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/nfs/dbraw/zinc/29/13/37/643291337.db2.gz PIXKNRVVSVUUMY-ZETCQYMHSA-N -1 0 246.291 1.868 20 30 BDEDRM C=C(C)CO[N-]C(=O)C(C)(C)C(F)F ZINC000846533969 643677891 /nfs/dbraw/zinc/67/78/91/643677891.db2.gz QMNBTMMAFGMQIS-UHFFFAOYSA-N -1 0 207.220 1.902 20 30 BDEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C=C(C)C ZINC000073839470 644136534 /nfs/dbraw/zinc/13/65/34/644136534.db2.gz LARLELPDTDWILV-QMMMGPOBSA-N -1 0 235.305 1.274 20 30 BDEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CC(C)C ZINC000073839108 644136600 /nfs/dbraw/zinc/13/66/00/644136600.db2.gz RCSALVGFRQBMFL-QMMMGPOBSA-N -1 0 237.321 1.354 20 30 BDEDRM CCC(C#N)(CC)C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000923070380 644258766 /nfs/dbraw/zinc/25/87/66/644258766.db2.gz VRTDRCNLNMNFAO-VIFPVBQESA-N -1 0 240.303 1.686 20 30 BDEDRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)C1(C#N)CC(C)C1 ZINC000923076715 644259069 /nfs/dbraw/zinc/25/90/69/644259069.db2.gz GCMZZRGLWMHTSD-JUXCKKRKSA-N -1 0 238.287 1.152 20 30 BDEDRM CCC(C#N)(CC)C(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000923077651 644259736 /nfs/dbraw/zinc/25/97/36/644259736.db2.gz VSIGESCOAGEWID-RKDXNWHRSA-N -1 0 240.303 1.542 20 30 BDEDRM CC1CC(C#N)(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC000923099211 644266371 /nfs/dbraw/zinc/26/63/71/644266371.db2.gz WDYCYQFLHWXDOB-MDGUTJNFSA-N -1 0 248.282 1.216 20 30 BDEDRM C=CCCC[C@H](NC(=O)C(C)(C)C#N)C(=O)[O-] ZINC000923104331 644267322 /nfs/dbraw/zinc/26/73/22/644267322.db2.gz NSVGXPLPWNIXIL-VIFPVBQESA-N -1 0 238.287 1.462 20 30 BDEDRM CNC(=O)C(C#N)=C([O-])c1csc(C2CC2)n1 ZINC000194990109 644355595 /nfs/dbraw/zinc/35/55/95/644355595.db2.gz KUKORGUGNBSSHK-ZETCQYMHSA-N -1 0 249.295 1.089 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1C ZINC000092468735 644660368 /nfs/dbraw/zinc/66/03/68/644660368.db2.gz OYRMBUNXPUHITC-NXEZZACHSA-N -1 0 240.303 1.457 20 30 BDEDRM C=CCN(CC(=O)[O-])c1cc(C)nc(CC)n1 ZINC000304391316 644900715 /nfs/dbraw/zinc/90/07/15/644900715.db2.gz YQAMZNPBWGDDDF-UHFFFAOYSA-N -1 0 235.287 1.424 20 30 BDEDRM CCC(=NNC1COc2ccccc21)C(=O)[O-] ZINC000814937885 644946074 /nfs/dbraw/zinc/94/60/74/644946074.db2.gz RCCISQQFRRRORQ-VIFPVBQESA-N -1 0 234.255 1.236 20 30 BDEDRM C#CCCCCCC=Nn1c(=O)[n-][nH]c1=O ZINC000834981850 645154578 /nfs/dbraw/zinc/15/45/78/645154578.db2.gz CELPRGPIZKHJIO-UHFFFAOYSA-N -1 0 222.248 1.107 20 30 BDEDRM CCC(=NN[C@H](CC)C(=O)[O-])c1ccncc1 ZINC000834981437 645155279 /nfs/dbraw/zinc/15/52/79/645155279.db2.gz PCYIPTVZRZLWHR-LLVKDONJSA-N -1 0 235.287 1.649 20 30 BDEDRM CC(C)CN=Nc1ccc(C(=O)[O-])nc1 ZINC000835007191 645160358 /nfs/dbraw/zinc/16/03/58/645160358.db2.gz QKDRXKLBBGJXIX-UHFFFAOYSA-N -1 0 207.233 1.834 20 30 BDEDRM C=C[C@H](CCC(=O)[O-])NC(=O)OC1CCC1 ZINC000926482142 646654912 /nfs/dbraw/zinc/65/49/12/646654912.db2.gz YFPKBRUXGRBWBB-MRVPVSSYSA-N -1 0 227.260 1.685 20 30 BDEDRM Cc1ccnc(N=NC2CC(C(=O)[O-])C2)c1 ZINC000378678189 712357551 /nfs/dbraw/zinc/35/75/51/712357551.db2.gz RVJNXXNXQDNPSF-UHFFFAOYSA-N -1 0 219.244 1.653 20 30 BDEDRM Cc1cccc(C=NNCC(=O)[O-])c1C ZINC000378678183 712357328 /nfs/dbraw/zinc/35/73/28/712357328.db2.gz RUYOFQAQUHJMPP-UHFFFAOYSA-N -1 0 206.245 1.312 20 30 BDEDRM O=C([O-])C1CC(=NO[C@H]2CCCCO2)C1 ZINC000378774243 712360651 /nfs/dbraw/zinc/36/06/51/712360651.db2.gz HBWZUKRHBOYUJQ-NETXQHHPSA-N -1 0 213.233 1.380 20 30 BDEDRM CC(=NNCC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000378871170 712365434 /nfs/dbraw/zinc/36/54/34/712365434.db2.gz OADPWGWAZWYMGN-UHFFFAOYSA-N -1 0 244.653 1.877 20 30 BDEDRM O=C([O-])CNN=C1CCC[C@@H]1CCF ZINC000378854164 712366337 /nfs/dbraw/zinc/36/63/37/712366337.db2.gz INVDRKOXRJGCLA-SSDOTTSWSA-N -1 0 202.229 1.176 20 30 BDEDRM C=CCCN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000713614231 712467067 /nfs/dbraw/zinc/46/70/67/712467067.db2.gz FVEKUQZGSAPFDA-ZETCQYMHSA-N -1 0 205.204 1.357 20 30 BDEDRM CC[C@H](NN=Cc1cnccc1C)C(=O)[O-] ZINC000381448316 710637165 /nfs/dbraw/zinc/63/71/65/710637165.db2.gz GEFDHIXPOMKDLS-JTQLQIEISA-N -1 0 221.260 1.177 20 30 BDEDRM C=CC[C@H](CC)NC(=O)c1cc(C(=O)[O-])on1 ZINC000393805840 710758662 /nfs/dbraw/zinc/75/86/62/710758662.db2.gz XBHDXBBSOUZHSP-ZETCQYMHSA-N -1 0 238.243 1.457 20 30 BDEDRM CC(=NNCC(=O)[O-])c1cccc(F)c1 ZINC000382172698 710804657 /nfs/dbraw/zinc/80/46/57/710804657.db2.gz WWBCNMQZUNJYBI-UHFFFAOYSA-N -1 0 210.208 1.224 20 30 BDEDRM Cc1[nH]c(C=NNC[C@H](C)C#N)cc1C(=O)[O-] ZINC000800814700 710859398 /nfs/dbraw/zinc/85/93/98/710859398.db2.gz VDOFOZBZWCXDTH-SSDOTTSWSA-N -1 0 234.259 1.105 20 30 BDEDRM CNC(=O)C(C#N)=C([O-])c1ccc(C)c(C)c1 ZINC000133207360 710969585 /nfs/dbraw/zinc/96/95/85/710969585.db2.gz PTSGQFPJGMRZIF-LLVKDONJSA-N -1 0 230.267 1.372 20 30 BDEDRM C=C(C)CCNC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000386687670 711035302 /nfs/dbraw/zinc/03/53/02/711035302.db2.gz JQJXPGYAOMWLAR-LBPRGKRZSA-N -1 0 240.303 1.601 20 30 BDEDRM C=C(C)CCNC(=O)N[C@@H](CCCC)C(=O)[O-] ZINC000386762315 711036107 /nfs/dbraw/zinc/03/61/07/711036107.db2.gz IQVIYFRQBGCNTD-JTQLQIEISA-N -1 0 242.319 1.895 20 30 BDEDRM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F ZINC000389362975 711076911 /nfs/dbraw/zinc/07/69/11/711076911.db2.gz TXBHARMADJFJKJ-UWTATZPHSA-N -1 0 241.106 1.954 20 30 BDEDRM C#CC[C@@H](NC(=O)c1cccc(C)c1C)C(=O)[O-] ZINC000149666418 711078991 /nfs/dbraw/zinc/07/89/91/711078991.db2.gz LWFVBOJBDXKWJN-GFCCVEGCSA-N -1 0 245.278 1.510 20 30 BDEDRM C#CCO[N-]C(=O)CSc1ccccc1 ZINC000389646154 711085631 /nfs/dbraw/zinc/08/56/31/711085631.db2.gz SXTCDAASCUVBFZ-UHFFFAOYSA-N -1 0 221.281 1.460 20 30 BDEDRM CC[C@@H](NN=Cc1cnc(C)s1)C(=O)[O-] ZINC000389891702 711096508 /nfs/dbraw/zinc/09/65/08/711096508.db2.gz AEFVIIJEIORWGD-MRVPVSSYSA-N -1 0 227.289 1.238 20 30 BDEDRM C[C@@H]1CC(=NNCC(F)F)CC[C@H]1C(=O)[O-] ZINC000393212813 711154659 /nfs/dbraw/zinc/15/46/59/711154659.db2.gz NFGUZWAWLNAHGW-HTRCEHHLSA-N -1 0 234.246 1.718 20 30 BDEDRM C#CCON=C1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000393218852 711156281 /nfs/dbraw/zinc/15/62/81/711156281.db2.gz SEEGGTCEGSQPOE-RKDXNWHRSA-N -1 0 209.245 1.513 20 30 BDEDRM CCCNN=C1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000393918573 711179400 /nfs/dbraw/zinc/17/94/00/711179400.db2.gz GVUXAOPFKFTNEK-BDAKNGLRSA-N -1 0 212.293 1.863 20 30 BDEDRM C=CCCCNC(=O)N(CC(=O)[O-])C1CC1 ZINC000380801452 710591338 /nfs/dbraw/zinc/59/13/38/710591338.db2.gz OUBANGLUXADWLU-UHFFFAOYSA-N -1 0 226.276 1.211 20 30 BDEDRM CNC(=O)C(C#N)=C([O-])c1sccc1C ZINC000133183847 710969257 /nfs/dbraw/zinc/96/92/57/710969257.db2.gz VCZXVKNPRGNJFA-SSDOTTSWSA-N -1 0 222.269 1.125 20 30 BDEDRM CNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCC2 ZINC000133233047 710969351 /nfs/dbraw/zinc/96/93/51/710969351.db2.gz IJZYTTIQUFBEAG-MRVPVSSYSA-N -1 0 248.307 1.305 20 30 BDEDRM C=CCN(C)c1ccc(C(=O)[O-])c(C)n1 ZINC000133902657 711475013 /nfs/dbraw/zinc/47/50/13/711475013.db2.gz MZQAYWZKRBIJIB-UHFFFAOYSA-N -1 0 206.245 1.710 20 30 BDEDRM O=C([O-])CNN=Cc1ccc(C(F)(F)F)[nH]1 ZINC000393474199 711478778 /nfs/dbraw/zinc/47/87/78/711478778.db2.gz HFRPSQNBIZEEHX-UHFFFAOYSA-N -1 0 235.165 1.042 20 30 BDEDRM C=CCNN=Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC000382369660 711503318 /nfs/dbraw/zinc/50/33/18/711503318.db2.gz ZUPCNCKIQIPXPM-UHFFFAOYSA-N -1 0 207.233 1.131 20 30 BDEDRM C#CCOCSc1n[n-]c(=NCC=C)s1 ZINC000382201785 711553355 /nfs/dbraw/zinc/55/33/55/711553355.db2.gz FHKDZNNDTFMTDY-UHFFFAOYSA-N -1 0 241.341 1.257 20 30 BDEDRM C[C@H]1COC(=O)C1=N[N-]c1cccc(Cl)n1 ZINC000793174010 711774793 /nfs/dbraw/zinc/77/47/93/711774793.db2.gz GEBSCZYKBCXZJB-LURJTMIESA-N -1 0 239.662 1.696 20 30 BDEDRM C=CC(C)(C)CC(=O)N[C@H](CCOC)C(=O)[O-] ZINC000909622666 711786540 /nfs/dbraw/zinc/78/65/40/711786540.db2.gz XDELOKCRJBYXJV-SECBINFHSA-N -1 0 243.303 1.195 20 30 BDEDRM C#CCO[N-]C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000700580713 711997938 /nfs/dbraw/zinc/99/79/38/711997938.db2.gz SWPVKCAQVWTIJK-JTQLQIEISA-N -1 0 244.250 1.007 20 30 BDEDRM C#CCO[N-]C(=O)[C@@H](C)n1cnc2ccccc21 ZINC000700609875 711999522 /nfs/dbraw/zinc/99/95/22/711999522.db2.gz WMEHFOLCPKZVPA-SNVBAGLBSA-N -1 0 243.266 1.278 20 30 BDEDRM CC[C@@](C)(C#N)C(=O)N(C)CCCC(=O)[O-] ZINC000923047700 712294552 /nfs/dbraw/zinc/29/45/52/712294552.db2.gz WVFXUTNVLMNUSD-NSHDSACASA-N -1 0 226.276 1.249 20 30 BDEDRM CON=C1CCc2cccc(C(=O)[O-])c2C1 ZINC000378667385 712356722 /nfs/dbraw/zinc/35/67/22/712356722.db2.gz HFRDSCGMGYVTIB-UHFFFAOYSA-N -1 0 219.240 1.876 20 30 BDEDRM C=CCNN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000378676205 712356935 /nfs/dbraw/zinc/35/69/35/712356935.db2.gz PLTVUACPAHGQNI-WPRPVWTQSA-N -1 0 210.277 1.639 20 30 BDEDRM COc1cccc(C(C)=NNCC(=O)[O-])c1 ZINC000378668932 712356996 /nfs/dbraw/zinc/35/69/96/712356996.db2.gz ILUBPFWDNZILHR-UHFFFAOYSA-N -1 0 222.244 1.093 20 30 BDEDRM Cc1cc(Cl)cc(C)c1C=NNCC(=O)[O-] ZINC000378682391 712357348 /nfs/dbraw/zinc/35/73/48/712357348.db2.gz XUNVKGLXSZJDIT-UHFFFAOYSA-N -1 0 240.690 1.965 20 30 BDEDRM COc1ccc(C=NNCC(=O)[O-])cc1Cl ZINC000378682895 712357634 /nfs/dbraw/zinc/35/76/34/712357634.db2.gz YJHWVCLCXUOJPR-UHFFFAOYSA-N -1 0 242.662 1.357 20 30 BDEDRM CC(C)CCC(=NNCC(=O)[O-])C1CC1 ZINC000378701867 712358194 /nfs/dbraw/zinc/35/81/94/712358194.db2.gz NUECEULNUDPLFM-UHFFFAOYSA-N -1 0 212.293 1.863 20 30 BDEDRM C#CCON=Cc1cccc(C(=O)[O-])c1 ZINC000378698245 712358441 /nfs/dbraw/zinc/35/84/41/712358441.db2.gz MAVVAKJPPAAOBR-UHFFFAOYSA-N -1 0 203.197 1.369 20 30 BDEDRM O=C([O-])CNN=Cc1scnc1C1CC1 ZINC000378744529 712359797 /nfs/dbraw/zinc/35/97/97/712359797.db2.gz QQMCUJLRWNZWMZ-UHFFFAOYSA-N -1 0 225.273 1.029 20 30 BDEDRM CC[C@@H](NN=C(COC)C(C)C)C(=O)[O-] ZINC000380142368 712699247 /nfs/dbraw/zinc/69/92/47/712699247.db2.gz VWYHTOWOIMJPEM-MRVPVSSYSA-N -1 0 216.281 1.098 20 30 BDEDRM C=C(Br)CN(CC)CC(=O)[O-] ZINC000038018072 712798802 /nfs/dbraw/zinc/79/88/02/712798802.db2.gz JRASYLOOZWWUFB-UHFFFAOYSA-N -1 0 222.082 1.302 20 30 BDEDRM Cc1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(F)c1 ZINC000088475722 956911347 /nfs/dbraw/zinc/91/13/47/956911347.db2.gz MCBODUKDDXLPTA-MRVPVSSYSA-N -1 0 242.275 1.788 20 30 BDEDRM C=CC(C)(C)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693015148 957474531 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ZINC000923078888 644263314 /nfs/dbraw/zinc/26/33/14/644263314.db2.gz AWMWDYFXZURXCQ-KBVBSXBZSA-N -1 0 238.287 1.248 20 30 BDEDRM C=CCC[C@H](NC(=O)[C@@](C)(C#N)CC)C(=O)[O-] ZINC000923078330 644263382 /nfs/dbraw/zinc/26/33/82/644263382.db2.gz BJKSNARKVZHXQV-JOYOIKCWSA-N -1 0 238.287 1.462 20 30 BDEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NC)s1 ZINC000193641336 644263770 /nfs/dbraw/zinc/26/37/70/644263770.db2.gz UQDRQXIVHCBJKM-QMMMGPOBSA-N -1 0 236.296 1.379 20 30 BDEDRM CC[C@](C)(C#N)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000923101134 644265454 /nfs/dbraw/zinc/26/54/54/644265454.db2.gz DUGPHXRZPXXBOM-BXKDBHETSA-N -1 0 238.287 1.296 20 30 BDEDRM CCC(C#N)(CC)C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-] ZINC000923100309 644266363 /nfs/dbraw/zinc/26/63/63/644266363.db2.gz CDKVBMUGAMFGHC-IUCAKERBSA-N -1 0 238.287 1.153 20 30 BDEDRM C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000923142119 644276543 /nfs/dbraw/zinc/27/65/43/644276543.db2.gz LQONWYKPMYABPH-YGOYTEALSA-N -1 0 225.288 1.568 20 30 BDEDRM C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000923142808 644277503 /nfs/dbraw/zinc/27/75/03/644277503.db2.gz WYLZETDNDXODSA-DTWKUNHWSA-N -1 0 225.288 1.568 20 30 BDEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccco1 ZINC000086055437 644457332 /nfs/dbraw/zinc/45/73/32/644457332.db2.gz HICIQURNJXAPOD-UHFFFAOYSA-N -1 0 243.284 1.857 20 30 BDEDRM C[C@@H](C#N)CNN=Cc1ccccc1C(=O)[O-] ZINC000771108227 644684743 /nfs/dbraw/zinc/68/47/43/644684743.db2.gz RUALRYNNSVQMMX-VIFPVBQESA-N -1 0 231.255 1.468 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)C[C@@H]1CCCCO1 