/dbraw/zinc/01/66/49/323016649.db2.gz PULUOCIYJJPPQA-UHFFFAOYSA-N 2 3 240.395 -0.048 20 0 BBADHP [NH3+][C@@H]1CCC[C@H](NCCN2CC[NH2+]CC2)C1 ZINC000565227116 388929832 /nfs/dbraw/zinc/92/98/32/388929832.db2.gz VNSWTXWRTHQGRQ-NEPJUHHUSA-N 2 3 226.368 -0.249 20 0 BBADHP [NH3+][C@H]1CCC[C@@H](NCCN2CC[NH2+]CC2)C1 ZINC000565227119 388929748 /nfs/dbraw/zinc/92/97/48/388929748.db2.gz VNSWTXWRTHQGRQ-NWDGAFQWSA-N 2 3 226.368 -0.249 20 0 BBADHP [NH3+][C@H]1CCC[C@H](NCCN2CC[NH2+]CC2)C1 ZINC000565227121 325881493 /nfs/dbraw/zinc/88/14/93/325881493.db2.gz VNSWTXWRTHQGRQ-RYUDHWBXSA-N 2 3 226.368 -0.249 20 0 BBADHP [NH3+][C@@H]1CCC[C@@H](NCCN2CC[NH2+]CC2)C1 ZINC000565227122 325881448 /nfs/dbraw/zinc/88/14/48/325881448.db2.gz VNSWTXWRTHQGRQ-VXGBXAGGSA-N 2 3 226.368 -0.249 20 0 BBADHP CC1(C)CNCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000566245219 326022351 /nfs/dbraw/zinc/02/23/51/326022351.db2.gz LGEQSRDEAFHFEL-GFCCVEGCSA-N 2 3 240.395 -0.131 20 0 BBADHP CC1(C)CNCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000566245220 326022711 /nfs/dbraw/zinc/02/27/11/326022711.db2.gz LGEQSRDEAFHFEL-LBPRGKRZSA-N 2 3 240.395 -0.131 20 0 BBADHP CNC[C@@](C)(O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568772302 326377027 /nfs/dbraw/zinc/37/70/27/326377027.db2.gz RYJJVLKGVXHKHQ-FRRDWIJNSA-N 2 3 241.379 -0.112 20 0 BBADHP CNC[C@@](C)(O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568772302 326377026 /nfs/dbraw/zinc/37/70/26/326377026.db2.gz RYJJVLKGVXHKHQ-FRRDWIJNSA-N 2 3 241.379 -0.112 20 0 BBADHP CNC[C@](C)(O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568772308 326377048 /nfs/dbraw/zinc/37/70/48/326377048.db2.gz RYJJVLKGVXHKHQ-XQQFMLRXSA-N 2 3 241.379 -0.112 20 0 BBADHP CNC[C@](C)(O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568772308 326377047 /nfs/dbraw/zinc/37/70/47/326377047.db2.gz RYJJVLKGVXHKHQ-XQQFMLRXSA-N 2 3 241.379 -0.112 20 0 BBADHP CC1(C)CNCC[C@@H]1[NH2+]CCOCC[NH3+] ZINC000569002794 326386172 /nfs/dbraw/zinc/38/61/72/326386172.db2.gz JTQBGGHMWUDBEK-JTQLQIEISA-N 2 3 215.341 -0.061 20 0 BBADHP CC1(C)C[NH2+]CC[C@@H]1NCCOCC[NH3+] ZINC000569002794 326386171 /nfs/dbraw/zinc/38/61/71/326386171.db2.gz JTQBGGHMWUDBEK-JTQLQIEISA-N 2 3 215.341 -0.061 20 0 BBADHP CC1(C)CNCC[C@H]1[NH2+]CCOCC[NH3+] ZINC000569002796 326386230 /nfs/dbraw/zinc/38/62/30/326386230.db2.gz JTQBGGHMWUDBEK-SNVBAGLBSA-N 2 3 215.341 -0.061 20 0 BBADHP CC1(C)C[NH2+]CC[C@H]1NCCOCC[NH3+] ZINC000569002796 326386228 /nfs/dbraw/zinc/38/62/28/326386228.db2.gz JTQBGGHMWUDBEK-SNVBAGLBSA-N 2 3 215.341 -0.061 20 0 BBADHP CNC[C@@](C)(O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000570338423 323056870 /nfs/dbraw/zinc/05/68/70/323056870.db2.gz ZZENYMTZFWEBBB-GFCCVEGCSA-N 2 3 229.368 -0.112 20 0 BBADHP CNC[C@](C)(O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000570338424 323056929 /nfs/dbraw/zinc/05/69/29/323056929.db2.gz ZZENYMTZFWEBBB-LBPRGKRZSA-N 2 3 229.368 -0.112 20 0 BBADHP CC(C)(N)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000573323561 364798922 /nfs/dbraw/zinc/79/89/22/364798922.db2.gz NOYXFTRNZOHPJZ-UHFFFAOYSA-N 2 3 214.357 -0.391 20 0 BBADHP [NH3+]CCCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573563762 364862169 /nfs/dbraw/zinc/86/21/69/364862169.db2.gz HOCUDVJFVYCFHL-JTQLQIEISA-N 2 3 228.340 -0.878 20 0 BBADHP [NH3+]CCCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573563775 364861549 /nfs/dbraw/zinc/86/15/49/364861549.db2.gz HOCUDVJFVYCFHL-SNVBAGLBSA-N 2 3 228.340 -0.878 20 0 BBADHP C[NH2+]CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000582845619 398051367 /nfs/dbraw/zinc/05/13/67/398051367.db2.gz DDRNMSOGIYIVTB-UHFFFAOYSA-N 2 3 240.395 -0.177 