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-1.592 10 0 AAAEHM C[C@H](N)N[C@@H](CO)C(=O)[O-] 104653316 573124490 /nfs/dbraw/zinc/12/44/90/573124490.db2.gz BYSANZVNDFADFJ-DMTCNVIQSA-N -1 3 148.162 -1.674 10 0 AAAEHM CC[C@@H](CN)Nc1n[nH]c(=O)[n-]c1=O 82591793 573116468 /nfs/dbraw/zinc/11/64/68/573116468.db2.gz XRVNBRKQOWTUHG-BYPYZUCNSA-N -1 3 199.214 -1.393 10 0 AAAEHM NC(=O)[C@H](N)[C@@H](N)C(=O)[O-] 104647143 573117424 /nfs/dbraw/zinc/11/74/24/573117424.db2.gz NEDYHWJIEGCPIN-JCYAYHJZSA-N -1 3 147.134 -2.789 10 0 AAAEHM NC(=O)[C@@H](N)[C@@H](N)C(=O)[O-] 104647139 573117473 /nfs/dbraw/zinc/11/74/73/573117473.db2.gz NEDYHWJIEGCPIN-NHYDCYSISA-N -1 3 147.134 -2.789 10 0 AAAEHM C[C@@H](NC(=O)c1c[n-]nn1)C(N)=O 88330267 573118701 /nfs/dbraw/zinc/11/87/01/573118701.db2.gz GAAYSEBHGUZDNN-GSVOUGTGSA-N -1 3 183.171 -1.592 10 0 AAAEHM Nc1nc([O-])c(CO)o1 104648353 573118702 /nfs/dbraw/zinc/11/87/02/573118702.db2.gz GARMQGNUZNHUJI-REOHCLBHSA-N -1 3 130.103 -1.781 10 0 AAAEHM C[C@@H](NC(=O)c1cnn[n-]1)C(N)=O 88330267 573118706 /nfs/dbraw/zinc/11/87/06/573118706.db2.gz GAAYSEBHGUZDNN-GSVOUGTGSA-N -1 3 183.171 -1.592 10 0 AAAEHM C[C@@H](NC(=O)c1cn[n-]n1)C(N)=O 88330267 573118711 /nfs/dbraw/zinc/11/87/11/573118711.db2.gz GAAYSEBHGUZDNN-GSVOUGTGSA-N -1 3 183.171 -1.592 10 0 AAAEHM O=C([O-])C1CN(C[C@H](O)CO)C1 114774130 573118725 /nfs/dbraw/zinc/11/87/25/573118725.db2.gz AUWJEDNBRPBAIX-LURJTMIESA-N -1 3 175.184 -1.644 10 0 AAAEHM Nc1nc([O-])c(CO)o1 104648349 573119586 /nfs/dbraw/zinc/11/95/86/573119586.db2.gz GARMQGNUZNHUJI-UWTATZPHSA-N -1 3 130.103 -1.781 10 0 AAAEHM N[C@H]([C@H](O)C(=O)[O-])[C@@H](O)[C@@H](O)CO 238620675 573123014 /nfs/dbraw/zinc/12/30/14/573123014.db2.gz UJPAHHVWBAEKKK-FCAWWPLPSA-N -1 3 195.171 -3.527 10 0 AAAEHM NC(=O)[N-]C(=O)OCCO 104652336 573124474 /nfs/dbraw/zinc/12/44/74/573124474.db2.gz AZCPCPLHKCEVKD-UHFFFAOYSA-N -1 3 148.118 -1.216 10 0 AAAEHM CC(C)(NC(=O)c1c[n-]nn1)C(N)=O 88394163 573125670 /nfs/dbraw/zinc/12/56/70/573125670.db2.gz XIQCVAIUKSEBLZ-UHFFFAOYSA-N -1 3 197.198 -1.202 10 0 AAAEHM CC(C)(NC(=O)c1cnn[n-]1)C(N)=O 88394163 573125674 /nfs/dbraw/zinc/12/56/74/573125674.db2.gz