ZINC000095031517 644739160 /nfs/dbraw/zinc/73/91/60/644739160.db2.gz QGSWYOFBXZBMAL-JTQLQIEISA-N -1 0 241.287 1.045 20 30 BDEDRM C#CCCCCC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000304362725 644897347 /nfs/dbraw/zinc/89/73/47/644897347.db2.gz MYAIUTWAVRZBAO-NSHDSACASA-N -1 0 237.299 1.550 20 30 BDEDRM CCC(=NNC1CCC(COC)CC1)C(=O)[O-] ZINC000834981258 645153829 /nfs/dbraw/zinc/15/38/29/645153829.db2.gz LBMMTKGJWNVYIB-HCCKASOXSA-N -1 0 242.319 1.632 20 30 BDEDRM C=C(C)C[C@H](NC(=O)OCCCF)C(=O)[O-] ZINC000926566115 645287736 /nfs/dbraw/zinc/28/77/36/645287736.db2.gz FFFAVKNSEKHMSC-QMMMGPOBSA-N -1 0 233.239 1.492 20 30 BDEDRM C#CCN(CC(=O)[O-])C(=O)O[C@H](C)CC(C)C ZINC000926486262 646657523 /nfs/dbraw/zinc/65/75/23/646657523.db2.gz FSTXNFMFCQWRAZ-SNVBAGLBSA-N -1 0 241.287 1.577 20 30 BDEDRM Cc1cc(C#N)cc(N[C@H](C)C(=O)[O-])n1 ZINC000157558111 711828494 /nfs/dbraw/zinc/82/84/94/711828494.db2.gz HFYZOUYJHLRTLE-SSDOTTSWSA-N -1 0 205.217 1.147 20 30 BDEDRM CC(C)C1CCC(=NNCC(=O)[O-])CC1 ZINC000378690302 712357531 /nfs/dbraw/zinc/35/75/31/712357531.db2.gz ICUAJFJUKPUEPE-UHFFFAOYSA-N -1 0 212.293 1.863 20 30 BDEDRM CC(=NNC[C@H](C)O)c1csc(C(=O)[O-])c1 ZINC000378677532 712357663 /nfs/dbraw/zinc/35/76/63/712357663.db2.gz QYUGMUXBRMXIPW-LURJTMIESA-N -1 0 242.300 1.141 20 30 BDEDRM CCC(=NNCC(=O)[O-])c1ccccc1 ZINC000378796983 712361730 /nfs/dbraw/zinc/36/17/30/712361730.db2.gz RAOSEDVELAULSZ-UHFFFAOYSA-N -1 0 206.245 1.475 20 30 BDEDRM O=C([O-])C1CC(N=Nc2ccccc2)C1 ZINC000378793300 712361830 /nfs/dbraw/zinc/36/18/30/712361830.db2.gz OWZSOJMPDBWBKQ-UHFFFAOYSA-N -1 0 204.229 1.949 20 30 BDEDRM CC[C@H]1CC[C@@H](C)CC1=NNCC(=O)[O-] ZINC000378875121 712365427 /nfs/dbraw/zinc/36/54/27/712365427.db2.gz YGLHERHEAPSEQA-BDAKNGLRSA-N -1 0 212.293 1.863 20 30 BDEDRM CC[C@@H]1CC[C@H](C)CC1=NNCC(=O)[O-] ZINC000378875122 712365472 /nfs/dbraw/zinc/36/54/72/712365472.db2.gz YGLHERHEAPSEQA-DTWKUNHWSA-N -1 0 212.293 1.863 20 30 BDEDRM CCc1cccc(F)c1C=NNCC(=O)[O-] ZINC000378866518 712364644 /nfs/dbraw/zinc/36/46/44/712364644.db2.gz BVRBEOQTJWCFCK-UHFFFAOYSA-N -1 0 224.235 1.396 20 30 BDEDRM C=CCC[C@H](NC(=O)N(C)CC)C(=O)[O-] ZINC000379855496 712617174 /nfs/dbraw/zinc/61/71/74/712617174.db2.gz BUOGJGRVDPJBQA-QMMMGPOBSA-N -1 0 214.265 1.067 20 30 BDEDRM CC[C@@H](C)NN=Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC000381472098 710642519 /nfs/dbraw/zinc/64/25/19/710642519.db2.gz MZQXDPOKZLHSBU-SSDOTTSWSA-N -1 0 223.276 1.743 20 30 BDEDRM N#Cc1ccc(N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cc1 ZINC000721207843 712898519 /nfs/dbraw/zinc/89/85/19/712898519.db2.gz TYZAWJURWKCBLO-FRRDWIJNSA-N -1 0 242.278 1.715 20 30 BDEDRM CC[C@H](NN=Cc1ccccc1O)C(=O)[O-] ZINC000381531485 710651687 /nfs/dbraw/zinc/65/16/87/710651687.db2.gz ZFNBIRATCPQHID-VIFPVBQESA-N -1 0 222.244 1.179 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H]1CC12CCC2 ZINC000721226874 712899578 /nfs/dbraw/zinc/89/95/78/712899578.db2.gz KLOSQQSWAIBKSC-VIFPVBQESA-N -1 0 238.287 1.211 20 30 BDEDRM CC1(C)CCC(C=NNCC(=O)[O-])CC1 ZINC000382011777 710765016 /nfs/dbraw/zinc/76/50/16/710765016.db2.gz MUXQYXAWERPJHJ-UHFFFAOYSA-N -1 0 212.293 1.863 20 30 BDEDRM Cc1ccc(N=NC2CC(C(=O)[O-])C2)nn1 ZINC000382004214 710765868 /nfs/dbraw/zinc/76/58/68/710765868.db2.gz KMDFKPYYXQOYNH-UHFFFAOYSA-N -1 0 220.232 1.048 20 30 BDEDRM CC(C)[C@@H]1CCCC(=NNCC(=O)[O-])C1 ZINC000382160091 710800795 /nfs/dbraw/zinc/80/07/95/710800795.db2.gz SMBFQIUUBZURGH-SECBINFHSA-N -1 0 212.293 1.863 20 30 BDEDRM CCOCCON=Cc1c[nH]c(C(=O)[O-])c1 ZINC000382173603 710804458 /nfs/dbraw/zinc/80/44/58/710804458.db2.gz XETMQJTWNIUJMY-UHFFFAOYSA-N -1 0 226.232 1.100 20 30 BDEDRM C=C1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC000382559501 710972884 /nfs/dbraw/zinc/97/28/84/710972884.db2.gz QLJRZGIXNUPPEL-UHFFFAOYSA-N -1 0 219.244 1.331 20 30 BDEDRM C[C@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F ZINC000389362967 711077412 /nfs/dbraw/zinc/07/74/12/711077412.db2.gz TXBHARMADJFJKJ-REOHCLBHSA-N -1 0 241.106 1.954 20 30 BDEDRM C#CC[C@@H](NC(=O)Cc1ccc(C)cc1)C(=O)[O-] ZINC000149943982 711088768 /nfs/dbraw/zinc/08/87/68/711088768.db2.gz UVYIMNSJNVOIQH-GFCCVEGCSA-N -1 0 245.278 1.130 20 30 BDEDRM CC[C@H](NN=Cc1sccc1OC)C(=O)[O-] ZINC000390181899 711107109 /nfs/dbraw/zinc/10/71/09/711107109.db2.gz KAXTYWAPHOHNJP-ZETCQYMHSA-N -1 0 242.300 1.543 20 30 BDEDRM O=C([O-])c1cc(C=NNC2CC2)ccc1O ZINC000390214905 711108967 /nfs/dbraw/zinc/10/89/67/711108967.db2.gz WTSNTPXIAZSVLB-UHFFFAOYSA-N -1 0 220.228 1.176 20 30 BDEDRM C#CCON=C1CC[C@H](C(=O)[O-])C[C@H]1C ZINC000393218849 711156310 /nfs/dbraw/zinc/15/63/10/711156310.db2.gz SEEGGTCEGSQPOE-BDAKNGLRSA-N -1 0 209.245 1.513 20 30 BDEDRM CC(=NNCC(=O)[O-])c1ccc(C#N)s1 ZINC000393483923 711160484 /nfs/dbraw/zinc/16/04/84/711160484.db2.gz LQWVPORSGQBTMN-UHFFFAOYSA-N -1 0 223.257 1.018 20 30 BDEDRM O=C([O-])CNN=Cc1c[nH]c2ccccc12 ZINC000393468424 711160529 /nfs/dbraw/zinc/16/05/29/711160529.db2.gz JLPYINYSEIYSSW-UHFFFAOYSA-N -1 0 217.228 1.176 20 30 BDEDRM CCc1ccc(C(C)=NNCC(=O)[O-])cc1 ZINC000393502147 711161143 /nfs/dbraw/zinc/16/11/43/711161143.db2.gz YXYCYXHQXGFLRJ-UHFFFAOYSA-N -1 0 220.272 1.647 20 30 BDEDRM CCCNN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000393511197 711161258 /nfs/dbraw/zinc/16/12/58/711161258.db2.gz YAQJKVOWBISFJS-PSASIEDQSA-N -1 0 212.293 1.863 20 30 BDEDRM CC(=NNCC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000393499691 711161324 /nfs/dbraw/zinc/16/13/24/711161324.db2.gz YYVOYOQKLDNJPA-SECBINFHSA-N -1 0 220.272 1.840 20 30 BDEDRM CC(=NNC1CC1)c1csc(C(=O)[O-])c1 ZINC000393577323 711164676 /nfs/dbraw/zinc/16/46/76/711164676.db2.gz XGQHFFCDWQVMOI-UHFFFAOYSA-N -1 0 224.285 1.922 20 30 BDEDRM O=C([O-])c1ccccc1N=NC1COC1 ZINC000393909728 711178633 /nfs/dbraw/zinc/17/86/33/711178633.db2.gz AXIARCKBDOPFCC-UHFFFAOYSA-N -1 0 206.201 1.183 20 30 BDEDRM C=CCCCNC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000380800274 710591345 /nfs/dbraw/zinc/59/13/45/710591345.db2.gz GPJUEXLGXBQTLG-SECBINFHSA-N -1 0 226.276 1.211 20 30 BDEDRM CCCCC(COC)=NN[C@@H](CC)C(=O)[O-] ZINC000381152883 710605714 /nfs/dbraw/zinc/60/57/14/710605714.db2.gz PJQQLGBAYGJTRL-JTQLQIEISA-N -1 0 230.308 1.632 20 30 BDEDRM CCc1ccc(C=NN[C@H](CC)C(=O)[O-])o1 ZINC000381386751 710630438 /nfs/dbraw/zinc/63/04/38/710630438.db2.gz MHEXAVAKCPRBRJ-SNVBAGLBSA-N -1 0 224.260 1.629 20 30 BDEDRM C#CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000383219672 711476609 /nfs/dbraw/zinc/47/66/09/711476609.db2.gz RIGYHRSMGFNOFU-MXWKQRLJSA-N -1 0 237.299 1.405 20 30 BDEDRM CCc1nc(C#N)cc(NC[C@@H](CC)C(=O)[O-])n1 ZINC000308365616 711523599 /nfs/dbraw/zinc/52/35/99/711523599.db2.gz NYYFYMAOLUHGCU-MRVPVSSYSA-N -1 0 248.286 1.433 20 30 BDEDRM N#Cc1sc(NCCCC(=O)[O-])nc1Cl ZINC000309094008 711662255 /nfs/dbraw/zinc/66/22/55/711662255.db2.gz FYJXCYAEFZWHQH-UHFFFAOYSA-N -1 0 245.691 1.945 20 30 BDEDRM C=CCC[C@H](NC(=O)N(C)CCC)C(=O)[O-] ZINC000309749157 711689332 /nfs/dbraw/zinc/68/93/32/711689332.db2.gz KAAFNAMVQCGFTE-VIFPVBQESA-N -1 0 228.292 1.457 20 30 BDEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccnc1 ZINC000124404511 711712265 /nfs/dbraw/zinc/71/22/65/711712265.db2.gz UMGUGRFWYNAKIU-NSHDSACASA-N -1 0 243.266 1.026 20 30 BDEDRM C#CCCCC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000909493548 711778771 /nfs/dbraw/zinc/77/87/71/711778771.db2.gz FEUGOIVSSAZVKV-LLVKDONJSA-N -1 0 237.299 1.646 20 30 BDEDRM C#CCCCCNC(=O)CCCCC(=O)[O-] ZINC000229615549 711838734 /nfs/dbraw/zinc/83/87/34/711838734.db2.gz KUKOFWDQGGLULO-UHFFFAOYSA-N -1 0 225.288 1.551 20 30 BDEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1 ZINC000133195790 711957414 /nfs/dbraw/zinc/95/74/14/711957414.db2.gz BZJLUODNDBGOKP-LLVKDONJSA-N -1 0 230.267 1.372 20 30 BDEDRM C=CCCC(C)(C)CNC(=O)[C@@H](C)C(=O)[O-] ZINC000704006025 712095950 /nfs/dbraw/zinc/09/59/50/712095950.db2.gz FKYWMXBOQGMJKG-SECBINFHSA-N -1 0 227.304 1.816 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000704088951 712100163 /nfs/dbraw/zinc/10/01/63/712100163.db2.gz ZASZWEPFBAVVDY-NXEZZACHSA-N -1 0 239.315 1.768 20 30 BDEDRM C#CCO[N-]C(=O)COc1cccc(C)c1 ZINC000704300809 712102988 /nfs/dbraw/zinc/10/29/88/712102988.db2.gz WQUZEAXIPNFPBO-UHFFFAOYSA-N -1 0 219.240 1.055 20 30 BDEDRM C#CC[C@@H](NC(=O)[C@H](C)CC(C)C)C(=O)[O-] ZINC000704610283 712111873 /nfs/dbraw/zinc/11/18/73/712111873.db2.gz JLAHJMZNRLBFFF-NXEZZACHSA-N -1 0 225.288 1.261 20 30 BDEDRM CC#CCNC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000704719717 712114093 /nfs/dbraw/zinc/11/40/93/712114093.db2.gz DWAAWUKMSFIMDH-UHFFFAOYSA-N -1 0 221.212 1.039 20 30 BDEDRM 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979289463 /nfs/dbraw/zinc/28/94/63/979289463.db2.gz BUEDXJXIFMLAKK-SECBINFHSA-N -1 0 215.293 1.925 20 30 BDEDRM C=CC[C@@H]([NH2+]Cc1ncccc1OC)C(=O)[O-] ZINC001602842101 979297892 /nfs/dbraw/zinc/29/78/92/979297892.db2.gz LBBKJBZHYKBWRS-SECBINFHSA-N -1 0 236.271 1.209 20 30 BDEDRM C=CC[C@H](OC(=O)[C@](C)(C#N)CC)C(=O)[O-] ZINC001602845553 979302259 /nfs/dbraw/zinc/30/22/59/979302259.db2.gz QUJLWAAPSTXTEO-KWQFWETISA-N -1 0 225.244 1.499 20 30 BDEDRM C=CC[C@H](OC(=O)CCc1ccoc1)C(=O)[O-] ZINC001602845809 979302980 /nfs/dbraw/zinc/30/29/80/979302980.db2.gz XGBPZYQGSLKSGZ-JTQLQIEISA-N -1 0 238.239 1.785 20 30 BDEDRM C=CC[C@@H](OC(=O)COC1CCCC1)C(=O)[O-] ZINC001602845580 979304465 /nfs/dbraw/zinc/30/44/65/979304465.db2.gz REKZVBVIHSAUNR-SNVBAGLBSA-N -1 0 242.271 1.518 20 30 BDEDRM C=CC[C@@H](OC(=O)[C@H]1CC12CC2)C(=O)[O-] ZINC001602844689 979304780 /nfs/dbraw/zinc/30/47/80/979304780.db2.gz FIWNJTKCCRSZEW-HTQZYQBOSA-N -1 0 210.229 1.359 20 30 BDEDRM C=CC[C@@H](OC(=O)c1ccc(N)cc1C)C(=O)[O-] ZINC001602849738 979305462 /nfs/dbraw/zinc/30/54/62/979305462.db2.gz PULUWKSKCDLGMB-LLVKDONJSA-N -1 0 249.266 1.763 20 30 BDEDRM C=CCCCC(=O)N[C@H](COCC=C)C(=O)[O-] ZINC001602860969 979310414 /nfs/dbraw/zinc/31/04/14/979310414.db2.gz VMAYXUHRPVVGQZ-SNVBAGLBSA-N -1 0 241.287 1.115 20 30 BDEDRM C=CCCN(C)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001602880701 979318992 /nfs/dbraw/zinc/31/89/92/979318992.db2.gz YIUDZJJEQZMIFF-QMMMGPOBSA-N -1 0 224.260 1.942 20 30 BDEDRM CC#CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001602945272 979330073 /nfs/dbraw/zinc/33/00/73/979330073.db2.gz FDQIWDYJTDPREG-LLVKDONJSA-N -1 0 249.241 1.481 20 30 BDEDRM C=CCn1cnnc1SCCCCC(=O)[O-] ZINC001602941014 979330545 /nfs/dbraw/zinc/33/05/45/979330545.db2.gz WPVBDJGJAZKQFF-UHFFFAOYSA-N -1 0 241.316 1.811 20 30 BDEDRM C=CCn1cnnc1SC/C(C)=C/C(=O)[O-] ZINC001602940836 979331169 /nfs/dbraw/zinc/33/11/69/979331169.db2.gz SONGTGOKDMADBV-VMPITWQZSA-N -1 0 239.300 1.587 20 30 BDEDRM CC#CC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001602945668 979331634 /nfs/dbraw/zinc/33/16/34/979331634.db2.gz IBYWZVIPXZJINL-ZDUSSCGKSA-N -1 0 245.278 1.569 20 30 BDEDRM CC#CCN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001602949566 979333769 /nfs/dbraw/zinc/33/37/69/979333769.db2.gz OBDIEIAFFJRITF-ZDUSSCGKSA-N -1 0 217.268 1.599 20 30 BDEDRM CC#CCCCC(=O)NCC(C)(C)C(=O)[O-] ZINC001602947327 979334667 /nfs/dbraw/zinc/33/46/67/979334667.db2.gz VJLDZZUFOBIUCO-UHFFFAOYSA-N -1 0 225.288 1.407 20 30 BDEDRM CC#CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001602950009 979337159 /nfs/dbraw/zinc/33/71/59/979337159.db2.gz ZNUMQHFDGZZRMC-UHFFFAOYSA-N -1 0 249.226 1.432 20 30 BDEDRM CC(C)C[C@H](CNC(=O)[C@@H](C)C#N)CC(=O)[O-] ZINC001603042815 979370338 /nfs/dbraw/zinc/37/03/38/979370338.db2.gz XZFTVDBLZIBDBX-UWVGGRQHSA-N -1 0 240.303 1.399 20 30 BDEDRM C[C@@H](C#N)CN(C)Cc1ncc(C(=O)[O-])s1 ZINC001603129466 979384223 /nfs/dbraw/zinc/38/42/23/979384223.db2.gz HUHJGNRBCZUCSY-ZETCQYMHSA-N -1 0 239.300 1.433 20 30 BDEDRM C[C@@H](C#N)Oc1ccccc1NCC(=O)[O-] ZINC001603132404 979384268 /nfs/dbraw/zinc/38/42/68/979384268.db2.gz ZBGDQADIJVUBOA-QMMMGPOBSA-N -1 0 220.228 1.474 20 30 BDEDRM CC[C@H](C#N)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001603488820 979461374 /nfs/dbraw/zinc/46/13/74/979461374.db2.gz