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CNC(=O)CCCN(C)CC(=O)NCC(=O)[O-] ZINC000820630871 587060033 /nfs/dbraw/zinc/06/00/33/587060033.db2.gz LOJHFYURTVFTGX-UHFFFAOYSA-N -1 1 245.279 -1.355 20 0 BAADMM CNC(=O)[C@H](C)CN(C)CC(=O)NCC(=O)[O-] ZINC000820631592 587060167 /nfs/dbraw/zinc/06/01/67/587060167.db2.gz ZFHJKGZKINPZSU-SSDOTTSWSA-N -1 1 245.279 -1.499 20 0 BAADMM CNC(=O)[C@@H](C)CN(C)CC(=O)NCC(=O)[O-] ZINC000820631593 587060131 /nfs/dbraw/zinc/06/01/31/587060131.db2.gz ZFHJKGZKINPZSU-ZETCQYMHSA-N -1 1 245.279 -1.499 20 0 BAADMM COC(=O)[C@H](C)CN(C)CC(=O)NCC(=O)[O-] ZINC000820653255 587062734 /nfs/dbraw/zinc/06/27/34/587062734.db2.gz CTAQMYDCYBEZTF-SSDOTTSWSA-N -1 1 246.263 -1.072 20 0 BAADMM COC(=O)[C@@H](C)CN(C)CC(=O)NCC(=O)[O-] ZINC000820653256 587062760 /nfs/dbraw/zinc/06/27/60/587062760.db2.gz CTAQMYDCYBEZTF-ZETCQYMHSA-N -1 1 246.263 -1.072 20 0 BAADMM C[C@H]1C[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820675059 587065222 /nfs/dbraw/zinc/06/52/22/587065222.db2.gz HONHUNHIRKQKAK-NTSWFWBYSA-N -1 1 248.250 -1.017 20 0 BAADMM C[C@@H]1C[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820675062 587065340 /nfs/dbraw/zinc/06/53/40/587065340.db2.gz HONHUNHIRKQKAK-PHDIDXHHSA-N -1 1 248.250 -1.017 20 0 BAADMM C[C@@H]1C[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820675063 587065286 /nfs/dbraw/zinc/06/52/86/587065286.db2.gz HONHUNHIRKQKAK-RITPCOANSA-N -1 1 248.250 -1.017 20 0 BAADMM C[C@H]1C[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820675064 587065577 /nfs/dbraw/zinc/06/55/77/587065577.db2.gz HONHUNHIRKQKAK-WDSKDSINSA-N -1 1 248.250 -1.017 20 0 BAADMM C[C@H](CO)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820792578 587072935 /nfs/dbraw/zinc/07/29/35/587072935.db2.gz AQNKVBQPAMWLIS-RXMQYKEDSA-N -1 1 230.311 -1.071 20 0 BAADMM C[C@@H](CO)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820792579 587073048 /nfs/dbraw/zinc/07/30/48/587073048.db2.gz AQNKVBQPAMWLIS-YFKPBYRVSA-N -1 1 230.311 -1.071 20 0 BAADMM NC(=O)C1(NCC(=O)NCC(=O)[O-])CCCC1 ZINC000821345144 587110012 /nfs/dbraw/zinc/11/00/12/587110012.db2.gz LITWUXJAEAGADQ-UHFFFAOYSA-N -1 1 243.263 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Cc1ccn(CC(N)=O)c(=O)c1-c1nn[n-]n1 ZINC000822370010 587164322 /nfs/dbraw/zinc/16/43/22/587164322.db2.gz RFINYVYXIZMRGF-UHFFFAOYSA-N -1 1 234.219 -1.178 20 0 BAADMM O=C(NCCO)c1ccc(-c2nn[n-]n2)nc1 ZINC000823206195 587208798 /nfs/dbraw/zinc/20/87/98/587208798.db2.gz NNCIZAWOONVNBF-UHFFFAOYSA-N -1 1 234.219 -1.016 20 0 BAADMM O=C(NCCO)c1ccc(-c2nnn[n-]2)nc1 ZINC000823206195 587208797 /nfs/dbraw/zinc/20/87/97/587208797.db2.gz NNCIZAWOONVNBF-UHFFFAOYSA-N -1 1 234.219 -1.016 20 0 BAADMM O=C(Nc1nn[n-]n1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823383495 587219110 /nfs/dbraw/zinc/21/91/10/587219110.db2.gz SORCAEKPKRQXSG-UHFFFAOYSA-N -1 1 246.194 -1.040 20 0 BAADMM OC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC000823715602 587237566 /nfs/dbraw/zinc/23/75/66/587237566.db2.gz VPCLKZRLYQHYDJ-RXMQYKEDSA-N -1 1 237.223 -1.578 20 0 BAADMM OC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC000823715602 587237565 /nfs/dbraw/zinc/23/75/65/587237565.db2.gz VPCLKZRLYQHYDJ-RXMQYKEDSA-N -1 1 237.223 -1.578 20 0 BAADMM OC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC000823715609 587237779 /nfs/dbraw/zinc/23/77/79/587237779.db2.gz VPCLKZRLYQHYDJ-YFKPBYRVSA-N -1 1 237.223 -1.578 20 0 BAADMM OC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC000823715609 587237777 /nfs/dbraw/zinc/23/77/77/587237777.db2.gz VPCLKZRLYQHYDJ-YFKPBYRVSA-N -1 1 237.223 -1.578 20 0 BAADMM C[C@@H](CC(=O)NCc1nn[nH]n1)NC(=O)[O-] ZINC000824672234 587281854 /nfs/dbraw/zinc/28/18/54/587281854.db2.gz UGHAYGQQEXOUSY-BYPYZUCNSA-N -1 1 228.212 -1.138 20 0 BAADMM C[C@H](CC(=O)NCc1nn[nH]n1)NC(=O)[O-] ZINC000824672235 