XIQCVAIUKSEBLZ-UHFFFAOYSA-N -1 3 197.198 -1.202 10 0 AAAEHM CC(C)(NC(=O)c1cn[n-]n1)C(N)=O 88394163 573125680 /nfs/dbraw/zinc/12/56/80/573125680.db2.gz XIQCVAIUKSEBLZ-UHFFFAOYSA-N -1 3 197.198 -1.202 10 0 AAAEHM C[C@H](N)N[C@H](CO)C(=O)[O-] 104653320 573126391 /nfs/dbraw/zinc/12/63/91/573126391.db2.gz BYSANZVNDFADFJ-QWWZWVQMSA-N -1 3 148.162 -1.674 10 0 AAAEHM C[C@@H](N)N[C@@H](CO)C(=O)[O-] 104653310 573129199 /nfs/dbraw/zinc/12/91/99/573129199.db2.gz BYSANZVNDFADFJ-IMJSIDKUSA-N -1 3 148.162 -1.674 10 0 AAAEHM CC[C@@H](O)[C@](N)(CO)C(=O)[O-] 238281832 573129829 /nfs/dbraw/zinc/12/98/29/573129829.db2.gz LKRZKJMXSSJLEM-INEUFUBQSA-N -1 3 163.173 -1.468 10 0 AAAEHM CCOC(=O)C(=O)[N-]C(N)=O 238290419 573145474 /nfs/dbraw/zinc/14/54/74/573145474.db2.gz ZSBGOTLBDWFYAU-UHFFFAOYSA-N -1 3 160.129 -1.256 10 0 AAAEHM CCOC(=O)C(=O)[N-]c1nc(N)n[nH]1 238291186 573145986 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168.156 -1.506 10 0 AAAEHM O=C([O-])C1CN(CCO)C1 82713740 573167120 /nfs/dbraw/zinc/16/71/20/573167120.db2.gz RJXFCSRYSITLIA-UHFFFAOYSA-N -1 3 145.158 -1.005 10 0 AAAEHM NCC(=O)NC/C=C\C(=O)[O-] 393506630 573175207 /nfs/dbraw/zinc/17/52/07/573175207.db2.gz CFWGYXWGTTXDMF-UPHRSURJSA-N -1 3 158.157 -1.298 10 0 AAAEHM CN(C=O)c1[n-]nnc1C(N)=O 238304747 573176170 /nfs/dbraw/zinc/17/61/70/573176170.db2.gz IDCBOKKVVPLTOC-UHFFFAOYSA-N -1 3 169.144 -1.504 10 0 AAAEHM CN(C=O)c1nn[n-]c1C(N)=O 238304747 573176175 /nfs/dbraw/zinc/17/61/75/573176175.db2.gz IDCBOKKVVPLTOC-UHFFFAOYSA-N -1 3 169.144 -1.504 10 0 AAAEHM CN(C=O)c1n[n-]nc1C(N)=O 238304747 573176186 /nfs/dbraw/zinc/17/61/86/573176186.db2.gz IDCBOKKVVPLTOC-UHFFFAOYSA-N -1 3 169.144 -1.504 10 0 AAAEHM N[C@H](C(=O)[O-])[C@@H]1C[C@@H](O)CO1 197172095 573177895 /nfs/dbraw/zinc/17/78/95/573177895.db2.gz XAMSFKGGMXPXDZ-WISUUJSJSA-N -1 3 161.157 -1.452 10 0 AAAEHM N[C@H](C(=O)[O-])[C@H]1C[C@@H](O)CO1 197172115 573179541 /nfs/dbraw/zinc/17/95/41/573179541.db2.gz XAMSFKGGMXPXDZ-WDCZJNDASA-N -1 3 161.157 -1.452 10 0 AAAEHM CN(C=O)c1nnc(=O)[n-]c1N 238305167 573181695 /nfs/dbraw/zinc/18/16/95/573181695.db2.gz YNGPEXPVMKXTLX-UHFFFAOYSA-N -1 3 169.144 -1.660 10 0 AAAEHM