RHKPKQWJELKOEX-BBBLOLIVSA-N -1 0 238.287 1.105 20 30 BDEDRM CCC(CC)OC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001603544622 979470808 /nfs/dbraw/zinc/47/08/08/979470808.db2.gz IIXKPODEPQWTOS-NSHDSACASA-N -1 0 227.260 1.723 20 30 BDEDRM CCC(CC)N=Nc1oc(C)nc1-c1nnn[n-]1 ZINC001604019857 979561669 /nfs/dbraw/zinc/56/16/69/979561669.db2.gz QGDHJQHNCNWNFT-UHFFFAOYSA-N -1 0 249.278 1.751 20 30 BDEDRM C[C@@H](CC#N)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001604059207 979568223 /nfs/dbraw/zinc/56/82/23/979568223.db2.gz BWSJCJVEYIXKJK-NHLYECAPSA-N -1 0 248.238 1.409 20 30 BDEDRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)C(C)(C)C#N ZINC001604095454 979570228 /nfs/dbraw/zinc/57/02/28/979570228.db2.gz FXOPLCJUTYPXOZ-YUMQZZPRSA-N -1 0 227.260 1.579 20 30 BDEDRM C[C@@H](CN(C(=O)CCCC#N)C1CC1)C(=O)[O-] ZINC001604149580 979586801 /nfs/dbraw/zinc/58/68/01/979586801.db2.gz CDDZKPHGQWRAPQ-VIFPVBQESA-N -1 0 238.287 1.392 20 30 BDEDRM CC1(C(=O)[O-])CN(Cc2cccc(F)c2C#N)C1 ZINC001604503036 979667705 /nfs/dbraw/zinc/66/77/05/979667705.db2.gz LOYZFNIQVINPME-UHFFFAOYSA-N -1 0 248.257 1.604 20 30 BDEDRM Cc1occc1C(=O)[C@@H](C#N)c1nccn1C ZINC001342175880 979695160 /nfs/dbraw/zinc/69/51/60/979695160.db2.gz WOXCAAILRXOILL-SNVBAGLBSA-N -1 0 229.239 1.812 20 30 BDEDRM CC[C@@H](C#N)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC001604864124 979739017 /nfs/dbraw/zinc/73/90/17/979739017.db2.gz JYLDTBMCQRENOR-ZETCQYMHSA-N -1 0 248.238 1.579 20 30 BDEDRM CC[C@@H](C#N)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001604865516 979742163 /nfs/dbraw/zinc/74/21/63/979742163.db2.gz XSUHNGRLROKFDF-DTWKUNHWSA-N -1 0 224.260 1.002 20 30 BDEDRM CC[C@H](C#N)OC(=O)c1ccc(C(=O)[O-])n1C ZINC001604864848 979742910 /nfs/dbraw/zinc/74/29/10/979742910.db2.gz RJTZXWMVCHNTQX-SSDOTTSWSA-N -1 0 236.227 1.182 20 30 BDEDRM CC[C@H](COC(=O)[C@@H](C)CC#N)C(=O)[O-] ZINC001595176943 979772873 /nfs/dbraw/zinc/77/28/73/979772873.db2.gz KAWSMALUOGHXCD-JGVFFNPUSA-N -1 0 213.233 1.190 20 30 BDEDRM C[C@@H](C#N)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001604979312 979788185 /nfs/dbraw/zinc/78/81/85/979788185.db2.gz ZEXYPWGFZZVRTO-XDVGHUOJSA-N -1 0 234.211 1.019 20 30 BDEDRM CC[C@@H](CC#N)NC(=O)c1cccc(C(=O)[O-])n1 ZINC001604980447 979791277 /nfs/dbraw/zinc/79/12/77/979791277.db2.gz GEFSUNOKGOJHII-QMMMGPOBSA-N -1 0 247.254 1.202 20 30 BDEDRM CC/C=C\[C@@H](OC(=O)CCCC#N)C(=O)[O-] ZINC001605183817 979829323 /nfs/dbraw/zinc/82/93/23/979829323.db2.gz GDAXPQOYUYDQTB-JVBZPZKUSA-N -1 0 225.244 1.643 20 30 BDEDRM N#C[C@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC001342661469 979857079 /nfs/dbraw/zinc/85/70/79/979857079.db2.gz ATZMFYVGANCFHL-YUMQZZPRSA-N -1 0 249.226 1.772 20 30 BDEDRM CCCc1c(C(=O)NCC#N)[nH]c(C)c1C(=O)[O-] ZINC001605364756 979859843 /nfs/dbraw/zinc/85/98/43/979859843.db2.gz QGIJBBXEQMBKQW-UHFFFAOYSA-N -1 0 249.270 1.227 20 30 BDEDRM CCN(C(=O)c1ccc(C(=O)[O-])n1C)[C@@H](C)C#N ZINC001605401294 979866468 /nfs/dbraw/zinc/86/64/68/979866468.db2.gz BSLPYAQPVQJEJF-QMMMGPOBSA-N -1 0 249.270 1.097 20 30 BDEDRM CCN(CC#N)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001605411707 979867522 /nfs/dbraw/zinc/86/75/22/979867522.db2.gz YHXOSDQLIZCBNV-GFCCVEGCSA-N -1 0 243.266 1.529 20 30 BDEDRM CCN(CCO)Cc1cccc(C(=O)[O-])c1C#N ZINC001605450287 979874832 /nfs/dbraw/zinc/87/48/32/979874832.db2.gz XVGJPFDKRIPOCM-UHFFFAOYSA-N -1 0 248.282 1.071 20 30 BDEDRM CCNN=C(C)c1cc(C(=O)[O-])cs1 ZINC001605499164 979884235 /nfs/dbraw/zinc/88/42/35/979884235.db2.gz SERGSIWGUZHBLZ-UHFFFAOYSA-N -1 0 212.274 1.780 20 30 BDEDRM N#CC1CN(C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001605582892 979893022 /nfs/dbraw/zinc/89/30/22/979893022.db2.gz IKSBZMZZTQSUHF-UHFFFAOYSA-N -1 0 245.238 1.372 20 30 BDEDRM N#CC1(COC(=O)CCC(=O)[O-])CCCC1 ZINC001605583037 979893029 /nfs/dbraw/zinc/89/30/29/979893029.db2.gz KHAOZQYUOAOYHO-UHFFFAOYSA-N -1 0 225.244 1.478 20 30 BDEDRM N#C[C@@H]1CC[C@H](OC(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001605583384 979893773 /nfs/dbraw/zinc/89/37/73/979893773.db2.gz SGRJDZADBALHOQ-ZJUUUORDSA-N -1 0 249.266 1.643 20 30 BDEDRM N#CCCNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001605585537 979893952 /nfs/dbraw/zinc/89/39/52/979893952.db2.gz DQYRNGCGNZOKLP-IHWYPQMZSA-N -1 0 234.211 1.021 20 30 BDEDRM CN(CCC#N)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001606105584 979954032 /nfs/dbraw/zinc/95/40/32/979954032.db2.gz GEMRPDRYXHMTQP-GQCTYLIASA-N -1 0 248.238 1.363 20 30 BDEDRM COCCCNC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184240543 979980488 /nfs/dbraw/zinc/98/04/88/979980488.db2.gz GTBIBOQTQLDSBI-UHFFFAOYSA-N -1 0 236.291 1.189 20 30 BDEDRM COCCCON=C(C)c1cc(C(=O)[O-])co1 ZINC001606872763 980061121 /nfs/dbraw/zinc/06/11/21/980061121.db2.gz WIVIDSGDAIRBAJ-UHFFFAOYSA-N -1 0 241.243 1.755 20 30 BDEDRM CCn1nccc1C([O-])=C(C#N)c1ccncn1 ZINC001343351224 980077312 /nfs/dbraw/zinc/07/73/12/980077312.db2.gz ORPRYEIVUBDGGT-SECBINFHSA-N -1 0 241.254 1.183 20 30 BDEDRM Cc1c(C#N)cccc1C(=O)OC1(C(=O)[O-])CC1 ZINC001607504053 980112931 /nfs/dbraw/zinc/11/29/31/980112931.db2.gz AWCIUUMBUPZLEV-UHFFFAOYSA-N -1 0 245.234 1.641 20 30 BDEDRM Cc1ccc([C@H](CNC(=O)CC#N)C(=O)[O-])cc1 ZINC001607755467 980124765 /nfs/dbraw/zinc/12/47/65/980124765.db2.gz RNTUARMPUNEZGK-NSHDSACASA-N -1 0 246.266 1.193 20 30 BDEDRM Cc1nn(C[C@H](C)C#N)c(C)c1C(=O)[O-] ZINC001608006966 980149929 /nfs/dbraw/zinc/14/99/29/980149929.db2.gz HEZZLFQLDQYRLF-ZCFIWIBFSA-N -1 0 207.233 1.358 20 30 BDEDRM Cc1oc(C(=O)[O-])cc1C(=O)O[C@@H](C#N)C1CC1 ZINC001608035864 980155051 /nfs/dbraw/zinc/15/50/51/980155051.db2.gz GNLBOPLCXNHGTO-JTQLQIEISA-N -1 0 249.222 1.745 20 30 BDEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccn1CC ZINC001343590505 980159602 /nfs/dbraw/zinc/15/96/02/980159602.db2.gz PIGUAGOKNSFPID-JTQLQIEISA-N -1 0 245.282 1.133 20 30 BDEDRM N#C[C@H]1CC[C@@H](OC(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001608177843 980176470 /nfs/dbraw/zinc/17/64/70/980176470.db2.gz BYNDCWIYEKLXOS-NWYXOPSVSA-N -1 0 249.266 1.477 20 30 BDEDRM N#CC1(CNc2ccc(C(=O)[O-])cn2)CCC1 ZINC001608175650 980177247 /nfs/dbraw/zinc/17/72/47/980177247.db2.gz LJNPISCGYZMGFO-UHFFFAOYSA-N -1 0 231.255 1.886 20 30 BDEDRM N#C[C@H]1CC[C@H](OC(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001608177842 980177468 /nfs/dbraw/zinc/17/74/68/980177468.db2.gz BYNDCWIYEKLXOS-FGRABYKZSA-N -1 0 249.266 1.477 20 30 BDEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccsc1 ZINC001608186790 980181122 /nfs/dbraw/zinc/18/11/22/980181122.db2.gz WEMSIWHQVZRDSZ-UHFFFAOYSA-N -1 0 238.268 1.189 20 30 BDEDRM N#C[C@H]1C[C@H]1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001608191378 980185389 /nfs/dbraw/zinc/18/53/89/980185389.db2.gz KNBYMYMLTZIDAK-MWLCHTKSSA-N -1 0 245.234 1.379 20 30 BDEDRM O=C(C#CC1CC1)NCC1(C(=O)[O-])CCCCC1 ZINC001608278043 980202070 /nfs/dbraw/zinc/20/20/70/980202070.db2.gz YCHWLIVGDZYPBH-UHFFFAOYSA-N -1 0 249.310 1.551 20 30 BDEDRM O=C([O-])[C@@H]1C[C@@H]1C/N=C/c1ccccc1O ZINC001608810802 980288633 /nfs/dbraw/zinc/28/86/33/980288633.db2.gz FWLPSNLLSGWOPP-IXZJQBKPSA-N -1 0 219.240 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584421998 /nfs/dbraw/zinc/42/19/98/584421998.db2.gz RRGQJSOEGCNIFV-UHFFFAOYSA-N -1 0 235.287 1.394 20 30 BDEDRM CC(C)(C(=O)NCC(=O)[O-])c1ccc(C#N)cc1 ZINC000901431514 584444940 /nfs/dbraw/zinc/44/49/40/584444940.db2.gz OWNIDXQOTDWBLN-UHFFFAOYSA-N -1 0 246.266 1.037 20 30 BDEDRM CCCN(CC(=O)[O-])C(=O)C(C#N)(CC)CC ZINC000901492775 584453067 /nfs/dbraw/zinc/45/30/67/584453067.db2.gz XQSUTPJTJMPBBV-UHFFFAOYSA-N -1 0 240.303 1.640 20 30 BDEDRM C=CCN(CC(=O)[O-])Cc1ccc2c(n1)CCC2 ZINC000901587465 584465213 /nfs/dbraw/zinc/46/52/13/584465213.db2.gz WEOIOLFOTDDAGR-UHFFFAOYSA-N -1 0 246.310 1.643 20 30 BDEDRM C=CC(C)(C)CCNC(=O)[C@@](C)(OC)C(=O)[O-] ZINC000902135906 584526100 /nfs/dbraw/zinc/52/61/00/584526100.db2.gz KAJBBPCUFKLVCX-GFCCVEGCSA-N -1 0 243.303 1.195 20 30 BDEDRM C=CCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000902173263 584534454 /nfs/dbraw/zinc/53/44/54/584534454.db2.gz SATFHZSPPZSCLO-WDEREUQCSA-N -1 0 239.315 1.912 20 30 BDEDRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](C#N)C1 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584969878 /nfs/dbraw/zinc/96/98/78/584969878.db2.gz SNVWILNPLWWNDK-SECBINFHSA-N -1 0 236.271 1.773 20 30 BDEDRM C[C@H](C=NNCC(=O)[O-])CCc1ccccc1 ZINC000814959734 584970415 /nfs/dbraw/zinc/97/04/15/584970415.db2.gz AZTOITWWMUCSSF-NSHDSACASA-N -1 0 234.299 1.915 20 30 BDEDRM C#CC[C@@H](OC(=O)CSCC(=O)[O-])C(C)C ZINC000817668448 584988265 /nfs/dbraw/zinc/98/82/65/584988265.db2.gz ACIQJXFDBTWVCN-SECBINFHSA-N -1 0 244.312 1.395 20 30 BDEDRM C#CCCOC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736077212 584988638 /nfs/dbraw/zinc/98/86/38/584988638.db2.gz PDBNRNPFPWRNBM-UHFFFAOYSA-N -1 0 246.262 1.884 20 30 BDEDRM C=C1CCN(C(=O)CCSCC(=O)[O-])CC1 ZINC000736094497 584989306 /nfs/dbraw/zinc/98/93/06/584989306.db2.gz HWXKSODXGDCCLE-UHFFFAOYSA-N -1 0 243.328 1.373 20 30 BDEDRM C#Cc1ccc(C(=O)N[C@](C)(CC)C(=O)[O-])nc1 ZINC000736093011 584989354 /nfs/dbraw/zinc/98/93/54/584989354.db2.gz PPIGNXBOMIHZLF-CYBMUJFWSA-N -1 0 246.266 1.046 20 30 BDEDRM C=CC[C@H](C)NC(=S)NCCCC(=O)[O-] ZINC000736096233 584989405 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585001362 /nfs/dbraw/zinc/00/13/62/585001362.db2.gz KMMQOWFABHXUSS-IUCAKERBSA-N -1 0 242.275 1.514 20 30 BDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cccnc1 ZINC000819873632 585009152 /nfs/dbraw/zinc/00/91/52/585009152.db2.gz CDYOLAKNQRNCNG-GFCCVEGCSA-N -1 0 248.238 1.129 20 30 BDEDRM C=CCCCOC(=O)C1CCN(C(=O)[O-])CC1 ZINC000737527421 585035199 /nfs/dbraw/zinc/03/51/99/585035199.db2.gz GAQRAJCHLASUJH-UHFFFAOYSA-N -1 0 241.287 1.886 20 30 BDEDRM C[C@H](/N=C\c1cc(Cl)ccc1O)C(=O)[O-] ZINC000738217190 585041710 /nfs/dbraw/zinc/04/17/10/585041710.db2.gz ISYLGNPFJBRFSR-QOICWCORSA-N -1 0 227.647 1.938 20 30 BDEDRM Cn1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)nn1 ZINC000741467005 585114353 /nfs/dbraw/zinc/11/43/53/585114353.db2.gz IVGJIROKVPRYFP-HWKANZROSA-N -1 0 247.229 1.556 20 30 BDEDRM C[C@@H]1OCCC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000747736297 585182995 /nfs/dbraw/zinc/18/29/95/585182995.db2.gz OCIQGQLRBWANAA-QMMMGPOBSA-N -1 0 234.255 1.962 20 30 BDEDRM [O-]c1c(F)cc(C=NN2CCOCC2)cc1F ZINC000749853280 585207453 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/nfs/dbraw/zinc/88/02/44/642880244.db2.gz APNNOMTXPRGNKI-UHFFFAOYSA-N -1 0 207.295 1.873 20 30 BDEDRM C#CCON=C(C)c1cc(C(=O)[O-])c(C)nc1C ZINC000812233192 643235360 /nfs/dbraw/zinc/23/53/60/643235360.db2.gz OAVCMEPHRHLDSW-UHFFFAOYSA-N -1 0 246.266 1.770 20 30 BDEDRM N#Cc1cccc(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000050290402 643677853 /nfs/dbraw/zinc/67/78/53/643677853.db2.gz FMORKSUBMGLTKL-UHFFFAOYSA-N -1 0 230.223 1.362 20 30 BDEDRM C=C(C)CO[N-]C(=O)CSC1CC1 ZINC000846534201 643678109 /nfs/dbraw/zinc/67/81/09/643678109.db2.gz MHPLOHDMHNUHIJ-UHFFFAOYSA-N -1 0 201.291 1.506 20 30 BDEDRM C=CCCCNC(=O)NC(CC)(CC)C(=O)[O-] ZINC000304242722 643695124 /nfs/dbraw/zinc/69/51/24/643695124.db2.gz OFAVQOQVXZWWHC-UHFFFAOYSA-N -1 0 242.319 1.895 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)CSCCCC ZINC000086138030 643922795 /nfs/dbraw/zinc/92/27/95/643922795.db2.gz XZQAWKNULYOMRB-UHFFFAOYSA-N -1 0 245.344 1.619 20 30 BDEDRM CCCC[C@H](NC(=O)[C@](C)(C#N)CC)C(=O)[O-] ZINC000923076308 644257278 /nfs/dbraw/zinc/25/72/78/644257278.db2.gz QLKAFXVACDGAGK-CABZTGNLSA-N -1 0 240.303 1.686 20 30 BDEDRM CC[C@](C)(C#N)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000923079998 644259270 /nfs/dbraw/zinc/25/92/70/644259270.db2.gz VHGZLDDTJVMWCE-JOYOIKCWSA-N -1 0 238.287 1.392 20 30 BDEDRM CC[C@](C)(C#N)C(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000923077690 644259918 /nfs/dbraw/zinc/25/99/18/644259918.db2.gz WRPDDKSTFGWWOA-VAOFZXAKSA-N -1 0 226.276 1.152 20 30 BDEDRM C[C@@H]1CN(C(=O)C(C)(C)C#N)CC[C@@H]1C(=O)[O-] ZINC000923084210 