20 0 BBADHP CNC[C@@](C)(O)C[NH+]1CCC(C[NH3+])CC1 ZINC000583268252 357763426 /nfs/dbraw/zinc/76/34/26/357763426.db2.gz MSIVAHKFZZHJMM-LLVKDONJSA-N 2 3 215.341 -0.373 20 0 BBADHP C[NH2+]C[C@@](C)(O)CN1CCC(C[NH3+])CC1 ZINC000583268252 357763422 /nfs/dbraw/zinc/76/34/22/357763422.db2.gz MSIVAHKFZZHJMM-LLVKDONJSA-N 2 3 215.341 -0.373 20 0 BBADHP CNC[C@](C)(O)C[NH+]1CCC(C[NH3+])CC1 ZINC000583268256 357763120 /nfs/dbraw/zinc/76/31/20/357763120.db2.gz MSIVAHKFZZHJMM-NSHDSACASA-N 2 3 215.341 -0.373 20 0 BBADHP C[NH2+]C[C@](C)(O)CN1CCC(C[NH3+])CC1 ZINC000583268256 357763116 /nfs/dbraw/zinc/76/31/16/357763116.db2.gz MSIVAHKFZZHJMM-NSHDSACASA-N 2 3 215.341 -0.373 20 0 BBADHP CN(C[C@@H](O)C[NH3+])CC1CC[NH2+]CC1 ZINC000584350855 356064186 /nfs/dbraw/zinc/06/41/86/356064186.db2.gz FSJSPTLVBAJYQX-JTQLQIEISA-N 2 3 201.314 -0.763 20 0 BBADHP CN(C[C@H](O)C[NH3+])CC1CC[NH2+]CC1 ZINC000584350856 356064427 /nfs/dbraw/zinc/06/44/27/356064427.db2.gz FSJSPTLVBAJYQX-SNVBAGLBSA-N 2 3 201.314 -0.763 20 0 BBADHP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000629531156 538107728 /nfs/dbraw/zinc/10/77/28/538107728.db2.gz BQARINJEHIMKFR-GHMZBOCLSA-N 2 3 215.341 -0.061 20 0 BBADHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000629531156 538107727 /nfs/dbraw/zinc/10/77/27/538107727.db2.gz BQARINJEHIMKFR-GHMZBOCLSA-N 2 3 215.341 -0.061 20 0 BBADHP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000629531157 538107791 /nfs/dbraw/zinc/10/77/91/538107791.db2.gz BQARINJEHIMKFR-MNOVXSKESA-N 2 3 215.341 -0.061 20 0 BBADHP C[NH2+]CCOCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000629531157 538107789 /nfs/dbraw/zinc/10/77/89/538107789.db2.gz BQARINJEHIMKFR-MNOVXSKESA-N 2 3 215.341 -0.061 20 0 BBADHP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1CN ZINC000629531158 538107657 /nfs/dbraw/zinc/10/76/57/538107657.db2.gz BQARINJEHIMKFR-QWRGUYRKSA-N 2 3 215.341 -0.061 20 0 BBADHP C[NH2+]CCOCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000629531158 538107655 /nfs/dbraw/zinc/10/76/55/538107655.db2.gz BQARINJEHIMKFR-QWRGUYRKSA-N 2 3 215.341 -0.061 20 0 BBADHP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000629531159 538107799 /nfs/dbraw/zinc/10/77/99/538107799.db2.gz BQARINJEHIMKFR-WDEREUQCSA-N 2 3 215.341 -0.061 20 0 BBADHP C[NH2+]CCOCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000629531159 538107797 /nfs/dbraw/zinc/10/77/97/538107797.db2.gz BQARINJEHIMKFR-WDEREUQCSA-N 2 3 215.341 -0.061 20 0 BBADHP C[NH2+]CCOCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000629531415 361148621 /nfs/dbraw/zinc/14/86/21/361148621.db2.gz KMYMPBKEPAEUOE-NXEZZACHSA-N 2 3 203.330 -0.062 20 0 BBADHP C[NH2+]CCOCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000629531416 361148711 /nfs/dbraw/zinc/14/87/11/361148711.db2.gz KMYMPBKEPAEUOE-UWVGGRQHSA-N 2 3 203.330 -0.062 20 0 BBADHP C[NH2+]CCOCCN[C@H](C)C[C@H](C)[NH3+] ZINC000629531417 361148725 /nfs/dbraw/zinc/14/87/25/361148725.db2.gz KMYMPBKEPAEUOE-VHSXEESVSA-N 2 3 203.330 -0.062 20 0 BBADHP C[NH2+]CCOCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000629531418 361149432 /nfs/dbraw/zinc/14/94/32/361149432.db2.gz KMYMPBKEPAEUOE-ZJUUUORDSA-N 2 3 203.330 -0.062 20 0 BBADHP [NH3+]CCCOCC[NH2+]C1CCNCC1 ZINC000629540094 361414237 /nfs/dbraw/zinc/41/42/37/361414237.db2.gz TXMOBJVBPQESAL-UHFFFAOYSA-N 2 3 201.314 -0.307 20 0 BBADHP C[NH2+]CCOCCN(C)CCN1CC[NH2+]CC1 ZINC000629570828 361460779 /nfs/dbraw/zinc/46/07/79/361460779.db2.gz NIUFECMHDWMQIB-UHFFFAOYSA-N 2 3 244.383 -0.941 20 0 BBADHP CN(CCOCC[NH3+])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629580956 361470923 /nfs/dbraw/zinc/47/09/23/361470923.db2.gz HFOYAOUOYNQLFI-LLVKDONJSA-N 