CCS(=O)(=O)[C@@H](CN)C(=O)[O-] 82776410 573188446 /nfs/dbraw/zinc/18/84/46/573188446.db2.gz QDTAHYAEFHNNPO-BYPYZUCNSA-N -1 3 181.213 -1.167 10 0 AAAEHM CCS(=O)(=O)[C@H](CN)C(=O)[O-] 82776411 573189581 /nfs/dbraw/zinc/18/95/81/573189581.db2.gz QDTAHYAEFHNNPO-SCSAIBSYSA-N -1 3 181.213 -1.167 10 0 AAAEHM CN1[C@H](C(=O)[O-])C[C@@H]2CNC(=O)[C@@H]21 238302015 573191073 /nfs/dbraw/zinc/19/10/73/573191073.db2.gz JDMFGPAEQCTMKR-NGJCXOISSA-N -1 3 184.195 -1.110 10 0 AAAEHM CN1CCOC[C@@H]1[C@@H](N)C(=O)[O-] 238302316 573193619 /nfs/dbraw/zinc/19/36/19/573193619.db2.gz DOTIDJAJZOPOEY-PHDIDXHHSA-N -1 3 174.200 -1.271 10 0 AAAEHM O=C1C=CN[C@]([O-])(F)N1 104692780 573193770 /nfs/dbraw/zinc/19/37/70/573193770.db2.gz KZIVPYKHVYCDFO-SCSAIBSYSA-N -1 3 132.094 -1.207 10 0 AAAEHM CN1CCOC[C@H]1[C@@H](N)C(=O)[O-] 238302485 573196798 /nfs/dbraw/zinc/19/67/98/573196798.db2.gz DOTIDJAJZOPOEY-NTSWFWBYSA-N -1 3 174.200 -1.271 10 0 AAAEHM O=C1C=CN[C@@]([O-])(F)N1 104692775 573196254 /nfs/dbraw/zinc/19/62/54/573196254.db2.gz KZIVPYKHVYCDFO-BYPYZUCNSA-N -1 3 132.094 -1.207 10 0 AAAEHM CC[C@H](O)[C@@](N)(CO)C(=O)[O-] 238312416 573206208 /nfs/dbraw/zinc/20/62/08/573206208.db2.gz LKRZKJMXSSJLEM-NJGYIYPDSA-N -1 3 163.173 -1.468 10 0 AAAEHM CC(=O)c1[nH]c([O-])nc1O 104709130 573206427 /nfs/dbraw/zinc/20/64/27/573206427.db2.gz DRLLYEWRMACRFM-VKHMYHEASA-N -1 3 142.114 -1.217 10 0 AAAEHM N[C@H]1C[C@H](C(=O)[O-])S(=O)(=O)C1 257965476 573206433 /nfs/dbraw/zinc/20/64/33/573206433.db2.gz XXXGOEMFPBKAPK-IUYQGCFVSA-N -1 3 179.197 -1.415 10 0 AAAEHM N[C@@H]1C[C@@H](C(=O)[O-])S(=O)(=O)C1 257965474 573206628 /nfs/dbraw/zinc/20/66/28/573206628.db2.gz XXXGOEMFPBKAPK-DMTCNVIQSA-N -1 3 179.197 -1.415 10 0 AAAEHM CNC1=NC(=O)[C@@H](OC)C(=O)[N-]1 238313212 573206913 /nfs/dbraw/zinc/20/69/13/573206913.db2.gz ZHQFDMHOOHJYKD-UHFFFAOYSA-N -1 3 171.156 -1.767 10 0 AAAEHM O=S(=O)=C1[N-]CCN1 104706952 573207250 /nfs/dbraw/zinc/20/72/50/573207250.db2.gz KKXGWRVQFDUTKA-UHFFFAOYSA-N -1 3 134.160 -1.854 10 0 AAAEHM N[C@@H]1C[C@H](C(=O)[O-])S(=O)(=O)C1 257965477 573207339 /nfs/dbraw/zinc/20/73/39/573207339.db2.gz XXXGOEMFPBKAPK-QWWZWVQMSA-N -1 3 179.197 -1.415 10 0 