644260745 /nfs/dbraw/zinc/26/07/45/644260745.db2.gz BLKJWTZQFBIDBI-BDAKNGLRSA-N -1 0 238.287 1.105 20 30 BDEDRM CC(C)(C#N)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000923080469 644261409 /nfs/dbraw/zinc/26/14/09/644261409.db2.gz LUAHEWSFKXUOLV-LBPRGKRZSA-N -1 0 238.287 1.249 20 30 BDEDRM CC[C@](C)(C#N)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000923078890 644262700 /nfs/dbraw/zinc/26/27/00/644262700.db2.gz AWMWDYFXZURXCQ-YGOYTEALSA-N -1 0 238.287 1.248 20 30 BDEDRM CC[C@@H](CNC(=O)[C@](C)(C#N)CC)C(=O)[O-] ZINC000923086840 644264097 /nfs/dbraw/zinc/26/40/97/644264097.db2.gz PXMPCWUVHXTBHW-KWQFWETISA-N -1 0 226.276 1.153 20 30 BDEDRM CCn1c(C)cc(C([O-])=C(C#N)C(=O)NC)c1C ZINC000193641353 644264516 /nfs/dbraw/zinc/26/45/16/644264516.db2.gz SOJROWCSCYOXEJ-LLVKDONJSA-N -1 0 247.298 1.193 20 30 BDEDRM CC[C@](C)(C#N)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000923098748 644266398 /nfs/dbraw/zinc/26/63/98/644266398.db2.gz POLHANBMFULHGV-BXKDBHETSA-N -1 0 236.271 1.216 20 30 BDEDRM Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC000085328614 644441331 /nfs/dbraw/zinc/44/13/31/644441331.db2.gz PZPDVQDFZYXPLN-WDEREUQCSA-N -1 0 245.282 1.927 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccnc1 ZINC000092465625 644659049 /nfs/dbraw/zinc/65/90/49/644659049.db2.gz LAFJTBPYTBGGSF-UHFFFAOYSA-N -1 0 235.243 1.186 20 30 BDEDRM C=CCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000303987615 644864121 /nfs/dbraw/zinc/86/41/21/644864121.db2.gz LHOSWCKZUDCKFH-WDEREUQCSA-N -1 0 239.315 1.960 20 30 BDEDRM C=CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000304216057 644877512 /nfs/dbraw/zinc/87/75/12/644877512.db2.gz GIJSCRPSWDRVQR-SECBINFHSA-N -1 0 242.319 1.751 20 30 BDEDRM C#CCO[N-]C(=O)[C@@H](C)c1ccsc1 ZINC000812783226 644931177 /nfs/dbraw/zinc/93/11/77/644931177.db2.gz DXVITILVKDMVNM-QMMMGPOBSA-N -1 0 209.270 1.533 20 30 BDEDRM N#Cc1ccc(C(=O)NOC2CCC2)cc1[O-] ZINC000812787567 644933214 /nfs/dbraw/zinc/93/32/14/644933214.db2.gz XZLCBXXFCFCZLF-UHFFFAOYSA-N -1 0 232.239 1.478 20 30 BDEDRM CC[C@@H](NN=C(C)CC1(OC)CCC1)C(=O)[O-] ZINC000814937341 644945600 /nfs/dbraw/zinc/94/56/00/644945600.db2.gz CKVWMTGGIQQIIE-SNVBAGLBSA-N -1 0 242.319 1.774 20 30 BDEDRM COC[C@@H](C)CN=Nc1ccc(C(=O)[O-])nc1 ZINC000835006827 645160259 /nfs/dbraw/zinc/16/02/59/645160259.db2.gz KHLZAQGLKCOTJW-QMMMGPOBSA-N -1 0 237.259 1.460 20 30 BDEDRM C[C@H]1OCCC1N=Nc1ccc(C(=O)[O-])nc1 ZINC000835007164 645160498 /nfs/dbraw/zinc/16/04/98/645160498.db2.gz PVPNDPPBYWYHOM-SSDOTTSWSA-N -1 0 235.243 1.357 20 30 BDEDRM CC(N=Nc1ccc(C(=O)[O-])nc1)[C@H]1CCOC1 ZINC000835007461 645160550 /nfs/dbraw/zinc/16/05/50/645160550.db2.gz UFWHCUIFUWUYPL-VIFPVBQESA-N -1 0 249.270 1.604 20 30 BDEDRM CC#CC[C@@H](NC(=O)OC1CCCC1)C(=O)[O-] ZINC000926464550 646650354 /nfs/dbraw/zinc/65/03/54/646650354.db2.gz VGXWMELHVXRXNU-SNVBAGLBSA-N -1 0 239.271 1.522 20 30 BDEDRM C#CCN(CC(=O)[O-])C(=O)O[C@@H](C)CC(C)C ZINC000926486261 646657659 /nfs/dbraw/zinc/65/76/59/646657659.db2.gz FSTXNFMFCQWRAZ-JTQLQIEISA-N -1 0 241.287 1.577 20 30 BDEDRM CC(C)OC(=O)N1CCC(C#CC(=O)[O-])CC1 ZINC000926487339 646659913 /nfs/dbraw/zinc/65/99/13/646659913.db2.gz WZGLUMQZGXGTHY-UHFFFAOYSA-N -1 0 239.271 1.331 20 30 BDEDRM O=C([O-])CNN=Cc1cccc(O)c1Cl ZINC000382398254 711601845 /nfs/dbraw/zinc/60/18/45/711601845.db2.gz OWYDASNGEZLGDJ-UHFFFAOYSA-N -1 0 228.635 1.054 20 30 BDEDRM CC(C)O[C@@H]1CC(=NNCC(=O)[O-])C1(C)C ZINC000378670860 712357113 /nfs/dbraw/zinc/35/71/13/712357113.db2.gz JZNVQWYJNJNBBU-SECBINFHSA-N -1 0 228.292 1.240 20 30 BDEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCC(F)F ZINC000378773037 712360422 /nfs/dbraw/zinc/36/04/22/712360422.db2.gz GMZNVZUHYALGPY-RNFRBKRXSA-N -1 0 234.246 1.718 20 30 BDEDRM O=C([O-])CNN=C1CCC[C@H]1CCF ZINC000378854171 712366278 /nfs/dbraw/zinc/36/62/78/712366278.db2.gz INVDRKOXRJGCLA-ZETCQYMHSA-N -1 0 202.229 1.176 20 30 BDEDRM CC[C@H]1C[C@@H](C)CCC1=NNCC(=O)[O-] ZINC000378874727 712365783 /nfs/dbraw/zinc/36/57/83/712365783.db2.gz XHPQQMPRNGDXJQ-IUCAKERBSA-N -1 0 212.293 1.863 20 30 BDEDRM C=C(C)CN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000713614944 712467256 /nfs/dbraw/zinc/46/72/56/712467256.db2.gz MGWRYRSRBMDVTK-ZETCQYMHSA-N -1 0 205.204 1.357 20 30 BDEDRM C#CCC[C@H](O)CN=c1nc(C(C)C)[n-]s1 ZINC000381461643 710639623 /nfs/dbraw/zinc/63/96/23/710639623.db2.gz JTLKQPJFPPXRHE-VIFPVBQESA-N -1 0 239.344 1.270 20 30 BDEDRM C=C(C)CNN=Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC000381516060 710650488 /nfs/dbraw/zinc/65/04/88/710650488.db2.gz SHPGCLARNSDVLI-UHFFFAOYSA-N -1 0 221.260 1.521 20 30 BDEDRM COc1ccccc1C(C)=NNCC(=O)[O-] ZINC000381966905 710761711 /nfs/dbraw/zinc/76/17/11/710761711.db2.gz ANUXOSVICVRQIG-UHFFFAOYSA-N -1 0 222.244 1.093 20 30 BDEDRM O=C([O-])CNN=C1CCc2ccc(F)cc21 ZINC000382155140 710801165 /nfs/dbraw/zinc/80/11/65/710801165.db2.gz QYLWBZVVBSEGJZ-UHFFFAOYSA-N -1 0 222.219 1.150 20 30 BDEDRM C=C[C@@H](C)N=c1ccc(OC(F)F)n[n-]1 ZINC000389619172 711084073 /nfs/dbraw/zinc/08/40/73/711084073.db2.gz HZIYIYRQRYWTSD-ZCFIWIBFSA-N -1 0 215.203 1.486 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)/C=C\C(C)(C)C ZINC000390131610 711105715 /nfs/dbraw/zinc/10/57/15/711105715.db2.gz KGBAWJZIIKQVQO-SREVYHEPSA-N -1 0 225.288 1.688 20 30 BDEDRM CC[C@@H](NN=Cc1ccc(Cl)nc1)C(=O)[O-] ZINC000390331805 711113197 /nfs/dbraw/zinc/11/31/97/711113197.db2.gz KTWATXKRRKAKTD-MRVPVSSYSA-N -1 0 241.678 1.522 20 30 BDEDRM C=CCCCNC(=O)N(CC(=O)[O-])C(C)C ZINC000390427852 711116391 /nfs/dbraw/zinc/11/63/91/711116391.db2.gz XUKGNCLXWCVIOB-UHFFFAOYSA-N -1 0 228.292 1.457 20 30 BDEDRM C=CCNN=Cc1cccc(C(=O)[O-])c1 ZINC000393482006 711160108 /nfs/dbraw/zinc/16/01/08/711160108.db2.gz JAYVRQLROFWQEO-UHFFFAOYSA-N -1 0 204.229 1.494 20 30 BDEDRM CC(=NNCC(=O)[O-])c1cccc(Cl)c1 ZINC000393482052 711160453 /nfs/dbraw/zinc/16/04/53/711160453.db2.gz JHCUEHYYWPLNEW-UHFFFAOYSA-N -1 0 226.663 1.738 20 30 BDEDRM C#CCON=C1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000393218851 711155869 /nfs/dbraw/zinc/15/58/69/711155869.db2.gz SEEGGTCEGSQPOE-IUCAKERBSA-N -1 0 209.245 1.513 20 30 BDEDRM CC[C@@H](NN=C1CCCSC1)C(=O)[O-] ZINC000382326484 711458815 /nfs/dbraw/zinc/45/88/15/711458815.db2.gz VFHPKCOWZLLFHE-MRVPVSSYSA-N -1 0 216.306 1.322 20 30 BDEDRM Cc1cc(C=NNCC(=O)[O-])ccc1Cl ZINC000382192590 711473885 /nfs/dbraw/zinc/47/38/85/711473885.db2.gz HURGSTUWMCGMNW-UHFFFAOYSA-N -1 0 226.663 1.657 20 30 BDEDRM C#CCON=C(C)c1cc(C(=O)[O-])cs1 ZINC000382249134 711505564 /nfs/dbraw/zinc/50/55/64/711505564.db2.gz UQXXZOPTRQBNIL-UHFFFAOYSA-N -1 0 223.253 1.820 20 30 BDEDRM Cc1cc(Cl)cc(C=NNCC(=O)[O-])c1O ZINC000382233360 711644338 /nfs/dbraw/zinc/64/43/38/711644338.db2.gz QAQLSYBTMWMGDH-UHFFFAOYSA-N -1 0 242.662 1.362 20 30 BDEDRM C[C@@]1(C#N)CCCN(c2ccc(C(=O)[O-])cn2)C1 ZINC000592427380 711829530 /nfs/dbraw/zinc/82/95/30/711829530.db2.gz SZGCSOSWLPMUPW-ZDUSSCGKSA-N -1 0 245.282 1.910 20 30 BDEDRM C#CCO[N-]C(=O)CSCc1cccc(C)c1 ZINC000700593716 711999260 /nfs/dbraw/zinc/99/92/60/711999260.db2.gz RAAZBQNRZVHZLZ-UHFFFAOYSA-N -1 0 249.335 1.909 20 30 BDEDRM N#C[C@H]1CCCN(c2ccc(C(=O)[O-])cn2)C1 ZINC000703710763 712084404 /nfs/dbraw/zinc/08/44/04/712084404.db2.gz TZIOKNZYVNJZKV-SECBINFHSA-N -1 0 231.255 1.520 20 30 BDEDRM C=CCCC(C)(C)CNC(=O)[C@H](C)C(=O)[O-] ZINC000704006026 712095653 /nfs/dbraw/zinc/09/56/53/712095653.db2.gz FKYWMXBOQGMJKG-VIFPVBQESA-N -1 0 227.304 1.816 20 30 BDEDRM C=CCN(CC(=O)[O-])c1cc(C2CC2)ncn1 ZINC000710178054 712246898 /nfs/dbraw/zinc/24/68/98/712246898.db2.gz DJHRHPQBAUVUAR-UHFFFAOYSA-N -1 0 233.271 1.431 20 30 BDEDRM C#CCCCS(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000710285515 712250948 /nfs/dbraw/zinc/25/09/48/712250948.db2.gz JVLQSVZKNKQIIC-SSDOTTSWSA-N -1 0 243.250 1.270 20 30 BDEDRM Cc1cc(C)c(C=NNCC(=O)[O-])c(C)c1 ZINC000378684037 712357415 /nfs/dbraw/zinc/35/74/15/712357415.db2.gz ZYGBHROOSPPXGP-UHFFFAOYSA-N -1 0 220.272 1.620 20 30 BDEDRM CC(=NNCC(=O)[O-])c1cccc(F)c1F ZINC000378723682 712358543 /nfs/dbraw/zinc/35/85/43/712358543.db2.gz AFGDBHYKTOGTEV-UHFFFAOYSA-N -1 0 228.198 1.363 20 30 BDEDRM C#CCCCN=c1[n-]nc(C(F)F)o1 ZINC000379643649 712390760 /nfs/dbraw/zinc/39/07/60/712390760.db2.gz WWUWQMDSNINPFY-UHFFFAOYSA-N -1 0 201.176 1.254 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1C ZINC000714394401 712487849 /nfs/dbraw/zinc/48/78/49/712487849.db2.gz PDZQZLUKIKZWEO-WDEREUQCSA-N -1 0 239.315 1.912 20 30 BDEDRM Cc1nc(NC[C@@H]2C[C@@H]2C(=O)[O-])ccc1C#N ZINC000715278891 712515296 /nfs/dbraw/zinc/51/52/96/712515296.db2.gz SZJMHUHZQXEACG-UWVGGRQHSA-N -1 0 231.255 1.394 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000716458959 712562397 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ZINC000829945942 587529626 /nfs/dbraw/zinc/52/96/26/587529626.db2.gz NLWFCEDGXKKQBK-UHFFFAOYSA-N -1 0 233.227 1.338 20 30 BDEDRM CN(CC#N)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830660786 587562896 /nfs/dbraw/zinc/56/28/96/587562896.db2.gz FDYRGCWDBSZJPV-UHFFFAOYSA-N -1 0 236.202 1.119 20 30 BDEDRM N#Cc1ccc(C(=O)OCCNC(=O)[O-])s1 ZINC000831122447 587586689 /nfs/dbraw/zinc/58/66/89/587586689.db2.gz HZTGJMMMLOCQBH-UHFFFAOYSA-N -1 0 240.240 1.044 20 30 BDEDRM N#Cc1cc(F)ccc1NCCNC(=O)[O-] ZINC000831118475 587586729 /nfs/dbraw/zinc/58/67/29/587586729.db2.gz ZZMHCPSTKNMBBQ-UHFFFAOYSA-N -1 0 223.207 1.377 20 30 BDEDRM C[C@H](CC#N)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000831272130 587594663 /nfs/dbraw/zinc/59/46/63/587594663.db2.gz RASZYQVGKAQOPM-MRVPVSSYSA-N -1 0 229.239 1.752 20 30 BDEDRM CC1=NO[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1 ZINC000831272285 587594963 /nfs/dbraw/zinc/59/49/63/587594963.db2.gz TURNKZDWRFFZTI-NSHDSACASA-N -1 0 245.238 1.367 20 30 BDEDRM C#CCO[N-]C(=O)[C@H](C)OCCc1ccccc1 ZINC000832328474 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CC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833400787 587713554 /nfs/dbraw/zinc/71/35/54/587713554.db2.gz PJBRZJNZLGUOKT-UHFFFAOYSA-N -1 0 219.196 1.320 20 30 BDEDRM CC(C)(C#N)OC(=O)CCSCC(=O)[O-] ZINC000833413837 587714064 /nfs/dbraw/zinc/71/40/64/587714064.db2.gz SNRJGKRZGOZJNG-UHFFFAOYSA-N -1 0 231.273 1.040 20 30 BDEDRM CC[C@H](C#N)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000833635816 587725757 /nfs/dbraw/zinc/72/57/57/587725757.db2.gz ARWOHVLIGSSIEI-SNVBAGLBSA-N -1 0 246.266 1.346 20 30 BDEDRM CC[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)[O-] ZINC000833644445 587726193 /nfs/dbraw/zinc/72/61/93/587726193.db2.gz APMCXYWJVPLWFA-NSHDSACASA-N -1 0 247.250 1.507 20 30 BDEDRM Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000833902385 587739200 /nfs/dbraw/zinc/73/92/00/587739200.db2.gz WPJXPQJOJBJGNS-JTQLQIEISA-N -1 0 246.270 1.426 20 30 BDEDRM Cc1ccc(C#N)c(N2CC[C@H](NC(=O)[O-])C2)n1 ZINC000833901030 587739209 /nfs/dbraw/zinc/73/92/09/587739209.db2.gz CRBGLTUHNMILGP-JTQLQIEISA-N -1 0 246.270 1.108 20 30 BDEDRM 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/nfs/dbraw/zinc/34/03/59/634340359.db2.gz MRLYBIQWEDBAPL-LLVKDONJSA-N -1 0 247.298 1.181 20 30 BDEDRM CC(C)(C)SCC(=O)[N-]S(C)(=O)=O ZINC000075796880 635112299 /nfs/dbraw/zinc/11/22/99/635112299.db2.gz INPOIVWATANNJR-UHFFFAOYSA-N -1 0 225.335 1.434 20 30 BDEDRM C=CC(C)(C)C(=O)[N-]OCc1ccccn1 ZINC000909545096 636240792 /nfs/dbraw/zinc/24/07/92/636240792.db2.gz WOFILIZDDOXDNG-UHFFFAOYSA-N -1 0 220.272 1.842 20 30 BDEDRM C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])C1 ZINC000909650924 636374553 /nfs/dbraw/zinc/37/45/53/636374553.db2.gz LDTIPKOFNZHZAD-BDAKNGLRSA-N -1 0 225.288 1.568 20 30 BDEDRM C=C1CCC(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])CC1 ZINC000909651357 636376088 /nfs/dbraw/zinc/37/60/88/636376088.db2.gz CBALWRQRRCIWQN-UWVGGRQHSA-N -1 0 239.315 1.958 20 30 BDEDRM C=C1CCC(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])CC1 ZINC000909651358 636376395 /nfs/dbraw/zinc/37/63/95/636376395.db2.gz CBALWRQRRCIWQN-VHSXEESVSA-N -1 0 239.315 1.958 20 30 BDEDRM