2 3 243.351 -0.586 20 0 BBADHP CN(CCOCC[NH3+])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629580957 361470749 /nfs/dbraw/zinc/47/07/49/361470749.db2.gz HFOYAOUOYNQLFI-NSHDSACASA-N 2 3 243.351 -0.586 20 0 BBADHP C[C@H]1CNC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629678862 361600282 /nfs/dbraw/zinc/60/02/82/361600282.db2.gz MIOKRYDEVZWTGI-GHMZBOCLSA-N 2 3 215.341 -0.061 20 0 BBADHP C[C@H]1CNC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629678863 361600232 /nfs/dbraw/zinc/60/02/32/361600232.db2.gz MIOKRYDEVZWTGI-MNOVXSKESA-N 2 3 215.341 -0.061 20 0 BBADHP C[C@@H]1CNC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629678864 361600734 /nfs/dbraw/zinc/60/07/34/361600734.db2.gz MIOKRYDEVZWTGI-QWRGUYRKSA-N 2 3 215.341 -0.061 20 0 BBADHP C[C@@H]1CNC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629678865 361600346 /nfs/dbraw/zinc/60/03/46/361600346.db2.gz MIOKRYDEVZWTGI-WDEREUQCSA-N 2 3 215.341 -0.061 20 0 BBADHP NCC1(C[NH2+]CCOCCC[NH3+])CC1 ZINC000629679702 361600981 /nfs/dbraw/zinc/60/09/81/361600981.db2.gz MTOWWSUWXFAKIO-UHFFFAOYSA-N 2 3 201.314 -0.320 20 0 BBADHP [NH3+]CCCOCCNCC1(C[NH3+])CC1 ZINC000629679702 361600974 /nfs/dbraw/zinc/60/09/74/361600974.db2.gz MTOWWSUWXFAKIO-UHFFFAOYSA-N 2 3 201.314 -0.320 20 0 BBADHP C[C@@]1(CNCCOCCC[NH3+])CC[NH2+]C1 ZINC000629679726 361602065 /nfs/dbraw/zinc/60/20/65/361602065.db2.gz NEINTLXTMZXUBY-LLVKDONJSA-N 2 3 215.341 -0.059 20 0 BBADHP C[C@]1(CNCCOCCC[NH3+])CC[NH2+]C1 ZINC000629679727 361601801 /nfs/dbraw/zinc/60/18/01/361601801.db2.gz NEINTLXTMZXUBY-NSHDSACASA-N 2 3 215.341 -0.059 20 0 BBADHP C[C@@H]1CN(CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000631837318 372627458 /nfs/dbraw/zinc/62/74/58/372627458.db2.gz ALTGZPGBHNIXGT-NXEZZACHSA-N 2 3 201.314 -0.512 20 0 BBADHP C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838550 372631909 /nfs/dbraw/zinc/63/19/09/372631909.db2.gz QGRSDNWGHAWNOQ-VXGBXAGGSA-N 2 3 226.368 -0.582 20 0 BBADHP NCC1(C[NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000634994654 345182871 /nfs/dbraw/zinc/18/28/71/345182871.db2.gz JSTLQIKGYUGASS-UHFFFAOYSA-N 2 3 226.368 -0.390 20 0 BBADHP CC(C)[C@H](C[NH3+])CNCCN1CC[NH2+]CC1 ZINC000634995647 345185271 /nfs/dbraw/zinc/18/52/71/345185271.db2.gz LIRGPFGFCPGZKL-GFCCVEGCSA-N 2 3 228.384 -0.288 20 0 BBADHP CC(C)[C@@H](C[NH3+])CNCCN1CC[NH2+]CC1 ZINC000634995648 345185262 /nfs/dbraw/zinc/18/52/62/345185262.db2.gz LIRGPFGFCPGZKL-LBPRGKRZSA-N 2 3 228.384 -0.288 20 0 BBADHP NCC1(C[NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000634996010 345185729 /nfs/dbraw/zinc/18/57/29/345185729.db2.gz WIHUBQYAHSLUQP-UHFFFAOYSA-N 2 3 212.341 -0.780 20 0 BBADHP CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOCC[NH3+] ZINC000641801496 362754954 /nfs/dbraw/zinc/75/49/54/362754954.db2.gz CUYHDOVSKHDYLH-BDAKNGLRSA-N 2 3 201.314 -0.323 20 0 BBADHP CC1(C)[C@H]([NH3+])C[C@@H]1NCCOCC[NH3+] ZINC000641801496 362754951 /nfs/dbraw/zinc/75/49/51/362754951.db2.gz CUYHDOVSKHDYLH-BDAKNGLRSA-N 2 3 201.314 -0.323 20 0 BBADHP CC1(C)[C@H]([NH2+]CCOCC[NH3+])C[C@@H]1N ZINC000641801499 362756918 /nfs/dbraw/zinc/75/69/18/362756918.db2.gz CUYHDOVSKHDYLH-DTWKUNHWSA-N 2 3 201.314 -0.323 20 0 BBADHP CC1(C)[C@H](NCCOCC[NH3+])C[C@@H]1[NH3+] ZINC000641801499 362756916 /nfs/dbraw/zinc/75/69/16/362756916.db2.gz CUYHDOVSKHDYLH-DTWKUNHWSA-N 2 3 201.314 -0.323 20 0 BBADHP CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOCC[NH3+] ZINC000641801501 362756951 /nfs/dbraw/zinc/75/69/51/362756951.db2.gz CUYHDOVSKHDYLH-IUCAKERBSA-N 2 3 201.314 -0.323 20 0 BBADHP CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOCC[NH3+] ZINC000641801501 362756948 /nfs/dbraw/zinc/75/69/48/362756948.db2.gz CUYHDOVSKHDYLH-IUCAKERBSA-N 2 3 201.314 -0.323 20 0 BBADHP CC1(C)[C@H](N)C[C@H]1[NH2+]CCOCC[NH3+] ZINC000641801503 362756853 /nfs/dbraw/zinc/75/68/53/362756853.db2.gz CUYHDOVSKHDYLH-RKDXNWHRSA-N 2 3 201.314 -0.323 20 0 BBADHP CC1(C)[C@H]([NH3+])C[C@H]1NCCOCC[NH3+] ZINC000641801503 362756851 /nfs/dbraw/zinc/75/68/51/362756851.db2.gz CUYHDOVSKHDYLH-RKDXNWHRSA-N 2 3 201.314 -0.323 20 0 BBADHP CC1(C)[C@H]([NH3+])C[C@H]1NCCN1CC[NH2+]CC1 ZINC000641802416 362760056 /nfs/dbraw/zinc/76/00/56/362760056.db2.gz KOINKQLRIMXLFD-GHMZBOCLSA-N 2 3 226.368 -0.393 20 0 BBADHP CC1(C)[C@H]([NH3+])C[C@@H]1NCCN1CC[NH2+]CC1 ZINC000641802417 362760227 /nfs/dbraw/zinc/76/02/27/362760227.db2.gz KOINKQLRIMXLFD-MNOVXSKESA-N 2 3 226.368 -0.393 20 0 BBADHP CC1(C)[C@@H]([NH3+])C[C@@H]1NCCN1CC[NH2+]CC1 ZINC000641802418 362759839 /nfs/dbraw/zinc/75/98/39/362759839.db2.gz KOINKQLRIMXLFD-QWRGUYRKSA-N 2 3 226.368 -0.393 20 0 BBADHP CC1(C)[C@H](NCCN2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000641802419 362759548 /nfs/dbraw/zinc/75/95/48/362759548.db2.gz KOINKQLRIMXLFD-WDEREUQCSA-N 2 3 226.368 -0.393 20 0 BBADHP C(NC[C@H]1C[NH2+]CCCO1)C1CC[NH2+]CC1 ZINC000647547779 384749996 /nfs/dbraw/zinc/74/99/96/384749996.db2.gz DMMXYRGKKJPSSJ-GFCCVEGCSA-N 2 3 227.352 -0.046 20 0 BBADHP C(NC[C@@H]1C[NH2+]CCCO1)C1CC[NH2+]CC1 ZINC000647547780 384750983 /nfs/dbraw/zinc/75/09/83/384750983.db2.gz DMMXYRGKKJPSSJ-LBPRGKRZSA-N 2 3 227.352 -0.046 20 0 BBADHP C(CNC[C@@]12C[C@@H]1C[NH2+]C2)CN1CC[NH2+]CC1 ZINC000663493171 411672561 /nfs/dbraw/zinc/67/25/61/411672561.db2.gz GFGCDLHQMOPVIL-CHWSQXEVSA-N 2 3 238.379 -0.519 20 0 BBADHP C(CNC[C@]12C[C@H]1C[NH2+]C2)CN1CC[NH2+]CC1 ZINC000663493193 411673490 /nfs/dbraw/zinc/67/34/90/411673490.db2.gz GFGCDLHQMOPVIL-STQMWFEESA-N 2 3 238.379 -0.519 20 0 BBADHP CN(CCCCCC[NH3+])C[C@@H](O)C[NH3+] ZINC000846221463 588261081 /nfs/dbraw/zinc/26/10/81/588261081.db2.gz YZZJPADGLZYMAB-JTQLQIEISA-N 2 3 203.330 -0.243 20 0 BBADHP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)CN ZINC000846221463 588261080 /nfs/dbraw/zinc/26/10/80/588261080.db2.gz YZZJPADGLZYMAB-JTQLQIEISA-N 2 3 203.330 -0.243 20 0 BBADHP C[N@H+](CCCCCC[NH3+])C[C@@H](O)CN ZINC000846221463 588261079 /nfs/dbraw/zinc/26/10/79/588261079.db2.gz YZZJPADGLZYMAB-JTQLQIEISA-N 2 3 203.330 -0.243 20 0 BBADHP CN(CCCCCC[NH3+])C[C@H](O)C[NH3+] ZINC000846221465 588261406 /nfs/dbraw/zinc/26/14/06/588261406.db2.gz YZZJPADGLZYMAB-SNVBAGLBSA-N 2 3 203.330 -0.243 20 0 BBADHP C[N@@H+](CCCCCC[NH3+])C[C@H](O)CN ZINC000846221465 588261405 /nfs/dbraw/zinc/26/14/05/588261405.db2.gz YZZJPADGLZYMAB-SNVBAGLBSA-N 2 3 203.330 -0.243 20 0 BBADHP C[N@H+](CCCCCC[NH3+])C[C@H](O)CN ZINC000846221465 588261404 /nfs/dbraw/zinc/26/14/04/588261404.db2.gz YZZJPADGLZYMAB-SNVBAGLBSA-N 2 3 203.330 -0.243 20 0 BBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCN)C2 ZINC000903493243 584780834 /nfs/dbraw/zinc/78/08/34/584780834.db2.gz QKAIEUNDDUSJHB-UMNHJUIQSA-N 2 3 241.335 -0.453 20 0 BBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCN)C2 ZINC000903493243 584780833 /nfs/dbraw/zinc/78/08/33/584780833.db2.gz QKAIEUNDDUSJHB-UMNHJUIQSA-N 2 3 241.335 -0.453 20 0 BBADHP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCC[NH3+])C2 ZINC000903493243 584780832 /nfs/dbraw/zinc/78/08/32/584780832.db2.gz QKAIEUNDDUSJHB-UMNHJUIQSA-N 2 3 241.335 -0.453 20 0 BBADHP CNC[C@@](C)(O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499436 584780108 /nfs/dbraw/zinc/78/01/08/584780108.db2.gz VDSNCIUIPMOTEC-IJLUTSLNSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@@](C)(O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499436 584780106 /nfs/dbraw/zinc/78/01/06/584780106.db2.gz VDSNCIUIPMOTEC-IJLUTSLNSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@](C)(O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499437 584779780 /nfs/dbraw/zinc/77/97/80/584779780.db2.gz VDSNCIUIPMOTEC-UTUOFQBUSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@](C)(O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499437 584779778 /nfs/dbraw/zinc/77/97/78/584779778.db2.gz VDSNCIUIPMOTEC-UTUOFQBUSA-N 2 3 229.368 -0.127 20 0 BBADHP C[C@@H]1C[N@@H+](CCN2CCNCC2)C[C@H]1CC[NH3+] ZINC000903500368 584780011 /nfs/dbraw/zinc/78/00/11/584780011.db2.gz YWISCCQHBINSQB-CHWSQXEVSA-N 2 3 240.395 -0.192 20 0 BBADHP C[C@@H]1C[N@H+](CCN2CCNCC2)C[C@H]1CC[NH3+] ZINC000903500368 584780010 /nfs/dbraw/zinc/78/00/10/584780010.db2.gz YWISCCQHBINSQB-CHWSQXEVSA-N 2 3 240.395 -0.192 20 0 BBADHP [NH3+]CCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507332 584781665 /nfs/dbraw/zinc/78/16/65/584781665.db2.gz WOOKABVBYCLBQH-BETUJISGSA-N 2 3 238.379 -0.154 20 0 BBADHP [NH3+]CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507332 584781664 /nfs/dbraw/zinc/78/16/64/584781664.db2.gz WOOKABVBYCLBQH-BETUJISGSA-N 2 3 238.379 -0.154 20 0 BBADHP [NH3+]CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507332 584781663 /nfs/dbraw/zinc/78/16/63/584781663.db2.gz WOOKABVBYCLBQH-BETUJISGSA-N 2 3 238.379 -0.154 20 0 BBADHP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCN1CC[NH2+]CC1)C2 ZINC000903843500 584807612 /nfs/dbraw/zinc/80/76/12/584807612.db2.gz MCJUBWICNHZILY-AVGNSLFASA-N 2 3 238.379 -0.297 20 0 BBADHP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCN1CC[NH2+]CC1)C2 ZINC000903843501 584807696 /nfs/dbraw/zinc/80/76/96/584807696.db2.gz MCJUBWICNHZILY-XQQFMLRXSA-N 2 3 238.379 -0.297 20 0 BBADHP CN(C[C@H](O)C[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918474 584822258 /nfs/dbraw/zinc/82/22/58/584822258.db2.gz AAZYTECCEPUVBM-FGNRJIRKSA-N 2 3 227.352 -0.232 20 0 BBADHP CN(C[C@@H](O)C[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918475 584822644 /nfs/dbraw/zinc/82/26/44/584822644.db2.gz AAZYTECCEPUVBM-YATPEIPISA-N 2 3 227.352 -0.232 20 0 BBADHP CC(C)[C@H]([NH3+])CNC1CCN(CC[NH3+])CC1 ZINC000904350864 584869390 /nfs/dbraw/zinc/86/93/90/584869390.db2.gz RDFSUZSDRLCQRS-GFCCVEGCSA-N 2 3 228.384 -0.018 20 0 BBADHP CC(C)[C@H](N)C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350864 584869388 /nfs/dbraw/zinc/86/93/88/584869388.db2.gz RDFSUZSDRLCQRS-GFCCVEGCSA-N 2 3 228.384 -0.018 20 0 BBADHP CC(C)[C@@H]([NH3+])CNC1CCN(CC[NH3+])CC1 ZINC000904350865 584869466 /nfs/dbraw/zinc/86/94/66/584869466.db2.gz RDFSUZSDRLCQRS-LBPRGKRZSA-N 2 3 228.384 -0.018 20 0 BBADHP CC(C)[C@@H](N)C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350865 584869464 /nfs/dbraw/zinc/86/94/64/584869464.db2.gz RDFSUZSDRLCQRS-LBPRGKRZSA-N 2 3 228.384 -0.018 20 0 BBADHP [NH3+]CCN1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000904354031 584870164 /nfs/dbraw/zinc/87/01/64/584870164.db2.gz UOCDJNXBQNKGAJ-GFCCVEGCSA-N 2 3 240.395 -0.001 20 0 BBADHP [NH3+]CCN1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000904354032 584870234 /nfs/dbraw/zinc/87/02/34/584870234.db2.gz UOCDJNXBQNKGAJ-LBPRGKRZSA-N 2 3 240.395 -0.001 20 0 BBADHP CCN[C@H](C)C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904355428 584870684 /nfs/dbraw/zinc/87/06/84/584870684.db2.gz NQOBTDNGZHXERM-LLVKDONJSA-N 2 3 228.384 -0.003 20 0 BBADHP CC[NH2+][C@H](C)CNC1CCN(CC[NH3+])CC1 ZINC000904355428 584870683 /nfs/dbraw/zinc/87/06/83/584870683.db2.gz NQOBTDNGZHXERM-LLVKDONJSA-N 2 3 228.384 -0.003 20 0 BBADHP C[C@H]1CNCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356075 584871312 /nfs/dbraw/zinc/87/13/12/584871312.db2.gz SSULMQFDBFLZQR-AAEUAGOBSA-N 2 3 240.395 -0.003 20 0 BBADHP C[C@@H]1CNCC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356076 584871306 /nfs/dbraw/zinc/87/13/06/584871306.db2.gz SSULMQFDBFLZQR-DGCLKSJQSA-N 2 3 240.395 -0.003 20 0 BBADHP C[C@H]1CNCC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356077 584871243 /nfs/dbraw/zinc/87/12/43/584871243.db2.gz SSULMQFDBFLZQR-WCQYABFASA-N 2 3 240.395 -0.003 20 0 BBADHP C[C@@H]1CNCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356078 584871397 /nfs/dbraw/zinc/87/13/97/584871397.db2.gz SSULMQFDBFLZQR-YPMHNXCESA-N 2 3 240.395 -0.003 20 0 BBADHP [NH3+]CCN1CCC(NCC2([NH3+])CCC2)CC1 ZINC000904356301 584871304 /nfs/dbraw/zinc/87/13/04/584871304.db2.gz VLLUZCWYDLSXBG-UHFFFAOYSA-N 2 3 226.368 -0.120 20 0 BBADHP C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(CC[NH3+])CC1 ZINC000904356754 584871129 /nfs/dbraw/zinc/87/11/29/584871129.db2.gz ZTURNCQCMJXNHN-AAEUAGOBSA-N 2 3 240.395 -0.003 20 0 BBADHP C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(CC[NH3+])CC1 ZINC000904356755 584871088 /nfs/dbraw/zinc/87/10/88/584871088.db2.gz ZTURNCQCMJXNHN-DGCLKSJQSA-N 2 3 240.395 -0.003 20 0 BBADHP C[C@H]1CC[NH2+]C[C@H]1NC1CCN(CC[NH3+])CC1 ZINC000904356756 584871260 /nfs/dbraw/zinc/87/12/60/584871260.db2.gz ZTURNCQCMJXNHN-WCQYABFASA-N 2 3 240.395 -0.003 20 0 BBADHP C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(CC[NH3+])CC1 ZINC000904356757 584871414 /nfs/dbraw/zinc/87/14/14/584871414.db2.gz ZTURNCQCMJXNHN-YPMHNXCESA-N 2 3 240.395 -0.003 20 0 BBADHP [NH3+]CCN1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000904379019 584876615 /nfs/dbraw/zinc/87/66/15/584876615.db2.gz PLHNFRYXVGHFAE-UHFFFAOYSA-N 2 3 238.379 -0.249 20 0 BBADHP C[C@@H]1C[NH2+]C[C@H]1CNC1CCN(CC[NH3+])CC1 ZINC000904388610 584874626 /nfs/dbraw/zinc/87/46/26/584874626.db2.gz LYJHELCSRVAZJS-NEPJUHHUSA-N 2 3 240.395 -0.145 20 0 BBADHP CC[NH+](CC)CCCNC(CN)C[NH3+] ZINC000923354127 644369073 /nfs/dbraw/zinc/36/90/73/644369073.db2.gz KNEQEJQBTTYFJJ-UHFFFAOYSA-N 2 3 202.346 -0.406 20 0 BBADHP NCC(C[NH3+])NCCC[NH+]1CCCCC1 ZINC000923358428 644368326 /nfs/dbraw/zinc/36/83/26/644368326.db2.gz BKTQCRLZIVVNLC-UHFFFAOYSA-N 2 3 214.357 -0.262 20 0 BBADHP NCC(C[NH3+])NCc1ccc2c(c1)C[NH2+]CC2 ZINC000923358430 644367060 /nfs/dbraw/zinc/36/70/60/644367060.db2.gz BPEMXGQGBSHSRW-UHFFFAOYSA-N 2 3 234.347 -0.292 20 0 BBADHP NCC(C[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000923358710 644367758 /nfs/dbraw/zinc/36/77/58/644367758.db2.gz FLZJSQYZCVQBSE-UHFFFAOYSA-N 2 3 234.347 -0.292 20 0 BBADHP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000923409644 644412452 /nfs/dbraw/zinc/41/24/52/644412452.db2.gz CSSAFZWLBNCIHN-GRYCIOLGSA-N 2 3 239.363 -0.109 20 0 BBADHP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923409645 644411169 /nfs/dbraw/zinc/41/11/69/644411169.db2.gz CSSAFZWLBNCIHN-IJLUTSLNSA-N 2 3 239.363 -0.109 20 0 BBADHP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C[NH3+] ZINC000923409647 644411749 /nfs/dbraw/zinc/41/17/49/644411749.db2.gz CSSAFZWLBNCIHN-UTUOFQBUSA-N 2 3 239.363 -0.109 20 0 BBADHP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1C[NH3+] ZINC000923409649 644412627 /nfs/dbraw/zinc/41/26/27/644412627.db2.gz CSSAFZWLBNCIHN-WOPDTQHZSA-N 2 3 239.363 -0.109 20 0 BBADHP CNC[C@@](C)(O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480077 712334761 /nfs/dbraw/zinc/33/47/61/712334761.db2.gz DYJTXZRECLXLSE-GHMZBOCLSA-N 2 3 215.341 -0.373 20 0 BBADHP CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480077 712334760 /nfs/dbraw/zinc/33/47/60/712334760.db2.gz DYJTXZRECLXLSE-GHMZBOCLSA-N 2 3 