AAAEHM COC(=O)[C@H]([C@H](C)O)[C@H](N)C(=O)[O-] 212550173 573217560 /nfs/dbraw/zinc/21/75/60/573217560.db2.gz SXYXEWJLVMSNCY-LMVFSUKVSA-N -1 3 191.183 -1.432 10 0 AAAEHM C=C(NC(=O)CNC)C(=O)[O-] 238320879 573221455 /nfs/dbraw/zinc/22/14/55/573221455.db2.gz UIPRWRGPFYDEFG-UHFFFAOYSA-N -1 3 158.157 -1.080 10 0 AAAEHM CN1C(=O)N[C@H](O)c2nn[n-]c21 238321584 573226664 /nfs/dbraw/zinc/22/66/64/573226664.db2.gz AFMKMWXXMWXVFM-SCSAIBSYSA-N -1 3 169.144 -1.045 10 0 AAAEHM CN1C(=O)N[C@H](O)c2[n-]nnc21 238321584 573226670 /nfs/dbraw/zinc/22/66/70/573226670.db2.gz AFMKMWXXMWXVFM-SCSAIBSYSA-N -1 3 169.144 -1.045 10 0 AAAEHM CNc1[nH]c(=O)[n-]c(=O)c1C=O 238321735 573228364 /nfs/dbraw/zinc/22/83/64/573228364.db2.gz CBDKCBYLTVHVQU-UHFFFAOYSA-N -1 3 169.140 -1.083 10 0 AAAEHM CN1C(=O)N[C@@](C)(O)C([O-])(O)C1=O 238321197 573230633 /nfs/dbraw/zinc/23/06/33/573230633.db2.gz LYHBEEUTUADXHY-YFKPBYRVSA-N -1 3 190.155 -2.443 10 0 AAAEHM O=C1O[C@@H]2[C@H](O)CO[C@]2(O)C1([O-])O 104874733 573232903 /nfs/dbraw/zinc/23/29/03/573232903.db2.gz QPPOKIPSRPKDEM-SAMGZKJBSA-N -1 3 192.123 -3.328 10 0 AAAEHM Cn1cnc2c1c([O-])c(N)c(=O)n2C 238323633 573234780 /nfs/dbraw/zinc/23/47/80/573234780.db2.gz VFANUFHYCYJMTA-SCSAIBSYSA-N -1 3 194.194 -1.094 10 0 AAAEHM N#C[N-]C(=O)[C@@H]1COC[C@@H]1N 86075858 573248573 /nfs/dbraw/zinc/24/85/73/573248573.db2.gz VXKRDAFLJXEELP-UHNVWZDZSA-N -1 3 155.157 -1.443 10 0 AAAEHM CNC(=O)c1[nH]c(=O)n(C)c1[O-] 238317029 573248680 /nfs/dbraw/zinc/24/86/80/573248680.db2.gz ZWOJWYHLNUHECS-VKHMYHEASA-N -1 3 171.156 -1.717 10 0 AAAEHM N#C[N-]C(=O)[C@H]1COC[C@@H]1N 86075856 573249819 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NC(=O)n1cc(C=O)c(=O)[n-]c1=O 238562511 573888691 /nfs/dbraw/zinc/88/86/91/573888691.db2.gz PWZATHKPNNIFAG-UHFFFAOYSA-N -1 3 183.123 -1.724 10 0 AAAEHM N=C1[N-]C(=O)[C@@]2(NC=NC2=O)N1 238562676 573889195 /nfs/dbraw/zinc/88/91/95/573889195.db2.gz BEENDWMFVUHGCR-YFKPBYRVSA-N -1 3 167.128 -2.505 10 0 AAAEHM Cc1cnn(C[C@@H](N)C(=O)[O-])c(=O)c1 235806809 573921365 /nfs/dbraw/zinc/92/13/65/573921365.db2.gz KBUZQSQPCXLLHQ-ZCFIWIBFSA-N -1 3 197.194 -1.036 10 0 AAAEHM Cc1cnn(C[C@H](N)C(=O)[O-])c(=O)c1 