C#CC[C@@H](NC(=O)CCC(C)C)C(=O)[O-] ZINC000127423701 636550092 /nfs/dbraw/zinc/55/00/92/636550092.db2.gz GVQJCYJRHYQVST-SECBINFHSA-N -1 0 211.261 1.015 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000191271966 636950906 /nfs/dbraw/zinc/95/09/06/636950906.db2.gz ZPAUGGUKGGFVKU-NXEZZACHSA-N -1 0 223.272 1.132 20 30 BDEDRM C#CCc1c(C)[n-]n(-c2cc(C)nc(C)n2)c1=O ZINC000899347974 637082128 /nfs/dbraw/zinc/08/21/28/637082128.db2.gz LQPZCOMGWSXFRF-NSHDSACASA-N -1 0 242.282 1.455 20 30 BDEDRM CS(=O)(=O)[N-]C(=O)Cc1ccccc1F ZINC000042280132 637137663 /nfs/dbraw/zinc/13/76/63/637137663.db2.gz WIOBCCBTJWJGJG-UHFFFAOYSA-N -1 0 231.248 1.284 20 30 BDEDRM CC[C@@H](Nc1cc(C)cc(C#N)n1)C(=O)[O-] ZINC000900950365 637208934 /nfs/dbraw/zinc/20/89/34/637208934.db2.gz CFACBKYUDXYHOP-SECBINFHSA-N -1 0 219.244 1.537 20 30 BDEDRM N#Cc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000902420161 637305310 /nfs/dbraw/zinc/30/53/10/637305310.db2.gz PNOVYKPPCSSQHS-NSHDSACASA-N -1 0 244.250 1.608 20 30 BDEDRM CCO[C@H]1CCCC(=NN[C@H](CC)C(=O)[O-])C1 ZINC000905470695 637830493 /nfs/dbraw/zinc/83/04/93/637830493.db2.gz XIVWYEPDUKGDMB-WDEREUQCSA-N -1 0 242.319 1.774 20 30 BDEDRM CCO[C@H]1CCCC(=NN[C@@H](CC)C(=O)[O-])C1 ZINC000905470694 637831131 /nfs/dbraw/zinc/83/11/31/637831131.db2.gz XIVWYEPDUKGDMB-QWRGUYRKSA-N -1 0 242.319 1.774 20 30 BDEDRM Cn1cc(/C=C/C(=O)c2ccc(O)cc2[O-])cn1 ZINC000149014191 637900053 /nfs/dbraw/zinc/90/00/53/637900053.db2.gz URYXKEHSJCHQSK-GORDUTHDSA-N -1 0 244.250 1.727 20 30 BDEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)o1 ZINC000129106058 638327238 /nfs/dbraw/zinc/32/72/38/638327238.db2.gz AOYVPBHQGQRCDA-LLVKDONJSA-N -1 0 246.266 1.498 20 30 BDEDRM C=C[C@@H](CC)CC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000907575095 638408226 /nfs/dbraw/zinc/40/82/26/638408226.db2.gz QOHGAJQTIHFPDX-BDAKNGLRSA-N -1 0 213.277 1.520 20 30 BDEDRM C=C[C@@H](CC)CC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000907625654 638422916 /nfs/dbraw/zinc/42/29/16/638422916.db2.gz BFPAYDQAMOGNLJ-GXSJLCMTSA-N -1 0 239.315 1.958 20 30 BDEDRM C=C[C@@H](CC)CC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000907672759 638441379 /nfs/dbraw/zinc/44/13/79/638441379.db2.gz GDHUNNKIDMBFBQ-YUMQZZPRSA-N -1 0 249.257 1.813 20 30 BDEDRM C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000907673751 638442220 /nfs/dbraw/zinc/44/22/20/638442220.db2.gz RKRQZNXSMHGMIS-MXWKQRLJSA-N -1 0 239.315 1.910 20 30 BDEDRM C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000907711534 638451773 /nfs/dbraw/zinc/45/17/73/638451773.db2.gz ZTJWCAVRXOESLI-OPRDCNLKSA-N -1 0 225.288 1.568 20 30 BDEDRM C=C[C@@H](CC)CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000907755514 638462664 /nfs/dbraw/zinc/46/26/64/638462664.db2.gz SXWZHOVYGDUNEQ-GUBZILKMSA-N -1 0 243.278 1.612 20 30 BDEDRM C=C[C@H](CC)CC(=O)NC[C@@H]1C[C@@H]1C(=O)[O-] ZINC000907763816 638464863 /nfs/dbraw/zinc/46/48/63/638464863.db2.gz RCMDYPRLIADOSR-UTLUCORTSA-N -1 0 225.288 1.426 20 30 BDEDRM C=C[C@@H](CC)CC(=O)N[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000907851270 638487566 /nfs/dbraw/zinc/48/75/66/638487566.db2.gz ROGXXTVGYVCUQQ-LPEHRKFASA-N -1 0 225.288 1.568 20 30 BDEDRM C=C1CC(C)(C(=O)N[C@H](CCC)C(=O)[O-])C1 ZINC000908007657 638546218 /nfs/dbraw/zinc/54/62/18/638546218.db2.gz OZYIIPAOJYTAFA-SECBINFHSA-N -1 0 225.288 1.712 20 30 BDEDRM C=CCOCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000908028605 638553403 /nfs/dbraw/zinc/55/34/03/638553403.db2.gz CQRVKQVFKNWPRU-SECBINFHSA-N -1 0 243.303 1.195 20 30 BDEDRM CCC[C@H](NC(=O)[C@](C)(C#N)CC)C(=O)[O-] ZINC000908216547 638617735 /nfs/dbraw/zinc/61/77/35/638617735.db2.gz BZIHQGOFLWNGSV-KWQFWETISA-N -1 0 226.276 1.296 20 30 BDEDRM C#CCCCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000908663263 639040454 /nfs/dbraw/zinc/04/04/54/639040454.db2.gz SMGGTQRIDWYPNC-JTQLQIEISA-N -1 0 223.272 1.256 20 30 BDEDRM C=CCN(CC=C)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000908690698 639046425 /nfs/dbraw/zinc/04/64/25/639046425.db2.gz IEPRGLRWMKZHAT-UHFFFAOYSA-N -1 0 235.283 1.442 20 30 BDEDRM C=CC(C)(C)CC(=O)N[C@@](C)(CC)C(=O)[O-] ZINC000908924095 639101500 /nfs/dbraw/zinc/10/15/00/639101500.db2.gz RCNVSRGSFWQDQA-LBPRGKRZSA-N -1 0 227.304 1.958 20 30 BDEDRM C=C(C)C[C@@H](NC(=O)NC/C=C\CC)C(=O)[O-] ZINC000909037448 639121753 /nfs/dbraw/zinc/12/17/53/639121753.db2.gz IUZRHPAAEDVFAS-WWQCOOJYSA-N -1 0 240.303 1.671 20 30 BDEDRM C=CCCCNC(=O)N[C@@H](CCF)C(=O)[O-] ZINC000909123335 639150394 /nfs/dbraw/zinc/15/03/94/639150394.db2.gz RPWJBBOTPIMMKI-QMMMGPOBSA-N -1 0 232.255 1.065 20 30 BDEDRM C=CC(C)(C)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000909148776 639161999 /nfs/dbraw/zinc/16/19/99/639161999.db2.gz MKZFOQORHWJLEB-MRVPVSSYSA-N -1 0 213.277 1.378 20 30 BDEDRM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000909148642 639162511 /nfs/dbraw/zinc/16/25/11/639162511.db2.gz KNKTXPSQTGAKKH-SECBINFHSA-N -1 0 227.304 1.768 20 30 BDEDRM C=CC(C)(C)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000909306625 639201473 /nfs/dbraw/zinc/20/14/73/639201473.db2.gz VZUPKRROGASALX-NSHDSACASA-N -1 0 229.251 1.224 20 30 BDEDRM C=CC(C)(C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000909801534 639224910 /nfs/dbraw/zinc/22/49/10/639224910.db2.gz AEBOUNIRBOWCBK-RKDXNWHRSA-N -1 0 225.288 1.520 20 30 BDEDRM C=CC(C)(C)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000909839926 639237016 /nfs/dbraw/zinc/23/70/16/639237016.db2.gz IHPGUNSTIXWXQN-CYBMUJFWSA-N -1 0 239.315 1.912 20 30 BDEDRM C=CCOCC(=O)N[C@H](C[C@H](C)CC)C(=O)[O-] ZINC000909861880 639255590 /nfs/dbraw/zinc/25/55/90/639255590.db2.gz IXBKGSLVTGMBTC-NXEZZACHSA-N -1 0 243.303 1.195 20 30 BDEDRM C#Cc1ccc(C(=O)NC2(CC(=O)[O-])CC2)cc1 ZINC000909898682 639263550 /nfs/dbraw/zinc/26/35/50/639263550.db2.gz JYVLIIPGYMIVRH-UHFFFAOYSA-N -1 0 243.262 1.405 20 30 BDEDRM C=CCCNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909943254 639285281 /nfs/dbraw/zinc/28/52/81/639285281.db2.gz NLPNQQSZYXKZGR-UHFFFAOYSA-N -1 0 237.299 1.714 20 30 BDEDRM C#CC[C@@H]1CCCN(C(=O)[C@@H](C)CC(=O)[O-])C1 ZINC000909943560 639285660 /nfs/dbraw/zinc/28/56/60/639285660.db2.gz QIVVHJZAILYNOK-WDEREUQCSA-N -1 0 237.299 1.359 20 30 BDEDRM C#CC[C@H](NC(=O)C[C@@H](C)C1CC1)C(=O)[O-] ZINC000910053220 639339549 /nfs/dbraw/zinc/33/95/49/639339549.db2.gz PCRTXOIEDIKRIW-SCZZXKLOSA-N -1 0 223.272 1.015 20 30 BDEDRM C#CC[C@H](NC(=O)C[C@@H](C)CC(C)C)C(=O)[O-] ZINC000910053787 639339935 /nfs/dbraw/zinc/33/99/35/639339935.db2.gz DJVLVTCUMRGLQZ-QWRGUYRKSA-N -1 0 239.315 1.651 20 30 BDEDRM C#CC[C@H](NC(=O)/C=C/C1CCCCC1)C(=O)[O-] ZINC000910055228 639340947 /nfs/dbraw/zinc/34/09/47/639340947.db2.gz ZYQQSTUFIQNTSO-VMPCVLLUSA-N -1 0 249.310 1.716 20 30 BDEDRM C#CC[C@@H](NC(=O)/C=C\C1CCCCC1)C(=O)[O-] ZINC000910055229 639341903 /nfs/dbraw/zinc/34/19/03/639341903.db2.gz ZYQQSTUFIQNTSO-ZWLSGLHFSA-N -1 0 249.310 1.716 20 30 BDEDRM C#CC[C@@H](NC(=O)[C@@H](C)Cc1ccco1)C(=O)[O-] ZINC000910046489 639349568 /nfs/dbraw/zinc/34/95/68/639349568.db2.gz QWZLSLCVGBEINM-GXSJLCMTSA-N -1 0 249.266 1.051 20 30 BDEDRM C#CC[C@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)[O-] ZINC000910048783 639350828 /nfs/dbraw/zinc/35/08/28/639350828.db2.gz OPKOWAAUWXLHJC-ONGXEEELSA-N -1 0 237.299 1.405 20 30 BDEDRM C#CC[C@@H](NC(=O)c1cc[nH]c1CCC)C(=O)[O-] ZINC000910050681 639355126 /nfs/dbraw/zinc/35/51/26/639355126.db2.gz NMTFERDCLUXFML-LLVKDONJSA-N -1 0 248.282 1.174 20 30 BDEDRM C=CC[C@@H]1CCN(C(=O)[C@H](CC)C(=O)[O-])C1 ZINC000910195065 639385511 /nfs/dbraw/zinc/38/55/11/639385511.db2.gz SCLGBEVOZQSROX-ZJUUUORDSA-N -1 0 225.288 1.522 20 30 BDEDRM C=C[C@H]1CCCCN1C(=O)[C@H](C)CC(=O)[O-] ZINC000910251821 639394558 /nfs/dbraw/zinc/39/45/58/639394558.db2.gz MYVLZQZUKTYETF-ZJUUUORDSA-N -1 0 225.288 1.664 20 30 BDEDRM C=C[C@H]1CCCCN1C(=O)[C@H](CC)C(=O)[O-] ZINC000910252785 639396416 /nfs/dbraw/zinc/39/64/16/639396416.db2.gz XCONAHNWYZEPDD-UWVGGRQHSA-N -1 0 225.288 1.664 20 30 BDEDRM C=CCCCNC(=O)[C@H](C(=O)[O-])C(C)C ZINC000910256154 639396899 /nfs/dbraw/zinc/39/68/99/639396899.db2.gz TYLLLBVZJAMWPB-SECBINFHSA-N -1 0 213.277 1.426 20 30 BDEDRM C=C(C)C[C@@H](NC(=O)c1cc[nH]c1)C(=O)[O-] ZINC000910287026 639405628 /nfs/dbraw/zinc/40/56/28/639405628.db2.gz MHAUVVAVMCZNAO-SECBINFHSA-N -1 0 222.244 1.164 20 30 BDEDRM C=C(C)C[C@@H](NC(=O)c1ccn(C)c1)C(=O)[O-] ZINC000910292247 639411184 /nfs/dbraw/zinc/41/11/84/639411184.db2.gz NSWGOENQQNABIF-SNVBAGLBSA-N -1 0 236.271 1.174 20 30 BDEDRM C#C[C@H](Nc1ccc(C(=O)[O-])cn1)[C@@H]1CCCO1 ZINC000910376417 639427602 /nfs/dbraw/zinc/42/76/02/639427602.db2.gz ZACKZNORCXOOQA-QWRGUYRKSA-N -1 0 246.266 1.373 20 30 BDEDRM N#Cc1ccc(N2CC3CC2(C(=O)[O-])C3)cn1 ZINC000910463076 639457754 /nfs/dbraw/zinc/45/77/54/639457754.db2.gz MPVLUDRKQITDRG-UHFFFAOYSA-N -1 0 229.239 1.007 20 30 BDEDRM C#CCCCC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000910860823 639515575 /nfs/dbraw/zinc/51/55/75/639515575.db2.gz JHCCAXODYCTWOV-GHMZBOCLSA-N -1 0 237.299 1.359 20 30 BDEDRM C=CCCC[C@H](NC(=O)c1ccoc1)C(=O)[O-] ZINC000910918701 639537625 /nfs/dbraw/zinc/53/76/25/639537625.db2.gz OCCZQKLCPIFREC-JTQLQIEISA-N -1 0 237.255 1.819 20 30 BDEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CC12CC2)C(=O)[O-] ZINC000910925983 639541857 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587221976 /nfs/dbraw/zinc/22/19/76/587221976.db2.gz OHAWAYXUXGIZLV-RKDXNWHRSA-N -1 0 227.260 1.234 20 30 BDEDRM C#C[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000823440968 587222231 /nfs/dbraw/zinc/22/22/31/587222231.db2.gz OHAWAYXUXGIZLV-DTWKUNHWSA-N -1 0 227.260 1.234 20 30 BDEDRM C#CCOC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000823463405 587224107 /nfs/dbraw/zinc/22/41/07/587224107.db2.gz OWGALRXGVAYCKI-UHFFFAOYSA-N -1 0 233.223 1.347 20 30 BDEDRM C=C(Cl)CNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000823480905 587224924 /nfs/dbraw/zinc/22/49/24/587224924.db2.gz RYCYAHTUMSCYQD-LURJTMIESA-N -1 0 234.683 1.101 20 30 BDEDRM C=C[C@@H](C)NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000823485665 587225403 /nfs/dbraw/zinc/22/54/03/587225403.db2.gz HWUIREWHFIXEEZ-RKDXNWHRSA-N -1 0 226.276 1.210 20 30 BDEDRM C=C(Cl)COC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000823485081 587225623 /nfs/dbraw/zinc/22/56/23/587225623.db2.gz AMUCXRYCRQANLJ-JGVFFNPUSA-N -1 0 247.678 1.718 20 30 BDEDRM C=C[C@H](C)NC(=O)[C@@H]1CCCCN1C(=O)[O-] 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/nfs/dbraw/zinc/94/09/55/979940955.db2.gz XKBOFTSRWZZASN-QMMMGPOBSA-N -1 0 230.227 1.207 20 30 BDEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CC(C)C2)o1 ZINC001606020375 979946536 /nfs/dbraw/zinc/94/65/36/979946536.db2.gz XTZFEOJFSPGPHV-UHFFFAOYSA-N -1 0 247.262 1.361 20 30 BDEDRM CN(CC(C)(C)C#N)c1ncncc1C(=O)[O-] ZINC001606088910 979950997 /nfs/dbraw/zinc/95/09/97/979950997.db2.gz RAKCUMRURAHFOY-UHFFFAOYSA-N -1 0 234.259 1.161 20 30 BDEDRM CN(c1ncc(C#N)cc1F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606186394 979969691 /nfs/dbraw/zinc/96/96/91/979969691.db2.gz BKEOWDAELGAAOR-DTORHVGOSA-N -1 0 249.245 1.392 20 30 BDEDRM O=C([O-])c1cccnc1NN=Cc1ccoc1 ZINC001606528454 980020769 /nfs/dbraw/zinc/02/07/69/980020769.db2.gz HVMPCZCSCATRLJ-UHFFFAOYSA-N -1 0 231.211 1.819 20 30 BDEDRM CC(C)CC(=O)C(=O)Nc1ccc(O)c(C#N)c1 ZINC001184330221 980031159 /nfs/dbraw/zinc/03/11/59/980031159.db2.gz LBXGCBCEQOSARX-UHFFFAOYSA-N -1 0 246.266 1.818 20 30 BDEDRM COCCON=C(C)c1ncc(C(=O)[O-])s1 ZINC001606906923 980060338 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/nfs/dbraw/zinc/21/69/72/980216972.db2.gz KYYFLCDFCCJRAD-SECBINFHSA-N -1 0 229.239 1.812 20 30 BDEDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C#CC1CC1 ZINC001608595894 980242130 /nfs/dbraw/zinc/24/21/30/980242130.db2.gz QAGRQBFWWZMNNP-GVXVVHGQSA-N -1 0 247.294 1.112 20 30 BDEDRM O=C([O-])CC1CC(=NNCC(F)F)C1 ZINC001608690428 980264725 /nfs/dbraw/zinc/26/47/25/980264725.db2.gz MGULZZCCRVUYRN-UHFFFAOYSA-N -1 0 206.192 1.082 20 30 BDEDRM