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C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)CC#N 1653449806 1170909023 /nfs/dbraw/zinc/90/90/23/1170909023.db2.gz YFBQIIVIVMGSOF-OPRDCNLKSA-N 1 0 198.266 -0.036 20 30 ABEDRO C[C@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)CC#N 1653449801 1170911097 /nfs/dbraw/zinc/91/10/97/1170911097.db2.gz YFBQIIVIVMGSOF-IVZWLZJFSA-N 1 0 198.266 -0.036 20 30 ABEDRO CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N 1667802975 1170956595 /nfs/dbraw/zinc/95/65/95/1170956595.db2.gz MHZGWUAOYLODLM-YUMQZZPRSA-N 1 0 199.254 -0.767 20 30 ABEDRO CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N 1667802972 1170957362 /nfs/dbraw/zinc/95/73/62/1170957362.db2.gz MHZGWUAOYLODLM-HTQZYQBOSA-N 1 0 199.254 -0.767 20 30 ABEDRO CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N 1667802973 1170957368 /nfs/dbraw/zinc/95/73/68/1170957368.db2.gz MHZGWUAOYLODLM-JGVFFNPUSA-N 1 0 199.254 -0.767 20 30 ABEDRO CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N 1667802974 1170958193 /nfs/dbraw/zinc/95/81/93/1170958193.db2.gz MHZGWUAOYLODLM-SFYZADRCSA-N 1 0 199.254 -0.767 20 30 ABEDRO 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COCCN(CCC#N)C(=O)CC[NH3+] 70846504 571732317 /nfs/dbraw/zinc/73/23/17/571732317.db2.gz QPFSYHASWKHOSZ-UHFFFAOYSA-N 1 0 199.254 -0.276 20 30 ABEDRO N#CCN1CC[NH+](CCCCO)CC1 70994856 571762458 /nfs/dbraw/zinc/76/24/58/571762458.db2.gz ZOPUCSIGJSTOHG-UHFFFAOYSA-N 1 0 197.282 -0.100 20 30 ABEDRO C#CCC[N@@H+](C)CC(C)(CO)CO 687801442 571788531 /nfs/dbraw/zinc/78/85/31/571788531.db2.gz NKRKAHCUKCMATK-UHFFFAOYSA-N 1 0 185.267 -0.068 20 30 ABEDRO CNC(=O)CN[C@@H](C)CC#N 37871385 571804907 /nfs/dbraw/zinc/80/49/07/571804907.db2.gz YBJLHUYKPSWMMN-LURJTMIESA-N 1 0 155.201 -0.376 20 30 ABEDRO C[C@H](N[C@H](C)CC#N)C(N)=O 37871466 571807210 /nfs/dbraw/zinc/80/72/10/571807210.db2.gz JCFTYZBUKDHPFX-RITPCOANSA-N 1 0 155.201 -0.248 20 30 ABEDRO C=CCNC(=O)C[NH2+][C@H]1COC[C@@H]1C 710896478 571808060 /nfs/dbraw/zinc/80/80/60/571808060.db2.gz DTZQXEUHGWWDSJ-IUCAKERBSA-N 1 0 198.266 -0.087 20 30 ABEDRO C=CCNC(=O)C[NH2+][C@@H]1COC[C@H]1C 710896482 571808656 /nfs/dbraw/zinc/80/86/56/571808656.db2.gz 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571889298 /nfs/dbraw/zinc/88/92/98/571889298.db2.gz SPDWOHLTQWNLFZ-RKDXNWHRSA-N 1 0 197.282 -0.432 20 30 ABEDRO C=CC[NH2+]C[C@H](O)COCCOC 234717520 571906255 /nfs/dbraw/zinc/90/62/55/571906255.db2.gz RSGYUVHPAKMOIA-VIFPVBQESA-N 1 0 189.255 -0.214 20 30 ABEDRO COCCNC(=[NH2+])N(C)C 139623954 571954919 /nfs/dbraw/zinc/95/49/19/571954919.db2.gz BZPJEFDZLGZYKU-UHFFFAOYSA-N 1 0 145.206 -0.491 20 30 ABEDRO C#CCNC(=O)C[N@H+]1CC[C@H](OC)C1 