235807228 573925641 /nfs/dbraw/zinc/92/56/41/573925641.db2.gz KBUZQSQPCXLLHQ-LURJTMIESA-N -1 3 197.194 -1.036 10 0 AAAEHM COC(C[C@H](O)[C@H](N)C(=O)[O-])OC 308469269 573945283 /nfs/dbraw/zinc/94/52/83/573945283.db2.gz HKFAKHPEZHVJPC-NJGYIYPDSA-N -1 3 193.199 -1.232 10 0 AAAEHM N[C@@H](CO)c1nc(-c2cnn[n-]2)no1 87598044 573967114 /nfs/dbraw/zinc/96/71/14/573967114.db2.gz VBEZMLCOWOCYAE-VKHMYHEASA-N -1 3 196.170 -1.153 10 0 AAAEHM N[C@@H](CO)c1nc(-c2c[n-]nn2)no1 87598044 573967119 /nfs/dbraw/zinc/96/71/19/573967119.db2.gz VBEZMLCOWOCYAE-VKHMYHEASA-N -1 3 196.170 -1.153 10 0 AAAEHM N[C@@H](CO)c1nc(-c2cn[n-]n2)no1 87598044 573967127 /nfs/dbraw/zinc/96/71/27/573967127.db2.gz VBEZMLCOWOCYAE-VKHMYHEASA-N -1 3 196.170 -1.153 10 0 AAAEHM NC(=O)NC(=O)c1c[n-]nn1 87602080 573971451 /nfs/dbraw/zinc/97/14/51/573971451.db2.gz NMJZDLREVPLHSR-UHFFFAOYSA-N -1 3 155.117 -1.387 10 0 AAAEHM NC(=O)NC(=O)c1cnn[n-]1 87602080 573971455 /nfs/dbraw/zinc/97/14/55/573971455.db2.gz NMJZDLREVPLHSR-UHFFFAOYSA-N -1 3 155.117 -1.387 10 0 AAAEHM NC(=O)NC(=O)c1cn[n-]n1 87602080 573971457 /nfs/dbraw/zinc/97/14/57/573971457.db2.gz NMJZDLREVPLHSR-UHFFFAOYSA-N -1 3 155.117 -1.387 10 0 AAAEHM C[C@H](O)[C@H](O)C[C@H](N)C(=O)[O-] 81969084 573981839 /nfs/dbraw/zinc/98/18/39/573981839.db2.gz OYEKHRQJWNZJRZ-VAYJURFESA-N -1 3 163.173 -1.470 10 0 AAAEHM CNC(=O)CC[C@H]1NC(=O)[N-]C1=O 197878790 574003587 /nfs/dbraw/zinc/00/35/87/574003587.db2.gz UVXMAKIXJYZPQU-SCSAIBSYSA-N -1 3 185.183 -1.279 10 0 AAAEHM NC[C@H](O)c1n[nH]c(=O)[n-]1 85227510 574017047 /nfs/dbraw/zinc/01/70/47/574017047.db2.gz JWVCSTPSNOZNSN-REOHCLBHSA-N -1 3 144.134 -1.910 10 0 AAAEHM N[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H](O)CO 35940126 574023480 /nfs/dbraw/zinc/02/34/80/574023480.db2.gz UFYKDFXCZBTLOO-SQOUGZDYSA-N -1 3 195.171 -3.527 10 0 in-vitro AAAEHM N[C@H](COC(=O)C1N=N1)C(=O)[O-] 238580660 574023424 /nfs/dbraw/zinc/02/34/24/574023424.db2.gz MVUAJIULNVBLBZ-UWTATZPHSA-N -1 3 173.128 -1.267 10 0 AAAEHM N[C@H](C(=O)[O-])[C@@H](O)[C@@H]1CCOC1 85275269 574024833 /nfs/dbraw/zinc/02/48/33/574024833.db2.gz JVYFOMKHIPRTBR-SRQIZXRXSA-N -1 3 175.184 -1.204 10 0 AAAEHM