CC1(C#N)CN(C(=O)c2cccc([S-])c2)C1 ZINC001186131142 980335930 /nfs/dbraw/zinc/33/59/30/980335930.db2.gz DGFUZUZBOODRGN-UHFFFAOYSA-N -1 0 232.308 1.961 20 30 BDEDRM C=C(C)CCC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001345123681 980555070 /nfs/dbraw/zinc/55/50/70/980555070.db2.gz WVLSHQDGJWQYKU-LLVKDONJSA-N -1 0 239.315 1.960 20 30 BDEDRM C=CC[C@@H](NC(=O)CCC1(C)CC1)C(=O)[O-] ZINC001345372078 980604806 /nfs/dbraw/zinc/60/48/06/980604806.db2.gz ZMGSPCPVNFZMEZ-SECBINFHSA-N -1 0 225.288 1.712 20 30 BDEDRM C=CC[C@@H](C)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001345754746 980680751 /nfs/dbraw/zinc/68/07/51/980680751.db2.gz HVEDDLQCENBAFJ-HLTSFMKQSA-N -1 0 211.261 1.178 20 30 BDEDRM C=C(C)CN(C)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001345779129 980681978 /nfs/dbraw/zinc/68/19/78/980681978.db2.gz DHQLVGFOSRTFPL-DTORHVGOSA-N -1 0 211.261 1.132 20 30 BDEDRM C[C@@H](O)c1ccccc1[N-]S(=O)(=O)CC#N ZINC000083920068 980833389 /nfs/dbraw/zinc/83/33/89/980833389.db2.gz CPSFVLCHZRJPMN-MRVPVSSYSA-N -1 0 240.284 1.005 20 30 BDEDRM C=CCC1(S(=O)(=O)[N-]c2cnns2)CC1 ZINC001190772715 980924779 /nfs/dbraw/zinc/92/47/79/980924779.db2.gz JMFPWNNHSAHQPG-UHFFFAOYSA-N -1 0 245.329 1.389 20 30 BDEDRM N#Cc1sccc1[N-]C(=O)c1ncon1 ZINC001192015641 981118524 /nfs/dbraw/zinc/11/85/24/981118524.db2.gz ZOOPAZIABHWHCW-UHFFFAOYSA-N -1 0 220.213 1.255 20 30 BDEDRM CCC(C)=CC(=O)C(C#N)=C([O-])c1nccn1C ZINC001347588185 981122568 /nfs/dbraw/zinc/12/25/68/981122568.db2.gz WLDDZSJBXNAQKK-TTZKWOQHSA-N -1 0 245.282 1.668 20 30 BDEDRM N#CCS(=O)(=O)[N-]c1cccs1 ZINC001192934701 981213366 /nfs/dbraw/zinc/21/33/66/981213366.db2.gz COLVALPSRNMDOB-UHFFFAOYSA-N -1 0 202.260 1.013 20 30 BDEDRM N#CCS(=O)(=O)[N-]c1ccc2ocnc2c1 ZINC001192972256 981220655 /nfs/dbraw/zinc/22/06/55/981220655.db2.gz QHLQBOSQFFGAPT-UHFFFAOYSA-N -1 0 237.240 1.093 20 30 BDEDRM Cc1ncc([N-]S(=O)(=O)[C@@H](C)C#N)s1 ZINC001193106925 981242180 /nfs/dbraw/zinc/24/21/80/981242180.db2.gz LKKKZCZAPPBSDP-YFKPBYRVSA-N -1 0 231.302 1.105 20 30 BDEDRM CC/C=C\CCn1cc(C(=O)[O-])cc(C#N)c1=O ZINC001595520088 981334742 /nfs/dbraw/zinc/33/47/42/981334742.db2.gz BFXVUAQSPCTOPP-ARJAWSKDSA-N -1 0 246.266 1.774 20 30 BDEDRM C#Cc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1F ZINC001193473509 981341065 /nfs/dbraw/zinc/34/10/65/981341065.db2.gz OJHJBYZNIGIJGL-UHFFFAOYSA-N -1 0 245.213 1.488 20 30 BDEDRM CC/C=C/NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193515722 981368343 /nfs/dbraw/zinc/36/83/43/981368343.db2.gz QXCMCOAATALFGZ-ZZXKWVIFSA-N -1 0 216.240 1.917 20 30 BDEDRM N#Cc1cccc(C(=O)NCC(F)F)c1[O-] ZINC001193635158 981389279 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/nfs/dbraw/zinc/63/25/63/981632563.db2.gz CITZFMLLNPOZJP-ZJUUUORDSA-N -1 0 239.315 1.910 20 30 BDEDRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C#N)CC(C)C ZINC001594747044 981636459 /nfs/dbraw/zinc/63/64/59/981636459.db2.gz FRCJXGNCIUVZOV-RKDXNWHRSA-N -1 0 226.276 1.152 20 30 BDEDRM CCn1ccnc1C(C#N)=C([O-])c1ocnc1C ZINC001349701831 981657063 /nfs/dbraw/zinc/65/70/63/981657063.db2.gz JVPMYFSXSWOBCC-VIFPVBQESA-N -1 0 244.254 1.690 20 30 BDEDRM C=CCOC(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001194289586 981696712 /nfs/dbraw/zinc/69/67/12/981696712.db2.gz HKODDWXPONXMJI-UHFFFAOYSA-N -1 0 229.623 1.570 20 30 BDEDRM C#CCCCCC(=O)Nc1n[nH]cc1C(=O)[O-] ZINC001588390936 981760314 /nfs/dbraw/zinc/76/03/14/981760314.db2.gz UYZMCNQRBWQPTK-UHFFFAOYSA-N -1 0 235.243 1.240 20 30 BDEDRM CCCCC(=O)N(CC#N)CCC(=O)[O-] ZINC001595626606 981762321 /nfs/dbraw/zinc/76/23/21/981762321.db2.gz WYJKMANBEHEFQY-UHFFFAOYSA-N -1 0 212.249 1.003 20 30 BDEDRM C#CC[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)C1 ZINC001588391195 981763007 /nfs/dbraw/zinc/76/30/07/981763007.db2.gz CKBOWPWWGYFZDI-YGRLFVJLSA-N -1 0 249.310 1.359 20 30 BDEDRM C=CC[C@H](C)OC(=O)CCCC(=O)[O-] ZINC001588453151 981772148 /nfs/dbraw/zinc/77/21/48/981772148.db2.gz PUNZTMNPZCBDDT-QMMMGPOBSA-N -1 0 200.234 1.749 20 30 BDEDRM C=C(C)CCc1noc([C@@H](C)C(=O)[O-])n1 ZINC001588442151 981774080 /nfs/dbraw/zinc/77/40/80/981774080.db2.gz POIKXZNMVMSICY-SSDOTTSWSA-N -1 0 210.233 1.766 20 30 BDEDRM C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001588451410 981775384 /nfs/dbraw/zinc/77/53/84/981775384.db2.gz VWOCEOLEMCMAMN-LLVKDONJSA-N -1 0 237.259 1.649 20 30 BDEDRM C=C(C)[C@H](C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001588443349 981775829 /nfs/dbraw/zinc/77/58/29/981775829.db2.gz ZGCMNZOGIPQYIL-QMMMGPOBSA-N -1 0 235.239 1.901 20 30 BDEDRM C=CCO[N-]C(=O)C(C)(C)C(F)(F)F ZINC001349920280 981816556 /nfs/dbraw/zinc/81/65/56/981816556.db2.gz SXQINOQFHNMDTL-UHFFFAOYSA-N -1 0 211.183 1.809 20 30 BDEDRM C=CCCN(C)c1ccc(-c2nn[nH]n2)c(C)n1 ZINC001588603600 981861200 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C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCSC1 ZINC001588623225 983727010 /nfs/dbraw/zinc/72/70/10/983727010.db2.gz MJNGPGLRZRJPTH-VIFPVBQESA-N -1 0 243.328 1.419 20 30 BDEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccccc1 ZINC001588629897 983739841 /nfs/dbraw/zinc/73/98/41/983739841.db2.gz MFZXKEFEBGSNTC-UHFFFAOYSA-N -1 0 233.267 1.724 20 30 BDEDRM C=C(CCC(=O)[O-])C(=O)Nc1n[nH]c(C)c1C ZINC001588630551 983744851 /nfs/dbraw/zinc/74/48/51/983744851.db2.gz QTOXJJOEUHZPFZ-UHFFFAOYSA-N -1 0 237.259 1.386 20 30 BDEDRM C=C(Cl)CSc1nc(C(=O)[O-])c[nH]1 ZINC001588643646 983766919 /nfs/dbraw/zinc/76/69/19/983766919.db2.gz PWQLDSQEYDHGOE-UHFFFAOYSA-N -1 0 218.665 1.953 20 30 BDEDRM C=C1CC(C)(C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1 ZINC001588644284 983769052 /nfs/dbraw/zinc/76/90/52/983769052.db2.gz NBPWZSIPYUKHGA-UHFFFAOYSA-N -1 0 249.270 1.413 20 30 BDEDRM C=C[C@H](C(=O)[O-])N(C)Cc1nccn1C(F)F ZINC001588664501 983800698 /nfs/dbraw/zinc/80/06/98/983800698.db2.gz QRUAKIHURKQQHF-SSDOTTSWSA-N -1 0 245.229 1.349 20 30 BDEDRM 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/nfs/dbraw/zinc/18/39/86/642183986.db2.gz PQRUWAXFWCJIBX-GFCCVEGCSA-N -1 0 248.282 1.639 20 30 BDEDRM Cc1[n-][nH]c(=O)c1Sc1ccc(C)cc1C#N ZINC000918656957 642245631 /nfs/dbraw/zinc/24/56/31/642245631.db2.gz BXJRMTGLFARFSN-NSHDSACASA-N -1 0 245.307 1.833 20 30 BDEDRM Cc1occc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130704289 642448462 /nfs/dbraw/zinc/44/84/62/642448462.db2.gz QEXORHROLCTCQP-SNVBAGLBSA-N -1 0 234.255 1.435 20 30 BDEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccccc1 ZINC000254303146 642707485 /nfs/dbraw/zinc/70/74/85/642707485.db2.gz GDHSILRQLDZEFD-UHFFFAOYSA-N -1 0 243.270 1.722 20 30 BDEDRM Cc1ccsc1C=NNc1nnc(C)c(=O)[n-]1 ZINC000254760073 642739966 /nfs/dbraw/zinc/73/99/66/642739966.db2.gz UFWNZUOXPDKLFX-UHFFFAOYSA-N -1 0 249.299 1.702 20 30 BDEDRM C=CCCCC(=O)[N-]S(=O)(=O)CCCC#N ZINC000181273072 642857887 /nfs/dbraw/zinc/85/78/87/642857887.db2.gz XHWGXVORCZDQKL-UHFFFAOYSA-N -1 0 244.316 1.092 20 30 BDEDRM C=CCCCC(=O)[N-]S(=O)(=O)[C@H](C)CC ZINC000181925331 642926137 /nfs/dbraw/zinc/92/61/37/642926137.db2.gz GZHVHIDQGWUQMN-SECBINFHSA-N -1 0 233.333 1.587 20 30 BDEDRM CCCCCCCC(=O)[N-]S(C)(=O)=O ZINC000120099200 643082981 /nfs/dbraw/zinc/08/29/81/643082981.db2.gz QKWRPXCJFNHLSR-UHFFFAOYSA-N -1 0 221.322 1.423 20 30 BDEDRM C=CCCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000073090922 643377378 /nfs/dbraw/zinc/37/73/78/643377378.db2.gz RGJGKAXPAOENNV-UHFFFAOYSA-N -1 0 232.305 1.250 20 30 BDEDRM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000084686926 643665747 /nfs/dbraw/zinc/66/57/47/643665747.db2.gz WGBZBDVVWOWUEV-SFYZADRCSA-N -1 0 233.333 1.975 20 30 BDEDRM CC#CC/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000255320902 643857893 /nfs/dbraw/zinc/85/78/93/643857893.db2.gz URXMKSZZQQFPTL-WQLSENKSSA-N -1 0 218.212 1.743 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)NC1CCCC1 ZINC000086138556 643921198 /nfs/dbraw/zinc/92/11/98/643921198.db2.gz AKTOKEDOFRBRHP-UHFFFAOYSA-N -1 0 226.276 1.211 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)NCCC1CC1 ZINC000086138939 643924718 /nfs/dbraw/zinc/92/47/18/643924718.db2.gz OVAMVLUIBKFWCO-UHFFFAOYSA-N -1 0 226.276 1.069 20 30 BDEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C1CCCC1 ZINC000073839357 644136453 /nfs/dbraw/zinc/13/64/53/644136453.db2.gz RWJJZGVMIATECZ-MRVPVSSYSA-N -1 0 249.332 1.498 20 30 BDEDRM N#C[C@@]1(C(=O)NCCC(=O)[O-])CC12CCCC2 ZINC000923044245 644248754 /nfs/dbraw/zinc/24/87/54/644248754.db2.gz KUNYULMQIPTLOE-GFCCVEGCSA-N -1 0 236.271 1.051 20 30 BDEDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(C#N)CCC1 ZINC000923079678 644262220 /nfs/dbraw/zinc/26/22/20/644262220.db2.gz FEIJINHQGSOTTN-DTWKUNHWSA-N -1 0 236.271 1.002 20 30 BDEDRM CC(C)(C#N)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000923095990 644266438 /nfs/dbraw/zinc/26/64/38/644266438.db2.gz YCHJWNCQMLCWQJ-VIFPVBQESA-N -1 0 238.287 1.153 20 30 BDEDRM CC[C@H](C)C[C@H](NC(=O)C(C)(C)C#N)C(=O)[O-] ZINC000923104951 644268047 /nfs/dbraw/zinc/26/80/47/644268047.db2.gz UUPYRNJZRBYUHG-IUCAKERBSA-N -1 0 240.303 1.542 20 30 BDEDRM CC(C)(CNC(=O)C1(C#N)CCC1)CC(=O)[O-] ZINC000923105002 644268460 /nfs/dbraw/zinc/26/84/60/644268460.db2.gz VNUVNTCVXXZJHY-UHFFFAOYSA-N -1 0 238.287 1.297 20 30 BDEDRM Cc1c(C(=O)[N-]S(C)(=O)=O)cnn1C(C)C ZINC000092693251 644664957 /nfs/dbraw/zinc/66/49/57/644664957.db2.gz RZIAPOAOTWFYKH-UHFFFAOYSA-N -1 0 245.304 1.037 20 30 BDEDRM C=CCCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000304213427 644876881 /nfs/dbraw/zinc/87/68/81/644876881.db2.gz FQNYITSKOUOSHG-LBPRGKRZSA-N -1 0 240.303 1.601 20 30 BDEDRM N#Cc1cncnc1N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000304495723 644911062 /nfs/dbraw/zinc/91/10/62/644911062.db2.gz SIZBHFNQCGARHQ-BDAKNGLRSA-N -1 0 232.243 1.013 20 30 BDEDRM C#CC[C@@H](NC(=O)C(C1CC1)C1CC1)C(=O)[O-] ZINC000304539631 644914657 /nfs/dbraw/zinc/91/46/57/644914657.db2.gz VSTYCLXOZGSQJA-SNVBAGLBSA-N -1 0 235.283 1.015 20 30 BDEDRM CC[C@@H](NN=Cc1ccncc1C)C(=O)[O-] ZINC000834981586 645155163 /nfs/dbraw/zinc/15/51/63/645155163.db2.gz SUGUREDFMRRBFL-SNVBAGLBSA-N -1 0 221.260 1.177 20 30 BDEDRM COCC(N=Nc1ccc(C(=O)[O-])nc1)C1CC1 ZINC000835007245 645160862 /nfs/dbraw/zinc/16/08/62/645160862.db2.gz RNNRXUDOYAMZLJ-UHFFFAOYSA-N -1 0 249.270 1.604 20 30 BDEDRM C[C@H]1C[C@H]1CN=Nc1ccc(C(=O)[O-])nc1 ZINC000835007022 645160944 /nfs/dbraw/zinc/16/09/44/645160944.db2.gz ORJOZHATALTTSC-YUMQZZPRSA-N -1 0 219.244 1.834 20 30 BDEDRM O=C([O-])c1ccc(N=NC[C@@H]2CCOC2)cn1 ZINC000835006543 645160970 /nfs/dbraw/zinc/16/09/70/645160970.db2.gz GPFWVJASCVBAPN-QMMMGPOBSA-N -1 0 235.243 1.214 20 30 BDEDRM C=C[C@H](C)ONC(=O)Nc1nc(C)c(C)o1 ZINC000844514160 645335780 /nfs/dbraw/zinc/33/57/80/645335780.db2.gz ZEPUKDWEDHBWRE-LURJTMIESA-N -1 0 225.248 1.919 20 30 BDEDRM CNC(=O)C(C#N)=C([O-])c1cc[nH]c1C1CCC1 ZINC000845445532 645362192 /nfs/dbraw/zinc/36/21/92/645362192.db2.gz PSSPYBLZIUBRDR-SNVBAGLBSA-N -1 0 245.282 1.351 20 30 BDEDRM C=CCO[N-]C(=O)C1(OC)CCC(F)(F)CC1 ZINC000854852527 645512941 /nfs/dbraw/zinc/51/29/41/645512941.db2.gz PKXOJVNOTDQMOF-UHFFFAOYSA-N -1 0 249.257 1.815 20 30 BDEDRM CCC(F)(F)C(=O)[N-][C@@H](CC#N)C(F)(F)F ZINC000928800226 645859396 /nfs/dbraw/zinc/85/93/96/645859396.db2.gz JUBCGKJAZCTPCI-YFKPBYRVSA-N -1 0 244.163 1.992 20 30 BDEDRM C=C[C@H](CCC(=O)[O-])NC(=O)OC(C)C ZINC000926482421 646655852 /nfs/dbraw/zinc/65/58/52/646655852.db2.gz YOLBFLMNNGEKBY-MRVPVSSYSA-N -1 0 215.249 1.540 20 30 BDEDRM C=CCN(CC(=O)[O-])CC(F)(F)C(F)F ZINC000308898608 711574146 /nfs/dbraw/zinc/57/41/46/711574146.db2.gz TYFRTXWHGQSQQK-UHFFFAOYSA-N -1 0 229.173 1.459 20 30 BDEDRM C=CCC(C)(C)C(=O)NCC1(C(=O)[O-])CC1 ZINC000909642777 711786796 /nfs/dbraw/zinc/78/67/96/711786796.db2.gz WYXBHWVSVHHELB-UHFFFAOYSA-N -1 0 225.288 1.570 20 30 BDEDRM C=C(C)CCNC(=O)c1cc(C(=O)[O-])co1 ZINC000386790347 711917047 /nfs/dbraw/zinc/91/70/47/711917047.db2.gz OFAOVHAIMGYZBC-UHFFFAOYSA-N -1 0 223.228 1.674 20 30 BDEDRM CCCCCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000703726273 712086100 /nfs/dbraw/zinc/08/61/00/712086100.db2.gz PWCDWLURQPYYFE-ZJUUUORDSA-N -1 0 227.304 1.794 20 30 BDEDRM Cc1cc(Cl)cc(C=NNCC(=O)[O-])c1 ZINC000378664435 712356327 /nfs/dbraw/zinc/35/63/27/712356327.db2.gz FDBQGZADCRASDA-UHFFFAOYSA-N -1 0 226.663 1.657 20 30 BDEDRM CC[C@H](NN=C[C@](C)(OC)C1CC1)C(=O)[O-] ZINC000378730248 712359698 /nfs/dbraw/zinc/35/96/98/712359698.db2.gz CVRIKDGXTJWNIV-ONGXEEELSA-N -1 0 228.292 1.240 20 30 BDEDRM O=C([O-])CNN=Cc1occc1Br ZINC000378804391 712362049 /nfs/dbraw/zinc/36/20/49/712362049.db2.gz WXYVWUCLJZATCD-UHFFFAOYSA-N -1 0 247.048 1.050 20 30 BDEDRM CCOc1cccc(C=NNCC(=O)[O-])c1 ZINC000378872944 712365433 /nfs/dbraw/zinc/36/54/33/712365433.db2.gz SJVGMWNIUVMHPB-UHFFFAOYSA-N -1 0 222.244 1.093 20 30 BDEDRM C#CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000714393955 712487632 /nfs/dbraw/zinc/48/76/32/712487632.db2.gz JJXNFOCVMBEOAB-DCAQKATOSA-N -1 0 237.299 1.405 20 30 BDEDRM CCc1ccc(C(C)=NNCC(=O)[O-])o1 ZINC000382150455 710800848 /nfs/dbraw/zinc/80/08/48/710800848.db2.gz PKRGYFPZLWKTNY-UHFFFAOYSA-N -1 0 210.233 1.240 20 30 BDEDRM CCC[C@@H](C)C(CC)=NNCC(=O)[O-] ZINC000382158556 710801523 /nfs/dbraw/zinc/80/15/23/710801523.db2.gz SBBLGLVDQPUFRT-MRVPVSSYSA-N -1 0 200.282 1.863 20 30 BDEDRM C#C[C@@](C)(CC)NC(=O)CCCC(=O)[O-] ZINC000384195435 710992068 /nfs/dbraw/zinc/99/20/68/710992068.db2.gz JBTAOEOTSBSDJL-NSHDSACASA-N -1 0 211.261 1.159 20 30 BDEDRM CC[C@@H](NN=C(C)[C@@]1(C)CCCO1)C(=O)[O-] ZINC000390266936 711111734 /nfs/dbraw/zinc/11/17/34/711111734.db2.gz QHELECIHSUNCSZ-MWLCHTKSSA-N -1 0 228.292 1.384 20 30 BDEDRM COCCON=C1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000393427069 711158932 /nfs/dbraw/zinc/15/89/32/711158932.db2.gz DCBGWXHNQWMHJC-IUCAKERBSA-N -1 0 229.276 1.526 20 30 BDEDRM CC(=NNCC(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000393464453 711160042 /nfs/dbraw/zinc/16/00/42/711160042.db2.gz BWPVNCNAEHPQBH-UHFFFAOYSA-N -1 0 244.653 1.877 20 30 BDEDRM CC[C@H](NN=C(C)c1cc(C)on1)C(=O)[O-] ZINC000393789488 711175076 /nfs/dbraw/zinc/17/50/76/711175076.db2.gz XTFZRMUKAZOKKM-QMMMGPOBSA-N -1 0 225.248 1.160 20 30 BDEDRM CCC(=NN[C@H](CC)C(=O)[O-])[C@@H]1CCOC1 ZINC000381147212 710604410 /nfs/dbraw/zinc/60/44/10/710604410.db2.gz OCRYZKREIONUCY-PSASIEDQSA-N -1 0 228.292 1.242 20 30 BDEDRM C#CCON=C1CC[C@@H](C(=O)[O-])C[C@@H]1C ZINC000393218850 711156212 /nfs/dbraw/zinc/15/62/12/711156212.db2.gz SEEGGTCEGSQPOE-DTWKUNHWSA-N -1 0 209.245 1.513 20 30 BDEDRM C#CC[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000383219670 711476690 /nfs/dbraw/zinc/47/66/90/711476690.db2.gz RIGYHRSMGFNOFU-AXFHLTTASA-N -1 0 237.299 1.405 20 30 BDEDRM C=C1CCC(CNC(=O)CCC(=O)[O-])CC1 ZINC000724450864 711580950 /nfs/dbraw/zinc/58/09/50/711580950.db2.gz BWHKTXSMQMZTPC-UHFFFAOYSA-N -1 0 225.288 1.714 20 30 BDEDRM CC[C@H](CNc1nccc(C)c1C#N)C(=O)[O-] ZINC000135049940 711585977 /nfs/dbraw/zinc/58/59/77/711585977.db2.gz FHSXHTGZHXKQSC-SECBINFHSA-N -1 0 233.271 1.784 20 30 BDEDRM C=CCC(C)(C)C(=O)N[C@H](CCOC)C(=O)[O-] ZINC000909623004 711786568 /nfs/dbraw/zinc/78/65/68/711786568.db2.gz AIAXUKILTZCULN-SECBINFHSA-N -1 0 243.303 1.195 20 30 BDEDRM C#CCCCCC(=O)N(CCC)[C@H](C)C(=O)[O-] ZINC000911716795 711819663 /nfs/dbraw/zinc/81/96/63/711819663.db2.gz KOALEUPRKDIGTM-LLVKDONJSA-N -1 0 239.315 1.892 20 30 BDEDRM Cc1cc(C#N)cc(NCCCC(=O)[O-])n1 ZINC000157557503 711828600 /nfs/dbraw/zinc/82/86/00/711828600.db2.gz GKTVFVPENGLNQV-UHFFFAOYSA-N -1 0 219.244 1.538 20 30 BDEDRM C=CCNN=C(C)c1csc(C(=O)[O-])c1 ZINC000382423511 711930935 /nfs/dbraw/zinc/93/09/35/711930935.db2.gz XJSAHTDVSYZMNH-UHFFFAOYSA-N -1 0 224.285 1.946 20 30 BDEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1 ZINC000133195990 711957175 /nfs/dbraw/zinc/95/71/75/711957175.db2.gz BZJLUODNDBGOKP-NSHDSACASA-N -1 0 230.267 1.372 20 30 BDEDRM CCOc1ccc(C([O-])=C(C#N)C(=O)NC)cc1 ZINC000133197209 711981002 /nfs/dbraw/zinc/98/10/02/711981002.db2.gz DLHORZJHDXPOOF-NSHDSACASA-N -1 0 246.266 1.154 20 30 BDEDRM C#CCO[N-]C(=O)COc1ccc2c(c1)CCC2 ZINC000700590040 711999162 /nfs/dbraw/zinc/99/91/62/711999162.db2.gz ROLZNLHOFKZXAJ-UHFFFAOYSA-N -1 0 245.278 1.235 20 30 BDEDRM C#CCCCCC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000703188866 712067904 /nfs/dbraw/zinc/06/79/04/712067904.db2.gz CSRUIPFQBCDCTK-MGCOHNPYSA-N -1 0 223.272 1.159 20 30 BDEDRM C#CCCCS(=O)(=O)[N-]c1ncc(C)s1 ZINC000710069598 712244317 /nfs/dbraw/zinc/24/43/17/712244317.db2.gz IQDBIBZORSFQNY-UHFFFAOYSA-N -1 0 244.341 1.607 20 30 BDEDRM CC[C@@H](C#N)C(=O)[N-]OCCCC(F)(F)F ZINC000710142114 712245322 /nfs/dbraw/zinc/24/53/22/712245322.db2.gz VNKOJBLXGJZBTR-ZETCQYMHSA-N -1 0 238.209 1.926 20 30 BDEDRM COCCN(C)N=C1CCC(C(=O)[O-])CC1 ZINC000378665636 712356460 /nfs/dbraw/zinc/35/64/60/712356460.db2.gz ANVPICNLSNZTNP-UHFFFAOYSA-N -1 0 228.292 1.195 20 30 BDEDRM C#CCON=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000378683176 712357357 /nfs/dbraw/zinc/35/73/57/712357357.db2.gz YUQZKDJQPYEGJD-DTWKUNHWSA-N -1 0 209.245 1.513 20 30 BDEDRM C#CCON=C1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000378683175 712357358 /nfs/dbraw/zinc/35/73/58/712357358.db2.gz YUQZKDJQPYEGJD-BDAKNGLRSA-N -1 0 209.245 1.513 20 30 BDEDRM CC[C@@H](NN=C1CCC[C@@H](C#N)C1)C(=O)[O-] ZINC000378739630 712359547 /nfs/dbraw/zinc/35/95/47/712359547.db2.gz IHKWIBCWHJGHMA-PSASIEDQSA-N -1 0 223.276 1.509 20 30 BDEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C)cs1 ZINC000379051417 712368705 /nfs/dbraw/zinc/36/87/05/712368705.db2.gz LPXUNBBGQKMLGV-UHFFFAOYSA-N -1 0 239.296 1.769 20 30 BDEDRM C#CC[C@H](NC(=O)c1cc(C)cs1)C(=O)[O-] ZINC000379088161 712369428 /nfs/dbraw/zinc/36/94/28/712369428.db2.gz ZWKZTCLCNUSRJU-QMMMGPOBSA-N -1 0 237.280 1.263 20 30 BDEDRM C=CCN(CC(=O)[O-])C[C@H]1CCCC(C)(C)O1 ZINC000714339332 712482861 /nfs/dbraw/zinc/48/28/61/712482861.db2.gz NVJBOBLTVJXMEW-LLVKDONJSA-N -1 0 241.331 1.907 20 30 BDEDRM C#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000714393954 712487625 /nfs/dbraw/zinc/48/76/25/712487625.db2.gz JJXNFOCVMBEOAB-AXFHLTTASA-N -1 0 237.299 1.405 20 30 BDEDRM C#CC[C@H](COC)NC(=O)c1ccc(C)cc1O ZINC000716823303 712576941 /nfs/dbraw/zinc/57/69/41/712576941.db2.gz YJMOBWBLPSAFNP-LLVKDONJSA-N -1 0 247.294 1.469 20 30 BDEDRM C#CCO[N-]C(=O)[C@H](CC)OC1CCCC1 ZINC000812782353 712586193 /nfs/dbraw/zinc/58/61/93/712586193.db2.gz WSXRNHAZJYFOJJ-NSHDSACASA-N -1 0 225.288 1.405 20 30 BDEDRM N#Cc1cccc(OCC(=O)[N-]OC2CCC2)c1 ZINC000812787708 712586588 /nfs/dbraw/zinc/58/65/88/712586588.db2.gz FKQRMLVRSXZSBU-UHFFFAOYSA-N -1 0 246.266 1.537 20 30 BDEDRM C=CCCCCCCN=c1nn[n-]n1C ZINC000379837904 712616555 /nfs/dbraw/zinc/61/65/55/712616555.db2.gz CEVHWHRTLXALRR-UHFFFAOYSA-N -1 0 209.297 1.180 20 30 BDEDRM Cc1cc(=O)[n-]c(N=NCCC(C)C)n1 ZINC000863950785 712620063 /nfs/dbraw/zinc/62/00/63/712620063.db2.gz NNBFLFBWIPOQSY-UHFFFAOYSA-N -1 0 208.265 1.934 20 30 BDEDRM CC[C@H](NN=C(C)c1ccsc1)C(=O)[O-] ZINC000380134751 712692377 /nfs/dbraw/zinc/69/23/77/712692377.db2.gz UIMFOUAYLDVUMT-VIFPVBQESA-N -1 0 226.301 1.925 20 30 BDEDRM CC[C@H](NN=C[C@H]1CC=CCC1)C(=O)[O-] ZINC000380347164 712891403 /nfs/dbraw/zinc/89/14/03/712891403.db2.gz UHFHRWZACYKZIW-UWVGGRQHSA-N -1 0 210.277 1.781 20 30 BDEDRM CC(CCCCCCC(=O)[O-])=NNCCO ZINC000382373776 958248820 /nfs/dbraw/zinc/24/88/20/958248820.db2.gz HGANTTAQYGSJKP-UHFFFAOYSA-N -1 0 230.308 1.369 20 30 BDEDRM C=C(CC)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001588444521 958361563 /nfs/dbraw/zinc/36/15/63/958361563.db2.gz GXIYGPGDAZFJRF-NXEZZACHSA-N -1 0 225.288 1.664 20 30 BDEDRM C#C[C@H](NC(=O)C[C@H](C)CC(=O)[O-])C(C)C ZINC000300912577 963042225 /nfs/dbraw/zinc/04/22/25/963042225.db2.gz MALDXGSXWBGJLP-UWVGGRQHSA-N -1 0 225.288 1.261 20 30 BDEDRM C=CCCN(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000304237549 963131519 /nfs/dbraw/zinc/13/15/19/963131519.db2.gz MUZHSSVVFMODHU-MNOVXSKESA-N -1 0 239.315 1.912 20 30 BDEDRM CC#CCCNc1ncc(C(=O)[O-])cn1 ZINC000307209505 963211675 /nfs/dbraw/zinc/21/16/75/963211675.db2.gz KGJHXPZDOGSDTM-UHFFFAOYSA-N -1 0 205.217 1.000 20 30 BDEDRM C=C(C)CNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000308979245 963319501 /nfs/dbraw/zinc/31/95/01/963319501.db2.gz JPKWNUJKIRKFCD-UHFFFAOYSA-N -1 0 208.217 1.019 20 30 BDEDRM C=CC[C@@H](C)NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000309389621 963345087 /nfs/dbraw/zinc/34/50/87/963345087.db2.gz SSTKBTGYRVVZAH-SSDOTTSWSA-N -1 0 222.244 1.407 20 30 BDEDRM C#CCCCCNc1ncc(C(=O)[O-])cn1 ZINC000309446478 963350354 /nfs/dbraw/zinc/35/03/54/963350354.db2.gz PQIINTHCUWHKSM-UHFFFAOYSA-N -1 0 219.244 1.390 20 30 BDEDRM N#CCCCc1cnc(F)c(C(=O)[O-])c1 ZINC001250060364 967324531 /nfs/dbraw/zinc/32/45/31/967324531.db2.gz NODQTIKALYNGLA-UHFFFAOYSA-N -1 0 208.192 1.765 20 30 BDEDRM Cc1cc(S[C@H](C)C(=O)[O-])c(C#N)cn1 ZINC000307235386 967924021 /nfs/dbraw/zinc/92/40/21/967924021.db2.gz DLDKHAVBLDZQCS-SSDOTTSWSA-N -1 0 222.269 1.827 20 30 BDEDRM CC[C@@](C)(C#N)[N-]S(=O)(=O)C(F)(F)F ZINC001252386694 968655176 /nfs/dbraw/zinc/65/51/76/968655176.db2.gz ZTFIQYUHARJNQQ-YFKPBYRVSA-N -1 0 230.211 1.118 20 30 BDEDRM C=CCOC[C@H](O)CNc1ccc([S-])cc1 ZINC001252476178 968736481 /nfs/dbraw/zinc/73/64/81/968736481.db2.gz PXCLUSKHOGKMES-LLVKDONJSA-N -1 0 239.340 1.951 20 30 BDEDRM CC(C)S(=O)(=O)[N-]c1c(O)cccc1C#N ZINC001252530718 968768377 /nfs/dbraw/zinc/76/83/77/968768377.db2.gz XZFUQUZVTJCWOU-UHFFFAOYSA-N -1 0 240.284 1.414 20 30 BDEDRM CCCS(=O)(=O)[N-]c1cccnc1C#N ZINC001253618276 969314531 /nfs/dbraw/zinc/31/45/31/969314531.db2.gz HFCHNKKPOCXMAO-UHFFFAOYSA-N -1 0 225.273 1.105 20 30 BDEDRM CCCS(=O)(=O)[N-]c1occ(C)c1C#N ZINC001253634471 969318669 /nfs/dbraw/zinc/31/86/69/969318669.db2.gz PZYCSALAZPUEAS-UHFFFAOYSA-N -1 0 228.273 1.611 20 30 BDEDRM C#C[C@@H](CC(C)C)Oc1[n-]c(=S)nnc1C ZINC001227599928 975576653 /nfs/dbraw/zinc/57/66/53/975576653.db2.gz BGPRYQOXGYKWMX-VIFPVBQESA-N -1 0 237.328 1.895 20 30 BDEDRM C#CC[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229380853 976851704 /nfs/dbraw/zinc/85/17/04/976851704.db2.gz LXGQUJDFHZAWTB-ZCFIWIBFSA-N -1 0 237.215 1.189 20 30 BDEDRM Cc1c(C#N)cccc1NC(=O)[C@@H](C)C(=O)[O-] ZINC001594253095 977584266 /nfs/dbraw/zinc/58/42/66/977584266.db2.gz PFMNVPSUILCWCN-MRVPVSSYSA-N -1 0 232.239 1.526 20 30 BDEDRM N#CCCCCC(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001594609061 977741122 /nfs/dbraw/zinc/74/11/22/977741122.db2.gz LOURJSBIPOMMDI-UHFFFAOYSA-N -1 0 236.231 1.130 20 30 BDEDRM N#CC1(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001594604455 977734395 /nfs/dbraw/zinc/73/43/95/977734395.db2.gz WCEMJFBJTCMZCV-UHFFFAOYSA-N -1 0 236.271 1.003 20 30 BDEDRM C=C(C)CO[N-]C(=O)[C@@]1(C)CC(C)=NO1 ZINC001337283729 978259402 /nfs/dbraw/zinc/25/94/02/978259402.db2.gz PMGWHOHXVSHZMJ-SNVBAGLBSA-N -1 0 212.249 1.165 20 30 BDEDRM C=C[C@H](C)Oc1n[n-]c(=O)cc1Cl ZINC001233587065 978635280 /nfs/dbraw/zinc/63/52/80/978635280.db2.gz MBIHRXLGJWMEQH-YFKPBYRVSA-N -1 0 200.625 1.789 20 30 BDEDRM Cc1cc(C(=O)[O-])nc(NC[C@@H](C)C#N)n1 ZINC001600128223 978668988 /nfs/dbraw/zinc/66/89/88/978668988.db2.gz XTBZDAZPSDVUOI-LURJTMIESA-N -1 0 220.232 1.055 20 30 BDEDRM Cc1cc(CN(CC#N)CCC(=O)[O-])sn1 ZINC001600190954 978674020 /nfs/dbraw/zinc/67/40/20/978674020.db2.gz ROFNDBDUKXUKLE-UHFFFAOYSA-N -1 0 239.300 1.252 20 30 BDEDRM C#CCCCOC(=O)c1ncccc1C(=O)[O-] ZINC001602675860 979164676 /nfs/dbraw/zinc/16/46/76/979164676.db2.gz XDFVLLKSKLAFPE-UHFFFAOYSA-N -1 0 233.223 1.350 20 30 BDEDRM C=C(CC(C)C)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001602771888 979225586 /nfs/dbraw/zinc/22/55/86/979225586.db2.gz CZXRQGANIVPMPN-UHFFFAOYSA-N -1 0 225.288 1.522 20 30 BDEDRM C=C(CC)COC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001602774762 979226717 /nfs/dbraw/zinc/22/67/17/979226717.db2.gz VYZWGEWKCIOJLJ-DTORHVGOSA-N -1 0 212.245 1.607 20 30 BDEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001602775749 979226818 /nfs/dbraw/zinc/22/68/18/979226818.db2.gz ITTBVPBFRSVSMZ-DCAQKATOSA-N -1 0 239.315 1.910 20 30 BDEDRM C[C@@H](C#N)OC(=O)C1(CC(=O)[O-])CCC1 