215.341 -0.373 20 0 BBADHP CNC[C@](C)(O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480078 712334168 /nfs/dbraw/zinc/33/41/68/712334168.db2.gz DYJTXZRECLXLSE-MNOVXSKESA-N 2 3 215.341 -0.373 20 0 BBADHP CNC[C@](C)(O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480078 712334167 /nfs/dbraw/zinc/33/41/67/712334167.db2.gz DYJTXZRECLXLSE-MNOVXSKESA-N 2 3 215.341 -0.373 20 0 BBADHP CNC[C@](C)(O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480080 712334323 /nfs/dbraw/zinc/33/43/23/712334323.db2.gz DYJTXZRECLXLSE-QWRGUYRKSA-N 2 3 215.341 -0.373 20 0 BBADHP CNC[C@](C)(O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480080 712334322 /nfs/dbraw/zinc/33/43/22/712334322.db2.gz DYJTXZRECLXLSE-QWRGUYRKSA-N 2 3 215.341 -0.373 20 0 BBADHP CNC[C@@](C)(O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480082 712334273 /nfs/dbraw/zinc/33/42/73/712334273.db2.gz DYJTXZRECLXLSE-WDEREUQCSA-N 2 3 215.341 -0.373 20 0 BBADHP CNC[C@@](C)(O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480082 712334272 /nfs/dbraw/zinc/33/42/72/712334272.db2.gz DYJTXZRECLXLSE-WDEREUQCSA-N 2 3 215.341 -0.373 20 0 BBADHP CNC[C@](C)(O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495181 644461465 /nfs/dbraw/zinc/46/14/65/644461465.db2.gz UWYZBXTVJGOYJV-SRVKXCTJSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495181 644461462 /nfs/dbraw/zinc/46/14/62/644461462.db2.gz UWYZBXTVJGOYJV-SRVKXCTJSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@](C)(O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495182 644462266 /nfs/dbraw/zinc/46/22/66/644462266.db2.gz UWYZBXTVJGOYJV-TUAOUCFPSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@](C)(O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495182 644462264 /nfs/dbraw/zinc/46/22/64/644462264.db2.gz UWYZBXTVJGOYJV-TUAOUCFPSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@](C)(O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495183 644463410 /nfs/dbraw/zinc/46/34/10/644463410.db2.gz UWYZBXTVJGOYJV-UTUOFQBUSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@](C)(O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495183 644463407 /nfs/dbraw/zinc/46/34/07/644463407.db2.gz UWYZBXTVJGOYJV-UTUOFQBUSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@](C)(O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495184 644463480 /nfs/dbraw/zinc/46/34/80/644463480.db2.gz UWYZBXTVJGOYJV-WOPDTQHZSA-N 2 3 229.368 -0.127 20 0 BBADHP CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495184 644463476 /nfs/dbraw/zinc/46/34/76/644463476.db2.gz UWYZBXTVJGOYJV-WOPDTQHZSA-N 2 3 229.368 -0.127 20 0 BBADHP [NH3+]CCOCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516519 644480846 /nfs/dbraw/zinc/48/08/46/644480846.db2.gz IKVMUSJXEJMPMA-WDEREUQCSA-N 2 3 213.325 -0.497 20 0 BBADHP C1[NH2+]C[C@H]2C[C@H](N[C@@H]3C[NH2+]CCOC3)CC[C@H]12 ZINC000925704311 646428398 /nfs/dbraw/zinc/42/83/98/646428398.db2.gz GCGYIJXTHVMFEV-FDYHWXHSSA-N 2 3 239.363 -0.048 20 0 BBADHP C1[NH2+]C[C@H]2C[C@H](N[C@@H]3C[NH2+]CCOC3)CC[C@@H]12 ZINC000925704313 646429752 /nfs/dbraw/zinc/42/97/52/646429752.db2.gz GCGYIJXTHVMFEV-UMSGYPCISA-N 2 3 239.363 -0.048 20 0 BBADHP C1[NH2+]C[C@@H]2C[C@H](N[C@@H]3C[NH2+]CCOC3)CC[C@@H]12 ZINC000925704314 646429532 /nfs/dbraw/zinc/42/95/32/646429532.db2.gz GCGYIJXTHVMFEV-WUHRBBMRSA-N 2 3 239.363 -0.048 20 0 BBADHP C1[NH2+]C[C@H]2CC[C@@H](N[C@@H]3C[NH2+]CCOC3)C[C@@H]12 ZINC000925704316 646428737 /nfs/dbraw/zinc/42/87/37/646428737.db2.gz GCGYIJXTHVMFEV-YVECIDJPSA-N 2 3 239.363 -0.048 20 0 BBADHP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@H]1CCNC1 ZINC000925714006 646439631 /nfs/dbraw/zinc/43/96/31/646439631.db2.gz