N[C@H](C(=O)[O-])[C@@H](O)c1ccncn1 85275417 574024820 /nfs/dbraw/zinc/02/48/20/574024820.db2.gz DSCLCLAKDAMSBY-WDSKDSINSA-N -1 3 183.167 -1.078 10 0 AAAEHM Cn1cncc1[C@H](O)[C@H](N)C(=O)[O-] 85275081 574024255 /nfs/dbraw/zinc/02/42/55/574024255.db2.gz JEWWRPRBMRIIAC-WDSKDSINSA-N -1 3 185.183 -1.135 10 0 AAAEHM Cn1cc([C@@H](O)[C@H](N)C(=O)[O-])cn1 85275052 574024344 /nfs/dbraw/zinc/02/43/44/574024344.db2.gz QNXBMGLJNLXWJJ-NTSWFWBYSA-N -1 3 185.183 -1.135 10 0 AAAEHM N[C@H](C(=O)[O-])[C@H](O)c1ccncn1 85275420 574024807 /nfs/dbraw/zinc/02/48/07/574024807.db2.gz DSCLCLAKDAMSBY-NTSWFWBYSA-N -1 3 183.167 -1.078 10 0 AAAEHM Cn1cc([C@H](O)[C@H](N)C(=O)[O-])cn1 85275050 574025775 /nfs/dbraw/zinc/02/57/75/574025775.db2.gz QNXBMGLJNLXWJJ-WDSKDSINSA-N -1 3 185.183 -1.135 10 0 AAAEHM Cn1cc([C@@H](O)[C@@H](N)C(=O)[O-])cn1 85275056 574025831 /nfs/dbraw/zinc/02/58/31/574025831.db2.gz QNXBMGLJNLXWJJ-PHDIDXHHSA-N -1 3 185.183 -1.135 10 0 AAAEHM Cn1cncc1[C@@H](O)[C@H](N)C(=O)[O-] 85275083 574026120 /nfs/dbraw/zinc/02/61/20/574026120.db2.gz JEWWRPRBMRIIAC-NTSWFWBYSA-N -1 3 185.183 -1.135 10 0 AAAEHM N[C@H]1COC[C@H]1c1n[nH]c(=O)[n-]1 85353298 574042770 /nfs/dbraw/zinc/04/27/70/574042770.db2.gz SCBVHXLWZHKTOJ-DMTCNVIQSA-N -1 3 170.172 -1.461 10 0 AAAEHM N[C@@H]1COC[C@H]1c1n[nH]c(=O)[n-]1 85353296 574042836 /nfs/dbraw/zinc/04/28/36/574042836.db2.gz SCBVHXLWZHKTOJ-QWWZWVQMSA-N -1 3 170.172 -1.461 10 0 AAAEHM COc1nc(N)nc(=NN)[n-]1 87863966 574047069 /nfs/dbraw/zinc/04/70/69/574047069.db2.gz XHDYQJCVLJUZJW-UHFFFAOYSA-N -1 3 156.149 -1.252 10 0 AAAEHM COc1nc(N)[n-]c(=NN)n1 87863966 574047071 /nfs/dbraw/zinc/04/70/71/574047071.db2.gz XHDYQJCVLJUZJW-UHFFFAOYSA-N -1 3 156.149 -1.252 10 0 AAAEHM N[C@@H](COC(=O)CNC=O)C(=O)[O-] 238600928 574045884 /nfs/dbraw/zinc/04/58/84/574045884.db2.gz FTLWHROTKXKMRV-BYPYZUCNSA-N -1 3 190.155 -2.313 10 0 AAAEHM C[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@H](C)O 5919560 574412636 /nfs/dbraw/zinc/41/26/36/574412636.db2.gz BUQICHWNXBIBOG-YUPRTTJUSA-N -1 3 190.199 -1.716 10 0 endogenous,in-vitro AAAEHM NC(=O)NC[C@@H](O)C[C@H](N)C(=O)[O-] 14446142 574413406 /nfs/dbraw/zinc/41/34/06/574413406.db2.gz