234793288 571963674 /nfs/dbraw/zinc/96/36/74/571963674.db2.gz FCPJWPQLPOCYIG-VIFPVBQESA-N 1 0 196.250 -0.544 20 30 ABEDRO C#CC[NH2+]CC(=O)N1CC[C@@H](OC)C1 234812250 571967545 /nfs/dbraw/zinc/96/75/45/571967545.db2.gz TVXAABHOGQSKIA-SECBINFHSA-N 1 0 196.250 -0.544 20 30 ABEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](OC)C1 234822276 571970887 /nfs/dbraw/zinc/97/08/87/571970887.db2.gz FCPJWPQLPOCYIG-SECBINFHSA-N 1 0 196.250 -0.544 20 30 ABEDRO C#CCN(CC#N)C(=O)C[NH+](C)C 300851648 571988205 /nfs/dbraw/zinc/98/82/05/571988205.db2.gz LXGCWFOZOGRTMM-UHFFFAOYSA-N 1 0 179.223 -0.467 20 30 ABEDRO N#CCCCN1CC[NH+](CCO)CC1 35151110 572014638 /nfs/dbraw/zinc/01/46/38/572014638.db2.gz TXDANYFOJDGAGH-UHFFFAOYSA-N 1 0 197.282 -0.100 20 30 ABEDRO CC[C@@H](CO)[NH2+]CC(=O)NCCC#N 35116588 572016959 /nfs/dbraw/zinc/01/69/59/572016959.db2.gz OXWOXSAQIUJSEF-QMMMGPOBSA-N 1 0 199.254 -0.623 20 30 ABEDRO C#CC[NH2+]CC(=O)N1CCO[C@H](C)C1 82375601 572020892 /nfs/dbraw/zinc/02/08/92/572020892.db2.gz OKELDGHKCLPPAI-SECBINFHSA-N 1 0 196.250 -0.544 20 30 ABEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O 51838814 572046597 /nfs/dbraw/zinc/04/65/97/572046597.db2.gz QGDMACOJYFSKFW-IUCAKERBSA-N 1 0 198.266 -0.563 20 30 ABEDRO C#CCC[NH2+]CCNC(C)=O 70159583 572183057 /nfs/dbraw/zinc/18/30/57/572183057.db2.gz UODPURTVETUEHB-UHFFFAOYSA-N 1 0 154.213 -0.265 20 30 ABEDRO CS(=O)(=O)CC[NH2+]CCCC#N 37750624 572185830 /nfs/dbraw/zinc/18/58/30/572185830.db2.gz WAXJXKBIDOLZCR-UHFFFAOYSA-N 1 0 190.268 -0.076 20 30 ABEDRO C#CC[NH2+]CCNC(=O)C(C)C 70184583 572191447 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307976660 572328158 /nfs/dbraw/zinc/32/81/58/572328158.db2.gz LTFLSOPWVAVFMR-UHFFFAOYSA-N 1 0 166.224 -0.170 20 30 ABEDRO C#CCNC(=O)CN(C)CC#C 307990242 572347016 /nfs/dbraw/zinc/34/70/16/572347016.db2.gz SQDQIAHVSVTXGR-UHFFFAOYSA-N 1 0 164.208 -0.699 20 30 ABEDRO CON=CC(=O)NCC[NH+](C)C 307988011 572351161 /nfs/dbraw/zinc/35/11/61/572351161.db2.gz RXWBMKVJZZGNTP-UHFFFAOYSA-N 1 0 173.216 -0.704 20 30 ABEDRO COCCC(C)N=NC(N)=[NH2+] 252664712 572352335 /nfs/dbraw/zinc/35/23/35/572352335.db2.gz JMKHHDCWGYXHBC-UHFFFAOYSA-N 1 0 158.205 -0.118 20 30 ABEDRO C#CCONC(=O)[C@H](CC)C[NH3+] 307993275 572367135 /nfs/dbraw/zinc/36/71/35/572367135.db2.gz VCVQIWAFWWVGLB-SSDOTTSWSA-N 1 0 170.212 -0.348 20 30 ABEDRO C#CCONC(=O)[C@@H](CC)C[NH3+] 307993279 572368380 /nfs/dbraw/zinc/36/83/80/572368380.db2.gz VCVQIWAFWWVGLB-ZETCQYMHSA-N 1 0 170.212 -0.348 20 30 ABEDRO NC(=[NH2+])NCCN1C[C@@H]2CC[C@H](C1)O2 196767670 572376894 /nfs/dbraw/zinc/37/68/94/572376894.db2.gz AIQCHLMPDZNSIC-OCAPTIKFSA-N 1 0 198.270 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