587282149 /nfs/dbraw/zinc/28/21/49/587282149.db2.gz UGHAYGQQEXOUSY-SCSAIBSYSA-N -1 1 228.212 -1.138 20 0 BAADMM C[C@H](C(=O)NCC(=O)[O-])N1CC[C@@H](CO)C1 ZINC000826000877 587348196 /nfs/dbraw/zinc/34/81/96/587348196.db2.gz SERGVHOYRXCAER-HTQZYQBOSA-N -1 1 230.264 -1.110 20 0 BAADMM C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@@H](CO)C1 ZINC000826000878 587348178 /nfs/dbraw/zinc/34/81/78/587348178.db2.gz SERGVHOYRXCAER-JGVFFNPUSA-N -1 1 230.264 -1.110 20 0 BAADMM C[C@H](C(=O)NCC(=O)[O-])N1CC[C@H](CO)C1 ZINC000826000880 587348276 /nfs/dbraw/zinc/34/82/76/587348276.db2.gz SERGVHOYRXCAER-SFYZADRCSA-N -1 1 230.264 -1.110 20 0 BAADMM C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@H](CO)C1 ZINC000826000881 587348061 /nfs/dbraw/zinc/34/80/61/587348061.db2.gz SERGVHOYRXCAER-YUMQZZPRSA-N -1 1 230.264 -1.110 20 0 BAADMM CN1CN(c2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC000826045448 587349212 /nfs/dbraw/zinc/34/92/12/587349212.db2.gz WFCYNLQMUDSZHL-UHFFFAOYSA-N -1 1 246.234 -1.107 20 0 BAADMM CN1CN(c2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC000826045448 587349211 /nfs/dbraw/zinc/34/92/11/587349211.db2.gz WFCYNLQMUDSZHL-UHFFFAOYSA-N -1 1 246.234 -1.107 20 0 BAADMM CN1CN(c2nccnc2-c2nn[n-]n2)CC1=O ZINC000826045520 587349246 /nfs/dbraw/zinc/34/92/46/587349246.db2.gz XYFKBEYGZPSJTB-UHFFFAOYSA-N -1 1 246.234 -1.107 20 0 BAADMM CN1CN(c2nccnc2-c2nnn[n-]2)CC1=O ZINC000826045520 587349245 /nfs/dbraw/zinc/34/92/45/587349245.db2.gz XYFKBEYGZPSJTB-UHFFFAOYSA-N -1 1 246.234 -1.107 20 0 BAADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCO)c1=O ZINC000826356310 587352144 /nfs/dbraw/zinc/35/21/44/587352144.db2.gz LADMKDDVUAPKFH-UHFFFAOYSA-N -1 1 238.207 -2.281 20 0 BAADMM O=C(Nc1nn[n-]n1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826460893 587353055 /nfs/dbraw/zinc/35/30/55/587353055.db2.gz XBGCKTLPQSLRDG-UHFFFAOYSA-N -1 1 246.194 -1.040 20 0 BAADMM O=C1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1 ZINC000826478714 587352864 /nfs/dbraw/zinc/35/28/64/587352864.db2.gz ILJYLFAEDSAYPR-RXMQYKEDSA-N -1 1 246.234 -1.043 20 0 BAADMM O=C1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1 ZINC000826478714 587352863 /nfs/dbraw/zinc/35/28/63/587352863.db2.gz ILJYLFAEDSAYPR-RXMQYKEDSA-N -1 1 246.234 -1.043 20 0 BAADMM O=C1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1 ZINC000826478715 587352832 /nfs/dbraw/zinc/35/28/32/587352832.db2.gz ILJYLFAEDSAYPR-YFKPBYRVSA-N -1 1 246.234 -1.043 20 0 BAADMM O=C1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1 ZINC000826478715 587352831 /nfs/dbraw/zinc/35/28/31/587352831.db2.gz ILJYLFAEDSAYPR-YFKPBYRVSA-N -1 1 246.234 -1.043 20 0 BAADMM O=C1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1 ZINC000826479177 587353259 /nfs/dbraw/zinc/35/32/59/587353259.db2.gz SJCSCGGOUOBIFJ-RXMQYKEDSA-N -1 1 246.234 -1.043 20 0 BAADMM O=C1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1 ZINC000826479177 587353258 /nfs/dbraw/zinc/35/32/58/587353258.db2.gz SJCSCGGOUOBIFJ-RXMQYKEDSA-N -1 1 246.234 -1.043 20 0 BAADMM O=C1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1 ZINC000826479178 587353319 /nfs/dbraw/zinc/35/33/19/587353319.db2.gz SJCSCGGOUOBIFJ-YFKPBYRVSA-N -1 1 246.234 -1.043 20 0 BAADMM O=C1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1 ZINC000826479178 587353318 /nfs/dbraw/zinc/35/33/18/587353318.db2.gz SJCSCGGOUOBIFJ-YFKPBYRVSA-N -1 1 246.234 -1.043 20 0 BAADMM O[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC000826510715 587353441 /nfs/dbraw/zinc/35/34/41/587353441.db2.gz HKGNNBSQFJOSEV-OCAPTIKFSA-N -1 1 248.246 -1.197 20 0 BAADMM O[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC000826510715 587353440 /nfs/dbraw/zinc/35/34/40/587353440.db2.gz HKGNNBSQFJOSEV-OCAPTIKFSA-N -1 1 248.246 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