WSFLFFUIEVIDJY-IMJSIDKUSA-N -1 3 191.187 -1.768 10 0 endogenous,in-man AAAEHM NC(=O)[C@@H](O)C[C@H](N)C(=O)[O-] 14453730 574413439 /nfs/dbraw/zinc/41/34/39/574413439.db2.gz VTJRNXQBJNWLRA-HRFVKAFMSA-N -1 3 162.145 -1.315 10 0 endogenous,in-man AAAEHM C[C@H](N)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O 40471026 574414742 /nfs/dbraw/zinc/41/47/42/574414742.db2.gz BUQICHWNXBIBOG-VAYJURFESA-N -1 3 190.199 -1.716 10 0 endogenous,in-vitro AAAEHM O=C(NC1COC1)c1c[n-]nn1 87196083 486892591 /nfs/dbraw/zinc/89/25/91/486892591.db2.gz JSQKZHZDXUTRFO-UHFFFAOYSA-N -1 3 168.156 -1.067 10 0 AAAEHM O=C(NC1COC1)c1cnn[n-]1 87196083 486892594 /nfs/dbraw/zinc/89/25/94/486892594.db2.gz JSQKZHZDXUTRFO-UHFFFAOYSA-N -1 3 168.156 -1.067 10 0 AAAEHM O=C(NC1COC1)c1cn[n-]n1 87196083 486892600 /nfs/dbraw/zinc/89/26/00/486892600.db2.gz JSQKZHZDXUTRFO-UHFFFAOYSA-N -1 3 168.156 -1.067 10 0 AAAEHM COc1nnc(NC(=O)CC(N)=O)[n-]1 679319610 486957442 /nfs/dbraw/zinc/95/74/42/486957442.db2.gz BPHRLHGGEBVZEH-UHFFFAOYSA-N -1 3 199.170 -1.373 10 0 AAAEHM COc1nc(NC(=O)CC(N)=O)n[n-]1 679319610 486957447 /nfs/dbraw/zinc/95/74/47/486957447.db2.gz BPHRLHGGEBVZEH-UHFFFAOYSA-N -1 3 199.170 -1.373 10 0 AAAEHM COc1n[n-]c(NC(=O)CC(N)=O)n1 679319610 486957450 /nfs/dbraw/zinc/95/74/50/486957450.db2.gz BPHRLHGGEBVZEH-UHFFFAOYSA-N -1 3 199.170 -1.373 10 0 AAAEHM C[C@@H](CO)N(C)Cc1nc(=O)[n-][nH]1 308356308 487199738 /nfs/dbraw/zinc/19/97/38/487199738.db2.gz BBPCWWGOJHFVEB-YFKPBYRVSA-N -1 3 186.215 -1.089 10 0 AAAEHM C[C@@H](c1nn[n-]n1)N(C)C(=O)CN 707219247 1441482389 /nfs/dbraw/zinc/48/23/89/1441482389.db2.gz CKPDYADSDACZDM-BYPYZUCNSA-N -1 3 184.203 -1.322 10 0 AAAEHM C[C@@H](c1nnn[n-]1)N(C)C(=O)CN 707219247 1441482390 /nfs/dbraw/zinc/48/23/90/1441482390.db2.gz CKPDYADSDACZDM-BYPYZUCNSA-N -1 3 184.203 -1.322 10 0 AAAEHM NC(=O)[C@H]1CCN1C[C@@H](N)C(=O)[O-] 757140257 582461214 /nfs/dbraw/zinc/46/12/14/582461214.db2.gz DPZRGKYWDCGAGS-RFZPGFLSSA-N -1 3 187.199 -2.042 10 0 AAAEHM NC(=O)[C@@H]1CCN1C[C@@H](N)C(=O)[O-] 757140269 582461748 /nfs/dbraw/zinc/46/17/48/582461748.db2.gz DPZRGKYWDCGAGS-UHNVWZDZSA-N -1 3 187.199 -2.042 10 0 AAAEHM