ZINC001602786057 979236141 /nfs/dbraw/zinc/23/61/41/979236141.db2.gz DAPSYHMOHGTTFI-ZETCQYMHSA-N -1 0 211.217 1.087 20 30 BDEDRM C=CC[C@H](OC(=O)[C@H]1CC12CC2)C(=O)[O-] ZINC001602844692 979301172 /nfs/dbraw/zinc/30/11/72/979301172.db2.gz FIWNJTKCCRSZEW-SFYZADRCSA-N -1 0 210.229 1.359 20 30 BDEDRM C=CC[C@@H](OC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC001602845976 979309151 /nfs/dbraw/zinc/30/91/51/979309151.db2.gz ZOZFCCXXLNDDHS-RGOKHQFPSA-N -1 0 224.256 1.605 20 30 BDEDRM C=CC[C@@H](OC(=O)CCc1ccoc1)C(=O)[O-] ZINC001602845810 979302747 /nfs/dbraw/zinc/30/27/47/979302747.db2.gz XGBPZYQGSLKSGZ-SNVBAGLBSA-N -1 0 238.239 1.785 20 30 BDEDRM C=CC[C@H]1CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001602855481 979313544 /nfs/dbraw/zinc/31/35/44/979313544.db2.gz RUIOJSPYSNHOGL-AEJSXWLSSA-N -1 0 223.272 1.274 20 30 BDEDRM C[C@@H](C#N)CNc1ncc(C(=O)[O-])s1 ZINC001603132011 979384562 /nfs/dbraw/zinc/38/45/62/979384562.db2.gz PNGXKFLBFPNJHN-YFKPBYRVSA-N -1 0 211.246 1.413 20 30 BDEDRM CC(C)(CCN=Nc1ncncc1F)C(=O)[O-] ZINC001603592349 979482381 /nfs/dbraw/zinc/48/23/81/979482381.db2.gz ZERRHXDNTGGTTN-UHFFFAOYSA-N -1 0 240.238 1.514 20 30 BDEDRM CCCCCCN(O)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001603640470 979492548 /nfs/dbraw/zinc/49/25/48/979492548.db2.gz ISKLVFBSYPAKMS-JTQLQIEISA-N -1 0 243.303 1.895 20 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/nfs/dbraw/zinc/51/86/17/604518617.db2.gz NRAYRXXUPBWVBF-UWVGGRQHSA-N -1 0 240.303 1.600 20 30 BDEDRM CC(C)(CNc1cccc(C#N)n1)C(=O)[O-] ZINC000167906375 604558827 /nfs/dbraw/zinc/55/88/27/604558827.db2.gz CVVMFJJALVSEIT-UHFFFAOYSA-N -1 0 219.244 1.476 20 30 BDEDRM N#Cc1c(F)cccc1NC1CN(C(=O)[O-])C1 ZINC000740310515 604634520 /nfs/dbraw/zinc/63/45/20/604634520.db2.gz HQJCVFVYCZPTIU-UHFFFAOYSA-N -1 0 235.218 1.471 20 30 BDEDRM C#CCCNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825608770 604820425 /nfs/dbraw/zinc/82/04/25/604820425.db2.gz KLPSFUOIBZZVPL-UHFFFAOYSA-N -1 0 235.214 1.277 20 30 BDEDRM CC(C)CNN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000378666298 604858306 /nfs/dbraw/zinc/85/83/06/604858306.db2.gz GNEHCDAGPPVYJK-UHFFFAOYSA-N -1 0 209.249 1.292 20 30 BDEDRM C[C@@H](SCc1ccnc(C#N)c1)C(=O)[O-] ZINC000082668293 604872831 /nfs/dbraw/zinc/87/28/31/604872831.db2.gz ODWHQXKJXMQUQJ-SSDOTTSWSA-N -1 0 222.269 1.660 20 30 BDEDRM C=CCNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000161146166 604999052 /nfs/dbraw/zinc/99/90/52/604999052.db2.gz CTRYADIIXOOZKS-UHFFFAOYSA-N -1 0 222.244 1.246 20 30 BDEDRM C#CCCCCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000236411227 605006666 /nfs/dbraw/zinc/00/66/66/605006666.db2.gz CCEYRRQWKSVKDL-UHFFFAOYSA-N -1 0 237.299 1.694 20 30 BDEDRM CC#CCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000168065233 605008936 /nfs/dbraw/zinc/00/89/36/605008936.db2.gz LUVUSTORKLICRF-VHSXEESVSA-N -1 0 223.272 1.017 20 30 BDEDRM C=CC[C@@H](C)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000163188694 605173738 /nfs/dbraw/zinc/17/37/38/605173738.db2.gz NZYBHYSBGQAMDY-MRVPVSSYSA-N -1 0 249.270 1.866 20 30 BDEDRM CC(C)(C#N)CCN1CCO[C@@H](CC(=O)[O-])C1 ZINC000091297334 605189334 /nfs/dbraw/zinc/18/93/34/605189334.db2.gz LLCAQXQNKICJDZ-JTQLQIEISA-N -1 0 240.303 1.102 20 30 BDEDRM C#CCCCCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000232714204 605214401 /nfs/dbraw/zinc/21/44/01/605214401.db2.gz DDOWZSUQGVRDCI-NSHDSACASA-N -1 0 225.288 1.405 20 30 BDEDRM CC#CCNC(=O)CC(C)(C)CC(=O)[O-] ZINC000167671699 605266214 /nfs/dbraw/zinc/26/62/14/605266214.db2.gz UTFOHTAUVKIBPV-UHFFFAOYSA-N -1 0 211.261 1.017 20 30 BDEDRM CC#CCCNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000158602389 605509348 /nfs/dbraw/zinc/50/93/48/605509348.db2.gz VOLRBQQJUHZPLT-UHFFFAOYSA-N -1 0 231.251 1.528 20 30 BDEDRM C#CCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000235628842 631264283 /nfs/dbraw/zinc/26/42/83/631264283.db2.gz VYZBAGMLYJCYPA-WDEREUQCSA-N -1 0 237.299 1.502 20 30 BDEDRM CC[C@H](CNC(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000087482974 631480980 /nfs/dbraw/zinc/48/09/80/631480980.db2.gz QSWRERDUYNWILM-SNVBAGLBSA-N -1 0 246.266 1.399 20 30 BDEDRM C#CCCCNc1cc(C(=O)[O-])ncn1 ZINC000308794513 631648440 /nfs/dbraw/zinc/64/84/40/631648440.db2.gz IMDKXMSSQYWHAX-UHFFFAOYSA-N -1 0 205.217 1.000 20 30 BDEDRM CC[C@@H](NN=C(C)c1ccoc1)C(=O)[O-] ZINC000308845136 631911724 /nfs/dbraw/zinc/91/17/24/631911724.db2.gz LYCRTEHDMXSTFW-SECBINFHSA-N -1 0 210.233 1.456 20 30 BDEDRM CC[C@H](NN=C1CCC[C@@H](OC)C1)C(=O)[O-] ZINC000309324286 632003877 /nfs/dbraw/zinc/00/38/77/632003877.db2.gz FZZROBHZQGRKOH-ZJUUUORDSA-N -1 0 228.292 1.384 20 30 BDEDRM CC[C@@H](NN=C1CCC12CCC2)C(=O)[O-] ZINC000308889276 632088887 /nfs/dbraw/zinc/08/88/87/632088887.db2.gz WYBBTGFDWRKLCH-MRVPVSSYSA-N -1 0 210.277 1.759 20 30 BDEDRM C#CCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000235299113 632636276 /nfs/dbraw/zinc/63/62/76/632636276.db2.gz VYZBAGMLYJCYPA-MNOVXSKESA-N -1 0 237.299 1.502 20 30 BDEDRM N#Cc1nccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC000310457458 632742490 /nfs/dbraw/zinc/74/24/90/632742490.db2.gz ZPUOIJYPLJDNEQ-SFYZADRCSA-N -1 0 232.243 1.013 20 30 BDEDRM C#CCCCCC(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000235507722 632769466 /nfs/dbraw/zinc/76/94/66/632769466.db2.gz QLLKPZQNIPNSAG-UWVGGRQHSA-N -1 0 225.288 1.405 20 30 BDEDRM CC(C)(CC#N)C[N-]C(=O)C(F)(F)F ZINC000306341776 635963307 /nfs/dbraw/zinc/96/33/07/635963307.db2.gz DQOGYVNUEFIRNI-UHFFFAOYSA-N -1 0 208.183 1.605 20 30 BDEDRM C=C1CC(C)(C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000909424371 636030299 /nfs/dbraw/zinc/03/02/99/636030299.db2.gz ZFENGBSSRRWYKJ-VIFPVBQESA-N -1 0 223.272 1.276 20 30 BDEDRM C#CCCCC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000909472019 636085704 /nfs/dbraw/zinc/08/57/04/636085704.db2.gz MIBMCCUHNIMQOL-JTQLQIEISA-N -1 0 223.272 1.159 20 30 BDEDRM C=CCC(C)(C)C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000909476929 636094927 /nfs/dbraw/zinc/09/49/27/636094927.db2.gz HLOOCBOVQAHBAG-VIFPVBQESA-N -1 0 227.304 1.816 20 30 BDEDRM C=CC[C@H](CO)CNc1cc(=O)[nH]c(C)n1 ZINC000893096769 633831984 /nfs/dbraw/zinc/83/19/84/633831984.db2.gz UJBJEDXEWJYLAV-VIFPVBQESA-N -1 0 223.276 1.087 20 30 BDEDRM C=C(C)COCCNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000909558894 636248237 /nfs/dbraw/zinc/24/82/37/636248237.db2.gz JWKPWCXZJDLLER-JTQLQIEISA-N -1 0 243.303 1.052 20 30 BDEDRM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000909650622 636372457 /nfs/dbraw/zinc/37/24/57/636372457.db2.gz JNFMTFPGQSAWLM-ZJUUUORDSA-N -1 0 245.278 1.507 20 30 BDEDRM C#CCn1[n-]c2c(c1=O)C[C@@H](C(C)C)CC2 ZINC000871961358 636545811 /nfs/dbraw/zinc/54/58/11/636545811.db2.gz PHHOCQSQTDXTLH-WDEREUQCSA-N -1 0 218.300 1.890 20 30 BDEDRM C#CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000088273607 636896706 /nfs/dbraw/zinc/89/67/06/636896706.db2.gz YTYGQAGVTCMNRV-JTQLQIEISA-N -1 0 240.303 1.056 20 30 BDEDRM CS(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1 ZINC000042279956 637138226 /nfs/dbraw/zinc/13/82/26/637138226.db2.gz FXFMWVUCZORSBI-UHFFFAOYSA-N -1 0 231.248 1.284 20 30 BDEDRM C=CCS(=O)(=O)c1nc(C(C)(C)C)c[nH]1 ZINC000905280526 637735420 /nfs/dbraw/zinc/73/54/20/637735420.db2.gz ITNJFEILOUBRNH-UHFFFAOYSA-N -1 0 228.317 1.667 20 30 BDEDRM C=CC1(CC(=O)NCC(=O)[O-])CCCCC1 ZINC000907543970 638399236 /nfs/dbraw/zinc/39/92/36/638399236.db2.gz SYQJWDBGIYKRSF-UHFFFAOYSA-N -1 0 225.288 1.714 20 30 BDEDRM C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000907597166 638416502 /nfs/dbraw/zinc/41/65/02/638416502.db2.gz HCHYGEWBTUQMDU-GXFFZTMASA-N -1 0 239.315 1.912 20 30 BDEDRM C=C[C@@H](CC)CC(=O)NC[C@@H](CC)C(=O)[O-] ZINC000907690282 638448675 /nfs/dbraw/zinc/44/86/75/638448675.db2.gz QYFOLIZAUPTLSQ-VHSXEESVSA-N -1 0 227.304 1.816 20 30 BDEDRM C=C[C@@H](CC)CC(=O)NC1CC(CC(=O)[O-])C1 ZINC000907775663 638468500 /nfs/dbraw/zinc/46/85/00/638468500.db2.gz AHKFPTPRGCEYFW-WHXUTIOJSA-N -1 0 239.315 1.958 20 30 BDEDRM C=CCCC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC000907931116 638506707 /nfs/dbraw/zinc/50/67/07/638506707.db2.gz GKYKAMXMSDGTEM-YTWAJWBKSA-N -1 0 237.299 1.568 20 30 BDEDRM C=CCCCN(CC)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000908220493 638601809 /nfs/dbraw/zinc/60/18/09/638601809.db2.gz VPJVYCNBOWJNOH-NXEZZACHSA-N -1 0 225.288 1.522 20 30 BDEDRM C=C(C)C(C)(C)C(=O)N[C@@H](CCC)C(=O)[O-] ZINC000908215871 638616493 /nfs/dbraw/zinc/61/64/93/638616493.db2.gz LZOGMWFRWPFSFC-VIFPVBQESA-N -1 0 227.304 1.958 20 30 BDEDRM C=C1CC(C)(C(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000908599154 639022607 /nfs/dbraw/zinc/02/26/07/639022607.db2.gz QAQLYEZDYDDSCY-JTQLQIEISA-N -1 0 237.299 1.666 20 30 BDEDRM C#CCCCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000908598788 639023404 /nfs/dbraw/zinc/02/34/04/639023404.db2.gz WYKOQMMULZFFHF-SNVBAGLBSA-N -1 0 223.272 1.113 20 30 BDEDRM C=C(C)C(C)(C)C(=O)N(C)CCCC(=O)[O-] ZINC000908634171 639033088 /nfs/dbraw/zinc/03/30/88/639033088.db2.gz JZWASTIICFNFHD-UHFFFAOYSA-N -1 0 227.304 1.912 20 30 BDEDRM C#CCCCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000908663264 639040800 /nfs/dbraw/zinc/04/08/00/639040800.db2.gz SMGGTQRIDWYPNC-SNVBAGLBSA-N -1 0 223.272 1.256 20 30 BDEDRM C=C[C@](C)(CC)C(=O)N(CC)CCC(=O)[O-] ZINC000908859839 639086509 /nfs/dbraw/zinc/08/65/09/639086509.db2.gz SABQIPKGUYZFEQ-GFCCVEGCSA-N -1 0 227.304 1.912 20 30 BDEDRM C=C(C)CCNC(=O)N(CCC)[C@@H](C)C(=O)[O-] ZINC000909030048 639120947 /nfs/dbraw/zinc/12/09/47/639120947.db2.gz GMLAMVWZDFZNRF-JTQLQIEISA-N -1 0 242.319 1.847 20 30 BDEDRM C=C(C)CCNC(=O)N[C@@H](C/C=C/C)C(=O)[O-] ZINC000909031356 639121298 /nfs/dbraw/zinc/12/12/98/639121298.db2.gz WQVGJQJMVUNLAR-YEZKRMTDSA-N -1 0 240.303 1.671 20 30 BDEDRM C=C1CCC(C(=O)N[C@@H](C(=O)[O-])C2CC2)CC1 ZINC000909042745 639124617 /nfs/dbraw/zinc/12/46/17/639124617.db2.gz JDQABDINBLACME-LLVKDONJSA-N -1 0 237.299 1.712 20 30 BDEDRM C=C1CCC(C(=O)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC000909042746 639124849 /nfs/dbraw/zinc/12/48/49/639124849.db2.gz JDQABDINBLACME-NSHDSACASA-N -1 0 237.299 1.712 20 30 BDEDRM C=CC[C@@H](C(=O)N[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000909130065 639153184 /nfs/dbraw/zinc/15/31/84/639153184.db2.gz DWMPWWJTDJEMMJ-CMPLNLGQSA-N -1 0 247.294 1.936 20 30 BDEDRM C=C(C)C(C)(C)C(=O)N(C)CCC(=O)[O-] ZINC000909165088 639166335 /nfs/dbraw/zinc/16/63/35/639166335.db2.gz BBPSPSWHAPBNHO-UHFFFAOYSA-N -1 0 213.277 1.522 20 30 BDEDRM C=C1CCC(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000909202877 639172463 /nfs/dbraw/zinc/17/24/63/639172463.db2.gz CLGYVFJGMLFVTR-VIFPVBQESA-N -1 0 225.288 1.570 20 30 BDEDRM C=CCC(C)(C)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000909214219 639175344 /nfs/dbraw/zinc/17/53/44/639175344.db2.gz RKRFSNYTLDGOBR-MRVPVSSYSA-N -1 0 213.277 1.426 20 30 BDEDRM C=C[C@@](C)(CC)C(=O)NCCSCC(=O)[O-] ZINC000909227891 639180560 /nfs/dbraw/zinc/18/05/60/639180560.db2.gz BLMJTEMWCUTGDD-NSHDSACASA-N -1 0 245.344 1.523 20 30 BDEDRM C=CCC(C)(C)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000909307057 639203385 /nfs/dbraw/zinc/20/33/85/639203385.db2.gz JPDHWVGUCWMJOZ-LBPRGKRZSA-N -1 0 243.278 1.614 20 30 BDEDRM C=CCC[C@@H](NC(=O)[C@H](OC)C(C)C)C(=O)[O-] ZINC000909714514 639206824 /nfs/dbraw/zinc/20/68/24/639206824.db2.gz YKBWWRCYCMSYKA-NXEZZACHSA-N -1 0 243.303 1.193 20 30 BDEDRM C=CCC[C@H](NC(=O)/C(=C/C)CC)C(=O)[O-] ZINC000909711737 639207218 /nfs/dbraw/zinc/20/72/18/639207218.db2.gz FKCHJMCUWBOSSM-CYNRKNSPSA-N -1 0 225.288 1.878 20 30 BDEDRM C=CCC[C@@H](NC(=O)C1(SC)CC1)C(=O)[O-] ZINC000909712160 639207267 /nfs/dbraw/zinc/20/72/67/639207267.db2.gz IEPGRNXXPNLJLY-MRVPVSSYSA-N -1 0 243.328 1.418 20 30 BDEDRM C=CCC[C@H](NC(=O)C1(C2CC2)CC1)C(=O)[O-] ZINC000909714951 639207440 /nfs/dbraw/zinc/20/74/40/639207440.db2.gz JGUJVRJTUBMZDK-JTQLQIEISA-N -1 0 237.299 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