ZHLVSUBGMDRNLO-KNZXXDILSA-N 2 3 225.336 -0.310 20 0 BBADHP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@H]1CCNC1 ZINC000925714007 646438666 /nfs/dbraw/zinc/43/86/66/646438666.db2.gz ZHLVSUBGMDRNLO-MTVMDMGHSA-N 2 3 225.336 -0.310 20 0 BBADHP C[NH2+]C[C@H](C)N[C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925718448 646442235 /nfs/dbraw/zinc/44/22/35/646442235.db2.gz WQDWPFPVNRGWGN-HGCLJGPKSA-N 2 3 227.352 -0.064 20 0 BBADHP C[NH2+]C[C@H](C)N[C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925718450 646442679 /nfs/dbraw/zinc/44/26/79/646442679.db2.gz WQDWPFPVNRGWGN-HHHUOAJASA-N 2 3 227.352 -0.064 20 0 BBADHP C[NH2+]C[C@H](C)N[C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925718451 646442149 /nfs/dbraw/zinc/44/21/49/646442149.db2.gz WQDWPFPVNRGWGN-PREPNJAASA-N 2 3 227.352 -0.064 20 0 BBADHP C[NH2+]C[C@H](C)N[C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925718462 646442704 /nfs/dbraw/zinc/44/27/04/646442704.db2.gz WQDWPFPVNRGWGN-SVNGYHJRSA-N 2 3 227.352 -0.064 20 0 BBADHP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+][C@@H]1CCNC1 ZINC000925720655 646445623 /nfs/dbraw/zinc/44/56/23/646445623.db2.gz ZHLVSUBGMDRNLO-IIRVCBMXSA-N 2 3 225.336 -0.310 20 0 BBADHP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@@H]1CCNC1 ZINC000925720656 646445903 /nfs/dbraw/zinc/44/59/03/646445903.db2.gz ZHLVSUBGMDRNLO-YBXAARCKSA-N 2 3 225.336 -0.310 20 0 BBADHP C[C@@H]1CNC[C@H]1[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925778044 646476265 /nfs/dbraw/zinc/47/62/65/646476265.db2.gz BEXPWZFRNWIUGQ-LYUGOTMTSA-N 2 3 239.363 -0.064 20 0 BBADHP C[C@@H]1CNC[C@H]1[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925778045 646475172 /nfs/dbraw/zinc/47/51/72/646475172.db2.gz BEXPWZFRNWIUGQ-OJEZURLMSA-N 2 3 239.363 -0.064 20 0 BBADHP C[C@@H]1CNC[C@H]1[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925778046 646474629 /nfs/dbraw/zinc/47/46/29/646474629.db2.gz BEXPWZFRNWIUGQ-PQCBQTOFSA-N 2 3 239.363 -0.064 20 0 BBADHP C[C@@H]1CNC[C@H]1[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925778047 646476057 /nfs/dbraw/zinc/47/60/57/646476057.db2.gz BEXPWZFRNWIUGQ-QXMWZZNTSA-N 2 3 239.363 -0.064 20 0 BBADHP C[C@@H](NCCN1CCC([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC000925815817 646491821 /nfs/dbraw/zinc/49/18/21/646491821.db2.gz AIRHYBPLYSCQRT-NEPJUHHUSA-N 2 3 240.395 -0.003 20 0 BBADHP C[C@H](NCCN1CCC([NH3+])CC1)[C@@H]1CC[NH2+]C1 ZINC000925815818 646492896 /nfs/dbraw/zinc/49/28/96/646492896.db2.gz AIRHYBPLYSCQRT-NWDGAFQWSA-N 2 3 240.395 -0.003 20 0 BBADHP C[C@H](NCCN1CCC([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC000925815819 646491922 /nfs/dbraw/zinc/49/19/22/646491922.db2.gz AIRHYBPLYSCQRT-RYUDHWBXSA-N 2 3 240.395 -0.003 20 0 BBADHP C[C@@H](NCCN1CCC([NH3+])CC1)[C@@H]1CC[NH2+]C1 ZINC000925815820 646492872 /nfs/dbraw/zinc/49/28/72/646492872.db2.gz AIRHYBPLYSCQRT-VXGBXAGGSA-N 2 3 240.395 -0.003 20 0 BBADHP [NH3+][C@@H]1CCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817358 646494248 /nfs/dbraw/zinc/49/42/48/646494248.db2.gz QJENXPXVCZCBLH-NEPJUHHUSA-N 2 3 226.368 -0.121 20 0 BBADHP [NH3+][C@H]1CCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817359 646493761 /nfs/dbraw/zinc/49/37/61/646493761.db2.gz QJENXPXVCZCBLH-NWDGAFQWSA-N 2 3 226.368 -0.121 20 0 BBADHP [NH3+][C@H]1CCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817360 646494187 /nfs/dbraw/zinc/49/41/87/646494187.db2.gz QJENXPXVCZCBLH-RYUDHWBXSA-N 2 3 226.368 -0.121 20 0 BBADHP [NH3+][C@@H]1CCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817361 646493734 /nfs/dbraw/zinc/49/37/34/646493734.db2.gz QJENXPXVCZCBLH-VXGBXAGGSA-N 2 3 226.368 -0.121 20 0 BBADHP