NC(=O)[C@@H]1CCN1C[C@H](N)C(=O)[O-] 757140279 582461841 /nfs/dbraw/zinc/46/18/41/582461841.db2.gz DPZRGKYWDCGAGS-WHFBIAKZSA-N -1 3 187.199 -2.042 10 0 AAAEHM CO[N-]C(=O)[C@@H]1C[C@@H]1C(N)=O 900101600 582569233 /nfs/dbraw/zinc/56/92/33/582569233.db2.gz DVVVVGRSFFWPNF-IUYQGCFVSA-N -1 3 158.157 -1.215 10 0 AAAEHM COC(=O)C[C@H](N)c1nn[n-]n1 260954270 1441996882 /nfs/dbraw/zinc/99/68/82/1441996882.db2.gz HKNWETYQMQHRDZ-VKHMYHEASA-N -1 3 171.160 -1.237 10 0 AAAEHM NC(=O)[C@H]1CCN1C[C@H](N)C(=O)[O-] 757140204 582943873 /nfs/dbraw/zinc/94/38/73/582943873.db2.gz DPZRGKYWDCGAGS-CRCLSJGQSA-N -1 3 187.199 -2.042 10 0 AAAEHM N[C@@H]1C[C@@H]1C(=O)NN1CC(=O)[N-]C1=O 831838993 583076324 /nfs/dbraw/zinc/07/63/24/583076324.db2.gz BCVHUDXHZFCMCY-IUYQGCFVSA-N -1 3 198.182 -2.083 10 0 AAAEHM O=C([N-]OCCO)[C@@H]1[C@H]2COC[C@H]21 832406486 583077913 /nfs/dbraw/zinc/07/79/13/583077913.db2.gz WWIVSMBDLCXLSY-ZMONIFLSSA-N -1 3 187.195 -1.081 10 0 AAAEHM C[C@H](CN[C@@H]1CNOC1)c1nnn[n-]1 703367293 1443187179 /nfs/dbraw/zinc/18/71/79/1443187179.db2.gz WCAHKXPTFBGSQY-PHDIDXHHSA-N -1 3 198.230 -1.204 10 0 AAAEHM C[C@@H](N)C(=O)Nc1nn[n-]n1 199400267 1443705284 /nfs/dbraw/zinc/70/52/84/1443705284.db2.gz IMRUDGHRWVCOFP-UWTATZPHSA-N -1 3 156.149 -1.515 10 0 AAAEHM C[C@@H](N)C(=O)Nc1nnn[n-]1 199400267 1443705287 /nfs/dbraw/zinc/70/52/87/1443705287.db2.gz IMRUDGHRWVCOFP-UWTATZPHSA-N -1 3 156.149 -1.515 10 0 AAAEHM CN(Cc1nn[n-]n1)C(=O)CN 706614573 1443724118 /nfs/dbraw/zinc/72/41/18/1443724118.db2.gz VJIKXDFKAVPNSW-UHFFFAOYSA-N -1 3 170.176 -1.883 10 0 AAAEHM CN(Cc1nnn[n-]1)C(=O)CN 706614573 1443724120 /nfs/dbraw/zinc/72/41/20/1443724120.db2.gz VJIKXDFKAVPNSW-UHFFFAOYSA-N -1 3 170.176 -1.883 10 0 AAAEHM C[C@H](c1nn[n-]n1)N(C)C(=O)CN 707219252 1443965207 /nfs/dbraw/zinc/96/52/07/1443965207.db2.gz CKPDYADSDACZDM-SCSAIBSYSA-N -1 3 184.203 -1.322 10 0 AAAEHM C[C@H](c1nnn[n-]1)N(C)C(=O)CN 707219252 1443965209 /nfs/dbraw/zinc/96/52/09/1443965209.db2.gz CKPDYADSDACZDM-SCSAIBSYSA-N -1 3 184.203 -1.322 10 0 AAAEHM CS(=O)(=O)[N-]C(CO)(CO)CO 170266074 1188782508 /nfs/dbraw/zinc/78/25/08/1188782508.db2.gz 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